8QA6
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![BU of 8qa6 by Molmil](/molmil-images/mine/8qa6) | MTHFR + SAM inhibited state | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Methylenetetrahydrofolate reductase (NADPH), S-ADENOSYLMETHIONINE | Authors: | Blomgren, L.K.M, Yue, W.W, Froese, D.S, McCorvie, T.J. | Deposit date: | 2023-08-22 | Release date: | 2023-11-08 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (2.91 Å) | Cite: | Dynamic inter-domain transformations mediate the allosteric regulation of human 5, 10-methylenetetrahydrofolate reductase. Nat Commun, 15, 2024
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8QA5
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![BU of 8qa5 by Molmil](/molmil-images/mine/8qa5) | MTHFR + SAH asymmetric dis-inhibited state | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Methylenetetrahydrofolate reductase (NADPH), S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Blomgren, L.K.M, Yue, W.W, Froese, D.S, McCorvie, T.J. | Deposit date: | 2023-08-22 | Release date: | 2023-11-08 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (3.14 Å) | Cite: | Dynamic inter-domain transformations mediate the allosteric regulation of human 5, 10-methylenetetrahydrofolate reductase. Nat Commun, 15, 2024
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4UYB
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![BU of 4uyb by Molmil](/molmil-images/mine/4uyb) | Crystal structure of SEC14-like protein 3 | Descriptor: | 1,2-ETHANEDIOL, SEC14-LIKE PROTEIN 3, UNKNOWN LIGAND | Authors: | Kopec, J, Goubin, S, Krojer, T, Burgess-Brown, N, von Delft, F, Arrowsmith, C, Edwards, A, Bountra, C, Yue, W.W. | Deposit date: | 2014-08-29 | Release date: | 2014-09-24 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal Structure of Sec14-Like Protein 3 To be Published
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4V06
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![BU of 4v06 by Molmil](/molmil-images/mine/4v06) | Crystal structure of human tryptophan hydroxylase 2 (TPH2), catalytic domain | Descriptor: | FE (III) ION, IMIDAZOLE, TRYPTOPHAN 5-HYDROXYLASE 2 | Authors: | Kopec, J, Oberholzer, A, Fitzpatrick, F, Newman, J, Tallant, C, Kiyani, W, Shrestha, L, Burgess-Brown, N, von Delft, F, Arrowsmith, C, Edwards, A, Bountra, C, Yue, W.W. | Deposit date: | 2014-09-11 | Release date: | 2014-10-15 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.63 Å) | Cite: | Crystal Structure of Human Tryptophane Hydroxylase 2 (Tph2), Catalytic Domain To be Published
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2JKU
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![BU of 2jku by Molmil](/molmil-images/mine/2jku) | Crystal structure of the N-terminal region of the biotin acceptor domain of human propionyl-CoA carboxylase | Descriptor: | PROPIONYL-COA CARBOXYLASE ALPHA CHAIN, MITOCHONDRIAL, TETRAETHYLENE GLYCOL | Authors: | Healy, S, Yue, W.W, Kochan, G, Pilka, E.S, Murray, J.W, Roos, A.K, Filippakopoulos, P, von Delft, F, Arrowsmith, C, Wikstrom, M, Edwards, A, Bountra, C, Gravel, R.A, Oppermann, U. | Deposit date: | 2008-08-30 | Release date: | 2008-09-09 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural impact of human and Escherichia coli biotin carboxyl carrier proteins on biotin attachment. Biochemistry, 49, 2010
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8DDA
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![BU of 8dda by Molmil](/molmil-images/mine/8dda) | Crystal structure of human aminoadipate semialdehyde synthase (AASS), lysine ketoglutarate reductase (LKR) domain | Descriptor: | Alpha-aminoadipic semialdehyde synthase, mitochondrial, SULFATE ION | Authors: | Muniz, J.R.C, Kopec, J, Rembeza, E, Burgess-Brown, N, Bountra, C, Yue, W.W. | Deposit date: | 2022-06-17 | Release date: | 2023-07-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of human aminoadipate semialdehyde synthase (AASS), lysine ketoglutarate reductase (LKR) domain To Be Published
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4UEG
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![BU of 4ueg by Molmil](/molmil-images/mine/4ueg) | Crystal structure of human glycogenin-2 catalytic domain | Descriptor: | GLYCOGENIN-2, MAGNESIUM ION | Authors: | Fairhead, M, Strain-Damerell, C, Krojer, T, Froese, D.S, Kopec, J, Nowak, R, Burgess-Brown, N, von Delft, F, Arrowsmith, C, Edwards, A, Bountra, C, Yue, W.W. | Deposit date: | 2014-12-17 | Release date: | 2014-12-24 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Crystal Structure of Human Glycogenin-2 Catalytic Domain To be Published
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4UUU
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![BU of 4uuu by Molmil](/molmil-images/mine/4uuu) | 1.7 A resolution structure of human cystathionine beta-synthase regulatory domain (del 516-525) in complex with SAM | Descriptor: | 1,2-ETHANEDIOL, CYSTATHIONINE BETA-SYNTHASE, S-ADENOSYLMETHIONINE | Authors: | Kopec, J, McCorvie, T.J, Fitzpatrick, F, Strain-Damerell, C, Froese, D.S, Tallant, C, Burgess-Brown, N, Arrowsmith, C, Edwards, A, Bountra, C, Yue, W.W. | Deposit date: | 2014-07-31 | Release date: | 2014-08-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Inter-Domain Communication of Human Cystathionine Beta Synthase: Structural Basis of S-Adenosyl-L-Methionine Activation. J.Biol.Chem., 289, 2014
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4HAS
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![BU of 4has by Molmil](/molmil-images/mine/4has) | Crystal structure of PX domain of human sorting nexin SNX27 | Descriptor: | 1,2-ETHANEDIOL, CITRIC ACID, Sorting nexin-27 | Authors: | Froese, D.S, Krojer, T, Strain-Damerell, C, Allerston, C, Kiyani, W, Burgess-Brown, N, von Delft, F, Arrowsmith, C, Bountra, C, Edwards, A, Yue, W.W, Structural Genomics Consortium (SGC) | Deposit date: | 2012-09-27 | Release date: | 2013-04-24 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Crystal structure of PX domain of human sorting nexin SNX27 To be Published
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7OZX
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![BU of 7ozx by Molmil](/molmil-images/mine/7ozx) | Structure of human galactokinase 1 bound with azepan-1-yl(2,6-difluorophenyl)methanone | Descriptor: | (azepan-1-yl)(2,6-difluorophenyl)methanone, 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one, Galactokinase, ... | Authors: | Mackinnon, S.R, Bezerra, G.A, Zhang, M, Foster, W, Krojer, T, Brandao-Neto, J, Arrowsmith, C, Edwards, A, Bountra, C, Brennan, P, Lai, K, Yue, W.W. | Deposit date: | 2021-06-29 | Release date: | 2022-05-25 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of human galactokinase 1 bound with azepan-1-yl(2,6-difluorophenyl)methanone To Be Published
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5FII
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![BU of 5fii by Molmil](/molmil-images/mine/5fii) | Structure of a human aspartate kinase, chorismate mutase and TyrA domain. | Descriptor: | PHENYLALANINE, PHENYLALANINE-4-HYDROXYLASE | Authors: | Patel, D, Kopec, J, Shrestha, L, Fitzpatrick, F, Pinkas, D, Chaikuad, A, Dixon-Clarke, S, McCorvie, T.J, Burgess-Brown, N, von Delft, F, Arrowsmith, C, Edwards, A, Bountra, C, Yue, W.W. | Deposit date: | 2015-09-25 | Release date: | 2016-03-30 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural Basis for Ligand-Dependent Dimerization of Phenylalanine Hydroxylase Regulatory Domain. Sci.Rep., 6, 2016
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5L76
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![BU of 5l76 by Molmil](/molmil-images/mine/5l76) | Crystal structure of human aminoadipate semialdehyde synthase, saccharopine dehydrogenase domain (in apo form) | Descriptor: | 1,2-ETHANEDIOL, Alpha-aminoadipic semialdehyde synthase, mitochondrial, ... | Authors: | Kopec, J, Pena, I.A, Rembeza, E, Strain-Damerell, C, Chalk, R, Borkowska, O, Goubin, S, Velupillai, S, Burgess-Brown, N, Arrowsmith, C, Edwards, A, Bountra, C, Arruda, P, Yue, W.W. | Deposit date: | 2016-06-02 | Release date: | 2017-05-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | Crystal structure of human aminoadipate semialdehyde synthase, saccharopine dehydrogenase domain (in apo form) To Be Published
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5L78
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![BU of 5l78 by Molmil](/molmil-images/mine/5l78) | Crystal structure of human aminoadipate semialdehyde synthase, saccharopine dehydrogenase domain (in NAD+ bound form) | Descriptor: | 1,2-ETHANEDIOL, Alpha-aminoadipic semialdehyde synthase, mitochondrial, ... | Authors: | Kopec, J, Pena, I.A, Rembeza, E, Strain-Damerell, C, Chalk, R, Borkowska, O, Goubin, S, Velupillai, S, Burgess-Brown, N, Arrowsmith, C, Edwards, A, Bountra, C, Arruda, P, Yue, W.W. | Deposit date: | 2016-06-02 | Release date: | 2017-05-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | Crystal structure of human aminoadipate semialdehyde synthase, saccharopine dehydrogenase domain (in NAD+ bound form) To Be Published
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5MPO
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![BU of 5mpo by Molmil](/molmil-images/mine/5mpo) | Crystal structure of human molybdopterin synthase complex | Descriptor: | Molybdopterin synthase catalytic subunit, Molybdopterin synthase sulfur carrier subunit | Authors: | Kopec, J, Bailey, H, Fitzpatrick, F, Strain-Damerell, C, Oberholzer, A.E, Williams, E, Burgess-Brown, N, von Delft, F, Arrowsmith, C, Edwards, A, Bountra, C, Yue, W.W. | Deposit date: | 2016-12-16 | Release date: | 2016-12-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Crystal structure of human molybdopterin synthase complex To Be Published
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7Q12
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![BU of 7q12 by Molmil](/molmil-images/mine/7q12) | Human GYS1-GYG1 complex activated state bound to glucose-6-phosphate | Descriptor: | 6-O-phosphono-alpha-D-glucopyranose, Glycogen [starch] synthase, muscle, ... | Authors: | McCorvie, T.J, Shrestha, L, Froese, D.S, Ferreira, I.M, Yue, W.W. | Deposit date: | 2021-10-17 | Release date: | 2022-07-27 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Molecular basis for the regulation of human glycogen synthase by phosphorylation and glucose-6-phosphate. Nat.Struct.Mol.Biol., 29, 2022
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7Q0B
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![BU of 7q0b by Molmil](/molmil-images/mine/7q0b) | Human GYS1-GYG1 complex inhibited state | Descriptor: | Glycogen [starch] synthase, muscle, Glycogenin-1 | Authors: | McCorvie, T.J, Shrestha, L, Froese, D.S, Ferreira, I.M, Yue, W.W. | Deposit date: | 2021-10-14 | Release date: | 2022-07-27 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Molecular basis for the regulation of human glycogen synthase by phosphorylation and glucose-6-phosphate. Nat.Struct.Mol.Biol., 29, 2022
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7Q0S
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![BU of 7q0s by Molmil](/molmil-images/mine/7q0s) | Human GYS1-GYG1 complex inhibited-like state bound to glucose-6-phosphate | Descriptor: | 6-O-phosphono-alpha-D-glucopyranose, Glycogen [starch] synthase, muscle, ... | Authors: | McCorvie, T.J, Shrestha, L, Froese, D.S, Ferreira, I.M, Yue, W.W. | Deposit date: | 2021-10-16 | Release date: | 2022-07-27 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Molecular basis for the regulation of human glycogen synthase by phosphorylation and glucose-6-phosphate. Nat.Struct.Mol.Biol., 29, 2022
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7Q13
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![BU of 7q13 by Molmil](/molmil-images/mine/7q13) | Human GYS1-GYG1 complex activated state bound to glucose-6-phosphate, uridine diphosphate, and glucose | Descriptor: | 6-O-phosphono-alpha-D-glucopyranose, Glycogen [starch] synthase, muscle, ... | Authors: | McCorvie, T.J, Shrestha, L, Froese, D.S, Ferreira, I.M, Yue, W.W. | Deposit date: | 2021-10-17 | Release date: | 2022-07-27 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Molecular basis for the regulation of human glycogen synthase by phosphorylation and glucose-6-phosphate. Nat.Struct.Mol.Biol., 29, 2022
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7R4N
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![BU of 7r4n by Molmil](/molmil-images/mine/7r4n) | Structure of human hydroxyacid oxidase 1 bound with 5-bromo-N-methyl-1H-indazole-3-carboxamide | Descriptor: | 1,2-ETHANEDIOL, 5-bromanyl-N-methyl-1H-indazole-3-carboxamide, FLAVIN MONONUCLEOTIDE, ... | Authors: | Mackinnon, S, Bezerra, G.A, Krojer, T, Bradley, A.R, Talon, R, Brandeo-Neto, J, Douangamath, A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Oppermann, U, Brennan, P.E, Yue, W.W. | Deposit date: | 2022-02-08 | Release date: | 2022-03-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure of human hydroxyacid oxidase 1 bound with 5-bromo-N-methyl-1H-indazole-3-carboxamide To Be Published
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7R4O
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![BU of 7r4o by Molmil](/molmil-images/mine/7r4o) | Structure of human hydroxyacid oxidase 1 bound with 2-((4H-1,2,4-triazol-3-yl)thio)-1-(4-(3-chlorophenyl)piperazin-1-yl)ethan-1-one | Descriptor: | 2-((4H-1,2,4-triazol-3-yl)thio)-1-(4-(3-chlorophenyl)piperazin-1-yl)ethan-1-one, FLAVIN MONONUCLEOTIDE, Hydroxyacid oxidase 1 | Authors: | Mackinnon, S, Bezerra, G.A, Krojer, T, Bradley, A.R, Talon, R, Brandeo-Neto, J, Douangamath, A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Oppermann, U, Brennan, P.E, Yue, W.W. | Deposit date: | 2022-02-08 | Release date: | 2022-05-04 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure of human hydroxyacid oxidase 1 bound with 5-bromo-N-methyl-1H-indazole-3-carboxamide To Be Published
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7R4P
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![BU of 7r4p by Molmil](/molmil-images/mine/7r4p) | Structure of human hydroxyacid oxidase 1 bound with 6-amino-1-benzyl-5-(methylamino)pyrimidine-2,4(1H,3H)-dione | Descriptor: | 6-amino-1-benzyl-5-(methylamino)pyrimidine-2,4(1H,3H)-dione, FLAVIN MONONUCLEOTIDE, Hydroxyacid oxidase 1 | Authors: | Mackinnon, S, Bezerra, G.A, Krojer, T, Bradley, A.R, Talon, R, Brandeo-Neto, J, Douangamath, A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Oppermann, U, Brennan, P.E, Yue, W.W. | Deposit date: | 2022-02-09 | Release date: | 2022-05-04 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | Structure of human hydroxyacid oxidase 1 bound with 5-bromo-N-methyl-1H-indazole-3-carboxamide To Be Published
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7ARA
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![BU of 7ara by Molmil](/molmil-images/mine/7ara) | Rhinovirus A2 2A protease in complex with zVAM.fmk | Descriptor: | (phenylmethyl) ~{N}-[(2~{R})-3-methyl-1-[[(2~{S})-1-[[(3~{S})-1-methylsulfanyl-4-oxidanylidene-pentan-3-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-butan-2-yl]carbamate, (phenylmethyl) ~{N}-[(2~{S})-3-methyl-1-[[(2~{R})-1-[[(3~{R})-1-methylsulfanyl-4-oxidanylidene-pentan-3-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-butan-2-yl]carbamate, 2A protease, ... | Authors: | Deutschmann-Olek, K.M, Skern, T, Bezerra, G.A, Yue, W.W. | Deposit date: | 2020-10-23 | Release date: | 2021-07-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.243 Å) | Cite: | Defining substrate selection by rhinoviral 2A proteinase through its crystal structure with the inhibitor zVAM.fmk. Virology, 562, 2021
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7ZEJ
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![BU of 7zej by Molmil](/molmil-images/mine/7zej) | Crystal structure of the human MGC45594 gene product in complex with celecoxib. | Descriptor: | 4-[5-(4-METHYLPHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]BENZENESULFONAMIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Prostaglandin reductase 3 | Authors: | Shafqat, N, Yue, W.W, Koekemoer, L, Niesen, F, Ugochukwu, E, Vollmar, M, Weigelt, J, Krojer, T, Pike, A, Chaikaud, A, Von Delft, F, Arrowsmith, C, Bountra, C, Edwards, A, Opperman, U, Structural Genomics Consortium (SGC) | Deposit date: | 2022-03-31 | Release date: | 2022-05-04 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Human prostaglandin/alkenal reductases: substrate specificities, inhibitor profiles, structural insights and subcellular localization suggest protective roles in inflammatory and oxidative stress conditions. To Be Published
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5AK8
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![BU of 5ak8 by Molmil](/molmil-images/mine/5ak8) | Structure of C351A mutant of Porphyromonas gingivalis peptidylarginine deiminase | Descriptor: | 1,2-ETHANEDIOL, ALANINE, ARGININE, ... | Authors: | Kopec, J, Montgomery, A, Shrestha, L, Kiyani, W, Nowak, R, Burgess-Brown, N, Venables, P.J, Yue, W.W. | Deposit date: | 2015-03-02 | Release date: | 2015-07-22 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Crystal Structure of Porphyromonas Gingivalis Peptidylarginine Deiminase: Implications for Autoimmunity in Rheumatoid Arthritis. Ann.Rheum.Dis., 75, 2016
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5A4R
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![BU of 5a4r by Molmil](/molmil-images/mine/5a4r) | Crystal structure of a vitamin B12 trafficking protein | Descriptor: | METHYLMALONIC ACIDURIA AND HOMOCYSTINURIA TYPE D HOMOLOG, MITOCHONDRIAL | Authors: | Kopec, J, Fitzpatrick, F, Froese, D.S, Velupillai, S, Nowak, R, Chalk, R, Burgess-Brown, N, von Delft, F, Arrowsmith, C, Edwards, A, Bountra, C, Fowler, B, Baumgartner, M.R, Yue, W.W. | Deposit date: | 2015-06-11 | Release date: | 2015-10-28 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structural Insights Into the Mmachc-Mmadhc Protein Complex Involved in Vitamin B12 Trafficking. J.Biol.Chem., 290, 2015
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