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6ZGW
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BU of 6zgw by Molmil
Structure of human galactokinase 1 bound with (4-chlorophenyl)methyl pyridine-3-carboxylate
Descriptor: (4-chlorophenyl)methyl pyridine-3-carboxylate, 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, Douangamath, A, Arrowsmith, C, Edwards, A, Bountra, C, Brennan, P, Lai, K, Yue, W.W.
Deposit date:2020-06-20
Release date:2020-07-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Fragment Screening Reveals Starting Points for Rational Design of Galactokinase 1 Inhibitors to Treat Classic Galactosemia.
Acs Chem.Biol., 16, 2021
6ZFH
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BU of 6zfh by Molmil
Structure of human galactokinase in complex with galactose and 2'-(benzo[d]oxazol-2-ylamino)-7',8'-dihydro-1'H-spiro[cyclopentane-1,4'-quinazolin]-5'(6'H)-one
Descriptor: 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclopentane]-5-one, Galactokinase, beta-D-galactopyranose
Authors:Bezerra, G.A, Mackinnon, S, Zhang, M, Foster, W, Bailey, H, Arrowsmith, C, Edwards, A, Bountra, C, Lai, K, Yue, W.W, Structural Genomics Consortium (SGC)
Deposit date:2020-06-17
Release date:2021-06-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.439 Å)
Cite:Fragment Screening Reveals Starting Points for Rational Design of Galactokinase 1 Inhibitors to Treat Classic Galactosemia.
Acs Chem.Biol., 16, 2021
6ZH0
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BU of 6zh0 by Molmil
Structure of human galactokinase 1 bound with 2-(4-chlorophenyl)-N-(pyrimidin-2-yl)acetamide
Descriptor: 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one, Galactokinase, N-(3-chlorophenyl)-2,2,2-trifluoroacetamide, ...
Authors:Mackinnon, S.R, Bezerra, G.A, Zhang, M, Foster, W, Krojer, T, Brandao-Neto, J, Douangamath, A, Arrowsmith, C, Edwards, A, Bountra, C, Brennan, P, Lai, K, Yue, W.W.
Deposit date:2020-06-20
Release date:2022-06-01
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Fragment Screening Reveals Starting Points for Rational Design of Galactokinase 1 Inhibitors to Treat Classic Galactosemia.
Acs Chem.Biol., 16, 2021
6NZU
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BU of 6nzu by Molmil
Structure of the human frataxin-bound iron-sulfur cluster assembly complex
Descriptor: Acyl carrier protein, Cysteine desulfurase, mitochondrial, ...
Authors:Fox, N.G, Yu, X, Xidong, F, Alain, M, Joseph, N, Claire, S.D, Christine, B, Han, S, Yue, W.W.
Deposit date:2019-02-14
Release date:2019-05-22
Last modified:2019-07-10
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structure of the human frataxin-bound iron-sulfur cluster assembly complex provides insight into its activation mechanism.
Nat Commun, 10, 2019
6ZGV
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BU of 6zgv by Molmil
Structure of human galactokinase 1 bound with 2-(4-chlorophenyl)-N-(pyrimidin-2-yl)acetamide
Descriptor: 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one, 2-(4-chlorophenyl)-~{N}-pyrimidin-2-yl-ethanamide, Galactokinase, ...
Authors:Mackinnon, S.R, Bezerra, G.A, Zhang, M, Foster, W, Krojer, T, Brandao-Neto, J, Douangamath, A, Arrowsmith, C, Edwards, A, Bountra, C, Brennan, P, Lai, K, Yue, W.W.
Deposit date:2020-06-20
Release date:2020-07-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Fragment Screening Reveals Starting Points for Rational Design of Galactokinase 1 Inhibitors to Treat Classic Galactosemia.
Acs Chem.Biol., 16, 2021
7ARA
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BU of 7ara by Molmil
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
5MPO
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BU of 5mpo by Molmil
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
5O1O
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BU of 5o1o by Molmil
Crystal structure of human aminoadipate semialdehyde synthase, saccharopine dehydrogenase domain with proline bound.
Descriptor: 1,2-ETHANEDIOL, Alpha-aminoadipic semialdehyde synthase, mitochondrial, ...
Authors:Kopec, J, Rembeza, E, Pena, I.A, Mathea, S, Velupillai, S, Strain-Damerell, C, Goubin, S, Kupinska, K, Talon, R, Collins, P, Krojer, T, Burgess-Brown, N, Arrowsmith, C, Edwards, A, Bountra, C, von Delft, F, Arruda, P, Yue, W.W.
Deposit date:2017-05-18
Release date:2017-06-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Crystal structure of human aminoadipate semialdehyde synthase, saccharopine dehydrogenase domain with proline bound.
To Be Published
5O1P
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BU of 5o1p by Molmil
Crystal structure of human aminoadipate semialdehyde synthase, saccharopine dehydrogenase.
Descriptor: 1,2-ETHANEDIOL, Alpha-aminoadipic semialdehyde synthase, mitochondrial, ...
Authors:Kopec, J, Rembeza, E, Pena, I.A, Williams, E, Velupillai, S, Kupinska, K, Strain-Damerell, C, Goubin, S, Talon, R, Collins, P, Krojer, T, Burgess-Brown, N, Arrowsmith, C, Edwards, A, Bountra, C, von Delft, F, Arruda, P, Yue, W.W.
Deposit date:2017-05-18
Release date:2017-06-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of human aminoadipate semialdehyde synthase, saccharopine dehydrogenase.
To Be Published
5O1N
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BU of 5o1n by Molmil
Crystal structure of human aminoadipate semialdehyde synthase, saccharopine dehydrogenase domain with N-[(2S)-2-Pyrrolidinylmethyl]-trifluoromethanesulfonamide bound
Descriptor: 1,1,1-tris(fluoranyl)-~{N}-[[(2~{S})-pyrrolidin-2-yl]methyl]methanesulfonamide, 1,2-ETHANEDIOL, Alpha-aminoadipic semialdehyde synthase, ...
Authors:Kopec, J, Rembeza, E, Pena, I.A, Strain-Damerell, C, Goubin, S, Sethi, R, Velupillai, S, Talon, R, Collins, P, Krojer, T, McLaughlin, M, Burgess-Brown, N, Arrowsmith, C, Edwards, A, Bountra, C, Brennan, P, von Delft, F, Arruda, P, Yue, W.W.
Deposit date:2017-05-18
Release date:2017-05-31
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Crystal structure of human aminoadipate semialdehyde synthase, saccharopine dehydrogenase domain with N-[(2S)-2-Pyrrolidinylmethyl]-trifluoromethanesulfonamide bound
To Be Published
5NFJ
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BU of 5nfj by Molmil
Crystal structure of the methyltransferase subunit of human mitochondrial Ribonuclease P (MRPP1) bound to S-adenosyl-methionine (SAM)
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Mitochondrial ribonuclease P protein 1, ...
Authors:Oerum, S, Kopec, J, Fitzpatrick, F, Newman, J.A, Chalk, R, Shrestha, L, Fairhead, M, Talon, R, Burgess-Brown, N, von Delft, F, Arrowsmith, C, Edwards, C, Bountra, C, Oppermann, U, Yue, W.W, Structural Genomics Consortium (SGC)
Deposit date:2017-03-14
Release date:2018-05-16
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Crystal structure of the methyltransferase subunit of human mitochondrial Ribonuclease P (MRPP1) bound to S-adenosyl-methionine (SAM)
To Be Published
7R51
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BU of 7r51 by Molmil
Structure of P. gingivalis DPP11 in complex with the dipeptide Arg-Asp
Descriptor: ARG-ASP, Asp/Glu-specific dipeptidyl-peptidase
Authors:Tham, C.T, Coker, J.A, Foster, W.R, Ohara-Nemoto, Y, Nemoto, T.K, Yue, W.W, Bountra, C, Bezerra, G.A.
Deposit date:2022-02-09
Release date:2022-05-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.808 Å)
Cite:Structure of P. gingivalis DPP11 in complex with the dipeptide Arg-Asp
To Be Published
5L76
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BU of 5l76 by Molmil
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
5L78
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BU of 5l78 by Molmil
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
8S5I
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BU of 8s5i by Molmil
Full-length human cystathionine beta-synthase with C-terminal 6xHis-tag, basal state, single particle reconstruction
Descriptor: Cystathionine beta-synthase, PROTOPORPHYRIN IX CONTAINING FE
Authors:McCorvie, T.J, Yue, W.W.
Deposit date:2024-02-23
Release date:2024-04-17
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Architecture and regulation of filamentous human cystathionine beta-synthase.
Nat Commun, 15, 2024
8S5L
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BU of 8s5l by Molmil
Full-length human cystathionine beta-synthase, basal state, partially degraded tetramer
Descriptor: Cystathionine beta-synthase, PROTOPORPHYRIN IX CONTAINING FE, PYRIDOXAL-5'-PHOSPHATE
Authors:McCorvie, T.J, Yue, W.W.
Deposit date:2024-02-23
Release date:2024-04-17
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Architecture and regulation of filamentous human cystathionine beta-synthase.
Nat Commun, 15, 2024
8S5J
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BU of 8s5j by Molmil
Full-length human cystathionine beta-synthase, basal state, helical reconstruction
Descriptor: Cystathionine beta-synthase, PROTOPORPHYRIN IX CONTAINING FE
Authors:McCorvie, T.J, Yue, W.W.
Deposit date:2024-02-23
Release date:2024-04-17
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Architecture and regulation of filamentous human cystathionine beta-synthase.
Nat Commun, 15, 2024
8S5K
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BU of 8s5k by Molmil
Full-length human cystathionine beta-synthase, basal state, single particle reconstruction
Descriptor: Cystathionine beta-synthase, PROTOPORPHYRIN IX CONTAINING FE
Authors:McCorvie, T.J, Yue, W.W.
Deposit date:2024-02-23
Release date:2024-04-17
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Architecture and regulation of filamentous human cystathionine beta-synthase.
Nat Commun, 15, 2024
8S5H
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BU of 8s5h by Molmil
Full-length human cystathionine beta-synthase with C-terminal 6xHis-tag, basal state, helical reconstruction
Descriptor: Cystathionine beta-synthase, PROTOPORPHYRIN IX CONTAINING FE
Authors:McCorvie, T.J, Yue, W.W.
Deposit date:2024-02-23
Release date:2024-04-17
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Architecture and regulation of filamentous human cystathionine beta-synthase.
Nat Commun, 15, 2024
8S5M
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BU of 8s5m by Molmil
Full-length human cystathionine beta-synthase with C-terminal 6xHis-tag, SAM bound, activated state, helical reconstruction
Descriptor: Cystathionine beta-synthase, S-ADENOSYLMETHIONINE
Authors:McCorvie, T.J, Yue, W.W.
Deposit date:2024-02-23
Release date:2024-04-17
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Architecture and regulation of filamentous human cystathionine beta-synthase.
Nat Commun, 15, 2024
2JKU
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BU of 2jku by Molmil
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
6EQJ
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BU of 6eqj by Molmil
Crystal Structure of Human Glycogenin-1 (GYG1) Tyr195pIPhe mutant, apo form
Descriptor: 1,2-ETHANEDIOL, Glycogenin-1
Authors:Bailey, H.J, Kopec, J, Bilyard, M.K, Bezerra, G.A, Seo Lee, S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Davis, B.G, Yue, W.W.
Deposit date:2017-10-13
Release date:2017-12-20
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Palladium-mediated enzyme activation suggests multiphase initiation of glycogenesis.
Nature, 563, 2018
6EQL
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BU of 6eql by Molmil
Crystal Structure of Human Glycogenin-1 (GYG1) Tyr195pIPhe mutant complexed with manganese and UDP
Descriptor: 1,2-ETHANEDIOL, Glycogenin-1, MANGANESE (II) ION, ...
Authors:Bailey, H.J, Kopec, J, Bilyard, M.K, Bezerra, G.A, Seo Lee, S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Davis, B.G, Yue, W.W.
Deposit date:2017-10-13
Release date:2017-12-20
Last modified:2018-11-14
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Palladium-mediated enzyme activation suggests multiphase initiation of glycogenesis.
Nature, 563, 2018
6FCX
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BU of 6fcx by Molmil
Structure of human 5,10-methylenetetrahydrofolate reductase (MTHFR)
Descriptor: CITRIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, Methylenetetrahydrofolate reductase, ...
Authors:Kopec, J, Bezerra, G.A, Oberholzer, A.E, Rembeza, E, Sorrell, F.J, Chalk, R, Borkowska, O, Ellis, K, Kupinska, K, Krojer, T, Burgess-Brown, N, Von Delft, F, Arrowsmith, C, Edwards, A, Bountra, C, Froese, D.S, Baumgartner, M, Yue, W.W, Structural Genomics Consortium (SGC)
Deposit date:2017-12-21
Release date:2018-05-16
Last modified:2018-07-04
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for the regulation of human 5,10-methylenetetrahydrofolate reductase by phosphorylation and S-adenosylmethionine inhibition.
Nat Commun, 9, 2018
6FNU
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BU of 6fnu by Molmil
Structure of S. cerevisiae Methylenetetrahydrofolate reductase 1, catalytic domain
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Methylenetetrahydrofolate reductase 1
Authors:Kopec, J, Rembeza, E, Bezerra, G.A, Newman, J, Bountra, C, Froese, D.S, Baumgartner, M, Yue, W.W, Structural Genomics Consortium (SGC)
Deposit date:2018-02-05
Release date:2018-03-07
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Structural basis for the regulation of human 5,10-methylenetetrahydrofolate reductase by phosphorylation and S-adenosylmethionine inhibition.
Nat Commun, 9, 2018

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数据于2024-06-26公开中

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