1JRC
 
 | | The N67A mutant of Lactococcus lactis dihydroorotate dehydrogenase A | | Descriptor: | FLAVIN MONONUCLEOTIDE, OROTIC ACID, dihydroorotate dehydrogenase A | | Authors: | Norager, S, Arent, S, Bjornberg, O, Ottosen, M, Lo Leggio, L, Jensen, K.F, Larsen, S. | | Deposit date: | 2001-08-13 | | Release date: | 2003-09-09 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Lactococcus lactis dihydroorotate dehydrogenase A mutants reveal important facets of the enzymatic function
J.Biol.Chem., 278, 2003
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1JUE
 | | 1.8 A resolution structure of native lactococcus lactis dihydroorotate dehydrogenase A | | Descriptor: | ACETIC ACID, FLAVIN MONONUCLEOTIDE, GLYCEROL, ... | | Authors: | Norager, S, Arent, S, Bjornberg, O, Ottosen, M, Lo Leggio, L, Jensen, K.F, Larsen, S. | | Deposit date: | 2001-08-24 | | Release date: | 2003-09-09 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Lactococcus lactis dihydroorotate dehydrogenase A mutants reveal important facets of the enzymatic function
J.Biol.Chem., 278, 2003
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3EYH
 | | Crystal structures of JAK1 and JAK2 inhibitor complexes | | Descriptor: | 2-TERT-BUTYL-9-FLUORO-3,6-DIHYDRO-7H-BENZ[H]-IMIDAZ[4,5-F]ISOQUINOLINE-7-ONE, Tyrosine-protein kinase | | Authors: | Williams, N.K, Bamert, R.S, Patell, O, Wang, C, Walden, P.M, Fantino, E. | | Deposit date: | 2008-10-20 | | Release date: | 2009-02-03 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Dissecting specificity in the Janus kinases: the structures of JAK-specific inhibitors complexed to the JAK1 and JAK2 protein tyrosine kinase domains.
J.Mol.Biol., 387, 2009
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6JKC
 | | Crystal structure of tetrameric PepTSo2 in P4212 space group | | Descriptor: | Proton:oligopeptide symporter POT family | | Authors: | Nagamura, R, Fukuda, M, Ishitani, R, Nureki, O. | | Deposit date: | 2019-02-28 | | Release date: | 2019-05-15 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Structural basis for oligomerization of the prokaryotic peptide transporter PepTSo2.
Acta Crystallogr.,Sect.F, 75, 2019
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7SOX
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6JLG
 | | Crystal Structure of HasAp with Co-9,10,19,20-Tetraphenylporphycene | | Descriptor: | GLYCEROL, Heme acquisition protein HasA, PHOSPHATE ION, ... | | Authors: | Sakakibara, E, Shisaka, Y, Onoda, H, Sugimoto, H, Shiro, Y, Watanabe, Y, Shoji, O. | | Deposit date: | 2019-03-05 | | Release date: | 2020-03-11 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Highly malleable haem-binding site of the haemoprotein HasA permits stable accommodation of bulky tetraphenylporphycenes.
Rsc Adv, 9, 2019
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6JMR
 | | CD98hc extracellular domain bound to HBJ127 Fab and MEM-108 Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4F2 cell-surface antigen heavy chain, ... | | Authors: | Lee, Y, Nishizawa, T, Kusakizako, T, Oda, K, Ishitani, R, Yokoyama, T, Nakane, T, Shirouzu, M, Nureki, O. | | Deposit date: | 2019-03-13 | | Release date: | 2019-06-19 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | Cryo-EM structure of the human L-type amino acid transporter 1 in complex with glycoprotein CD98hc.
Nat.Struct.Mol.Biol., 26, 2019
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7SUA
 | | Crystal Structure of the Hypothetical Protein (ACX60_00475) from Acinetobacter baumannii | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, DUF4175 domain-containing protein | | Authors: | Minasov, G, Shuvalova, L, Dubrovska, I, Kiryukhina, O, Satchell, K.J.F, Center for Structural Biology of Infectious Diseases (CSBID) | | Deposit date: | 2021-11-16 | | Release date: | 2022-11-30 | | Last modified: | 2023-02-01 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Crystal Structure of the Hypothetical Protein (ACX60_00475) from Acinetobacter baumannii
To be Published
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6K58
 | | Structure of the CYP102A1 Haem Domain with N-Enanthyl-L-Prolyl-L-Phenylalanine | | Descriptor: | (2S)-2-[[(2S)-1-heptylpyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, DIMETHYL SULFOXIDE, ... | | Authors: | Stanfield, J.K, Kasai, C, Sugimoto, H, Shiro, Y, Watanabe, Y, Shoji, O. | | Deposit date: | 2019-05-28 | | Release date: | 2020-03-18 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.41 Å) | | Cite: | Crystals in Minutes: Instant On-Site Microcrystallisation of Various Flavours of the CYP102A1 (P450BM3) Haem Domain.
Angew.Chem.Int.Ed.Engl., 59, 2020
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6K7H
 | | Cryo-EM structure of the human P4-type flippase ATP8A1-CDC50 (E1 state class2) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, Cell cycle control protein 50A, ... | | Authors: | Hiraizumi, M, Yamashita, K, Nishizawa, T, Nureki, O. | | Deposit date: | 2019-06-07 | | Release date: | 2019-08-28 | | Last modified: | 2021-02-10 | | Method: | ELECTRON MICROSCOPY (3.22 Å) | | Cite: | Cryo-EM structures capture the transport cycle of the P4-ATPase flippase.
Science, 365, 2019
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6JVC
 | | Structure of the Cobalt Protoporphyrin IX-Reconstituted CYP102A1 Haem Domain with N-Abietoyl-L-Tryptophan | | Descriptor: | (2S)-2-[[(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl]carbonylamino]-3-( 1H-indol-3-yl)propanoic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Bifunctional cytochrome P450/NADPH--P450 reductase, ... | | Authors: | Stanfield, J.K, Matsumoto, A, Kasai, C, Sugimoto, H, Shiro, Y, Watanabe, Y, Shoji, O. | | Deposit date: | 2019-04-16 | | Release date: | 2020-03-18 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Crystals in Minutes: Instant On-Site Microcrystallisation of Various Flavours of the CYP102A1 (P450BM3) Haem Domain.
Angew.Chem.Int.Ed.Engl., 59, 2020
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6K7I
 | | Cryo-EM structure of the human P4-type flippase ATP8A1-CDC50 (E1-ATP state class2) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, Cell cycle control protein 50A, ... | | Authors: | Hiraizumi, M, Yamashita, K, Nishizawa, T, Nureki, O. | | Deposit date: | 2019-06-07 | | Release date: | 2019-08-28 | | Last modified: | 2021-02-10 | | Method: | ELECTRON MICROSCOPY (3.22 Å) | | Cite: | Cryo-EM structures capture the transport cycle of the P4-ATPase flippase.
Science, 365, 2019
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6K7N
 | | Cryo-EM structure of the human P4-type flippase ATP8A1-CDC50 (E1P state) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, Cell cycle control protein 50A, ... | | Authors: | Hiraizumi, M, Yamashita, K, Nishizawa, T, Nureki, O. | | Deposit date: | 2019-06-07 | | Release date: | 2019-08-28 | | Last modified: | 2021-02-10 | | Method: | ELECTRON MICROSCOPY (2.84 Å) | | Cite: | Cryo-EM structures capture the transport cycle of the P4-ATPase flippase.
Science, 365, 2019
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7TG5
 | | Crystal Structure of the Pirin Family Protein Redox-sensitive Bicupin YhaK in the Presence of Fe Ion from Yersinia pestis | | Descriptor: | CHLORIDE ION, FE (III) ION, Pirin family protein | | Authors: | Kim, Y, Chhor, G, Endres, M, Babnigg, G, Schneewind, O, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2022-01-07 | | Release date: | 2022-01-19 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Crystal Structure of the Pirin Family Protein Redox-sensitive Bicupin YhaK in the presence of Fe ion from Yersinia pestis
To Be Published
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7TFQ
 | | Crystal Structure of the Pirin Family Protein Redox-sensitive Bicupin YhaK Bound to Copper Ion from Yersinia pestis | | Descriptor: | 1,2-ETHANEDIOL, COPPER (II) ION, FORMIC ACID, ... | | Authors: | Kim, Y, Chhor, G, Endres, M, Babnigg, G, Schneewind, O, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2022-01-07 | | Release date: | 2022-01-19 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Crystal Structure of the Pirin Family Protein Redox-sensitive Bicupin YhaK Bound to Copper Ion from Yersinia pestis
To Be Published
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7TRV
 | | Crystal Structure of the DNA-Binding Domain of the LysR family Transcriptional Regulator YfbA from Yersinia pestis | | Descriptor: | CHLORIDE ION, FORMIC ACID, GLYCEROL, ... | | Authors: | Kim, Y, Tesar, C, Crawford, M, Chhor, G, Endres, M, Babnigg, G, Schneewind, O, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2022-01-31 | | Release date: | 2022-02-09 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal Structure of the DNA-Binding Domain of the LysR family Transcriptional Regulator YfbA from Yersinia pestis
To Be Published
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6K1Q
 | | Human endothelin receptor type-B in complex with inverse agonist IRL2500 | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2~{S})-2-[[(2~{R})-2-[(3,5-dimethylphenyl)carbonyl-methyl-amino]-3-(4-phenylphenyl)propanoyl]amino]-3-(1~{H}-indol-3-yl)propanoic acid, Endothelin B receptor,Endolysin,Endothelin B receptor, ... | | Authors: | Nagiri, C, Shihoya, W, Nureki, O. | | Deposit date: | 2019-05-11 | | Release date: | 2019-07-17 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal structure of human endothelin ETBreceptor in complex with peptide inverse agonist IRL2500.
Commun Biol, 2, 2019
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7TMU
 | | Crystal Structure of the Protein of Unknown Function YPO0625 from Yersinia pestis | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Kim, Y, Chhor, G, Endres, M, Babnigg, G, Schneewind, O, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2022-01-20 | | Release date: | 2022-02-02 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Crystal Structure of the Protein of Unknown Function YPO0625 from Yersinia pestis
To Be Published
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6K24
 | | Structure of the Rhodium Mesoporphyrin IX-Reconstituted CYP102A1 Haem Domain with N-Abietoyl-L-Tryptophan | | Descriptor: | (2S)-2-[[(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl]carbonylamino]-3-( 1H-indol-3-yl)propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, DIMETHYL SULFOXIDE, ... | | Authors: | Stanfield, J.K, Matsumoto, A, Kasai, C, Sugimoto, H, Shiro, Y, Watanabe, Y, Shoji, O. | | Deposit date: | 2019-05-13 | | Release date: | 2020-03-18 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystals in Minutes: Instant On-Site Microcrystallisation of Various Flavours of the CYP102A1 (P450BM3) Haem Domain.
Angew.Chem.Int.Ed.Engl., 59, 2020
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7TRW
 | | Crystal Structure of the C-terminal Ligand-Binding Domain of the LysR family Transcriptional Regulator YfbA from Yersinia pestis | | Descriptor: | 3-HYDROXYBENZOIC ACID, LysR-family transcriptional regulatory protein, PHOSPHATE ION | | Authors: | Kim, Y, Tesar, C, Crawford, M, Endres, M, Babnigg, G, Schneewind, O, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2022-01-31 | | Release date: | 2022-02-09 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Crystal Structure of the C-terminal Ligand-Binding Domain of the LysR family Transcriptional Regulator YfbA from Yersinia pestis
To Be Published
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6K3Q
 | | Crystal Structure of P450BM3 with N-(3-cyclohexylpropanoyl)-L-prolyl-L-phenylalanine | | Descriptor: | (2S)-2-[[(2S)-1-(3-cyclohexylpropanoyl)pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, DIMETHYL SULFOXIDE, ... | | Authors: | Shoji, O, Yonemura, K. | | Deposit date: | 2019-05-21 | | Release date: | 2020-05-27 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Systematic Evolution of Decoy Molecules for the Highly Efficient Hydroxylation of Benzene and Small Alkanes Catalyzed by Wild-Type Cytochrome P450BM3
Acs Catalysis, 10, 2020
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7THW
 | | Crystal Structure of the Soluble Domain of the Putative OmpA -Family Membrane Protein YPO0514 from Yersinia pestis | | Descriptor: | CALCIUM ION, PHOSPHATE ION, Putative OmpA-family membrane protein | | Authors: | Kim, Y, Tesar, C, Chhor, G, Clancy, S, Babnigg, G, Schneewind, O, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2022-01-12 | | Release date: | 2022-01-26 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal Structure of the Soluble Domain of the Putative OmpA -Family Membrane Protein YPO0514 from Yersinia pestis
To Be Published
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7TLL
 | | Structure of SARS-CoV-2 Mpro Omicron P132H in complex with Nirmatrelvir (PF-07321332) | | Descriptor: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 | | Authors: | Greasley, S.E, Ferre, R.A, Plotnikova, O, Liu, W, Stewart, A.E. | | Deposit date: | 2022-01-18 | | Release date: | 2022-01-26 | | Last modified: | 2022-06-15 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Structural basis for the in vitro efficacy of nirmatrelvir against SARS-CoV-2 variants.
J.Biol.Chem., 298, 2022
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6K7K
 | | Cryo-EM structure of the human P4-type flippase ATP8A1-CDC50 (E1-ADP-Pi state) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE-5'-DIPHOSPHATE, CHOLESTEROL HEMISUCCINATE, ... | | Authors: | Hiraizumi, M, Yamashita, K, Nishizawa, T, Nureki, O. | | Deposit date: | 2019-06-07 | | Release date: | 2019-08-28 | | Last modified: | 2021-02-10 | | Method: | ELECTRON MICROSCOPY (3.04 Å) | | Cite: | Cryo-EM structures capture the transport cycle of the P4-ATPase flippase.
Science, 365, 2019
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6K9S
 | | Structure of the Carbonylruthenium Mesoporphyrin IX-Reconstituted CYP102A1 Haem Domain with N-Abietoyl-L-Tryptophan | | Descriptor: | (2S)-2-[[(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl]carbonylamino]-3-( 1H-indol-3-yl)propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, CARBON MONOXIDE, ... | | Authors: | Stanfield, J.K, Omura, K, Kasai, C, Sugimoto, H, Shiro, Y, Watanabe, Y, Shoji, O. | | Deposit date: | 2019-06-17 | | Release date: | 2020-03-18 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Crystals in Minutes: Instant On-Site Microcrystallisation of Various Flavours of the CYP102A1 (P450BM3) Haem Domain.
Angew.Chem.Int.Ed.Engl., 59, 2020
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