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5V7N
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Crystal structure of NADPH-dependent glyoxylate/hydroxypyruvate reductase SMc04462 (SmGhrB) from Sinorhizobium meliloti in complex with NADP and 2-Keto-D-gluconic acid
分子名称: 2-keto-D-gluconic acid, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Shabalin, I.G, Handing, K.B, Miks, C.D, Kutner, J, Matelska, D, Bonanno, J, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC)
登録日2017-03-20
公開日2017-03-29
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural, Biochemical, and Evolutionary Characterizations of Glyoxylate/Hydroxypyruvate Reductases Show Their Division into Two Distinct Subfamilies.
Biochemistry, 57, 2018
7KJJ
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Reconstructed ancestor of HIUases and Transthyretins
分子名称: 1,2-ETHANEDIOL, 3,5,3',5'-TETRAIODO-L-THYRONINE, TTR ancestor
著者Nagem, R.A.P, Bleicher, L, Costa, M.A.F.
登録日2020-10-26
公開日2021-05-19
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Reenacting the Birth of a Function: Functional Divergence of HIUases and Transthyretins as Inferred by Evolutionary and Biophysical Studies.
J.Mol.Evol., 89, 2021
5V6Q
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Crystal structure of NADPH-dependent glyoxylate/hydroxypyruvate reductase SMc04462 (SmGhrB) from Sinorhizobium meliloti in complex with NADP and malonate
分子名称: MALONIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NADPH-dependent glyoxylate/hydroxypyruvate reductase, ...
著者Shabalin, I.G, Handing, K.B, Miezaniec, A.P, Gasiorowska, O.A, Bonanno, J, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC)
登録日2017-03-17
公開日2017-03-29
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural, Biochemical, and Evolutionary Characterizations of Glyoxylate/Hydroxypyruvate Reductases Show Their Division into Two Distinct Subfamilies.
Biochemistry, 57, 2018
6G17
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Non-aged form of Torpedo californica acetylcholinesterase inhibited by nerve agent tabun
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, ...
著者Santoni, G, De la Mora, E, de Souza, J, Silman, I, Sussman, J, Baati, R, Weik, M, Nachon, F.
登録日2018-03-20
公開日2018-08-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure-Based Optimization of Nonquaternary Reactivators of Acetylcholinesterase Inhibited by Organophosphorus Nerve Agents.
J. Med. Chem., 61, 2018
6G4P
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Non-aged form of Torpedo californica acetylcholinesterase inhibited by tabun analog NEDPA bound to uncharged reactivator 2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-[4-[(7-chloranyl-1,2,3,4-tetrahydroacridin-9-yl)amino]butyl]-2-[(~{Z})-hydroxyiminomethyl]pyridin-3-ol, Acetylcholinesterase, ...
著者Santoni, G, De la Mora, E, de Souza, J, Silman, I, Sussman, J, Baati, R, Weik, M, Nachon, F.
登録日2018-03-28
公開日2018-08-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.83 Å)
主引用文献Structure-Based Optimization of Nonquaternary Reactivators of Acetylcholinesterase Inhibited by Organophosphorus Nerve Agents.
J. Med. Chem., 61, 2018
1PP7
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Crystal structure of the T. vaginalis Initiator binding protein bound to the ferredoxin Inr
分子名称: 39 kDa initiator binding protein, FERREDOXIN INR, ZINC ION
著者Schumacher, M.A, Lau, A.O.T, Johnson, P.J.
登録日2003-06-16
公開日2003-11-18
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Structural Basis of Core Promoter Recognition in a Primitive Eukaryote
Cell(Cambridge,Mass.), 115, 2003
7F8R
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Crystal structure of human soluble CLIC1 with catalytic cysteine (Cys24) in sulphonic acid form.
分子名称: Chloride intracellular channel protein 1
著者Kumar, A, Das, B.K, Sreeshma, N.S, Arockiasamy, A.
登録日2021-07-02
公開日2022-01-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Comparative kinetic analysis of ascorbate (Vitamin-C) recycling dehydroascorbate reductases from plants and humans.
Biochem.Biophys.Res.Commun., 591, 2021
7F8S
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BU of 7f8s by Molmil
Pennisetum glaucum (Pearl millet) dehydroascorbate reductase (DHAR) with catalytic cysteine (Cy20) in sulphenic and sulfinic acid forms.
分子名称: Dehydroascorbate reductase, SULFATE ION
著者Das, B.K, Kumar, A, Sreeshma, N.S, Arockiasamy, A.
登録日2021-07-02
公開日2022-01-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.63 Å)
主引用文献Comparative kinetic analysis of ascorbate (Vitamin-C) recycling dehydroascorbate reductases from plants and humans.
Biochem.Biophys.Res.Commun., 591, 2021
6KH1
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BU of 6kh1 by Molmil
Design and crystal structure of protein MOFs with ferritin nanocages as linkers and nickel clusters as nodes
分子名称: FE (III) ION, Ferritin, NICKEL (II) ION
著者Gu, C, Chen, H, Wang, Y, Zhang, T, Whang, H, Zhao, G.
登録日2019-07-12
公開日2020-01-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural Insight into Binary Protein Metal-Organic Frameworks with Ferritin Nanocages as Linkers and Nickel Clusters as Nodes.
Chemistry, 26, 2020
7KXD
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CRYSTAL STRUCTURE OF RAR-RELATED ORPHAN RECEPTOR C (NHIS-RORGT(244-487)-L6-SRC1(678-692)) IN COMPLEX WITH {3,5-DICHLORO-4-[4-METHOXY-3-(PROPAN-2-YL)PHENOXY]PHENYL}METHANOL
分子名称: Nuclear receptor ROR-gamma, Nuclear receptor coactivator 1 peptide chimera, {3,5-dichloro-4-[4-methoxy-3-(propan-2-yl)phenoxy]phenyl}methanol
著者Sack, J.
登録日2020-12-03
公開日2021-01-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.624 Å)
主引用文献Substituted diaryl ether compounds as retinoic acid-related orphan Receptor-gamma t (ROR gamma t) agonists.
Bioorg.Med.Chem.Lett., 35, 2021
4WUX
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Crystal Structure of Surfactant Protein-A DED Mutant (E171D/P175E/K203D) Complexed with Mannose
分子名称: CALCIUM ION, Pulmonary surfactant-associated protein A, alpha-D-mannopyranose
著者Rynkiewicz, M.J, Wu, H, Cafarella, T.R, Nikolaidis, N.M, Head, J.F, Seaton, B.A, McCormack, F.X.
登録日2014-11-03
公開日2016-02-10
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Differential ligand binding specificities of the pulmonary collectins are determined by the conformational freedom of a surface loop
To be published
7E7L
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BU of 7e7l by Molmil
The crystal structure of arylacetate decarboxylase from Olsenella scatoligenes.
分子名称: 4-HYDROXYPHENYLACETATE, Hydroxyphenylacetic acid decarboxylase
著者Lu, Q, Duan, Y, Zhang, Y, Yuchi, Z.
登録日2021-02-26
公開日2021-07-28
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.53 Å)
主引用文献The Glycyl Radical Enzyme Arylacetate Decarboxylase from Olsenella scatoligenes
Acs Catalysis, 11, 2021
5W2P
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Crystal structure of Mycobacterium tuberculosis KasA in complex with 6U5
分子名称: 3,3',3''-phosphanetriyltripropanoic acid, 3-oxoacyl-[acyl-carrier-protein] synthase 1, GLYCEROL, ...
著者Capodagli, G.C, Neiditch, M.B.
登録日2017-06-06
公開日2018-12-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Synergistic Lethality of a Binary Inhibitor of Mycobacterium tuberculosis KasA.
MBio, 9, 2018
7LC3
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CryoEM Structure of KdpFABC in E1-ATP state
分子名称: (2R)-3-(((2-aminoethoxy)(hydroxy)phosphoryl)oxy)-2-(palmitoyloxy)propyl (E)-octadec-9-enoate, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ...
著者Sweet, M.E, Larsen, C, Pedersen, B.P, Stokes, D.L.
登録日2021-01-09
公開日2021-01-27
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.23 Å)
主引用文献Structural basis for potassium transport in prokaryotes by KdpFABC.
Proc.Natl.Acad.Sci.USA, 118, 2021
7LC6
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Cryo-EM Structure of KdpFABC in E2-P state with BeF3
分子名称: (2R)-3-(((2-aminoethoxy)(hydroxy)phosphoryl)oxy)-2-(palmitoyloxy)propyl (E)-octadec-9-enoate, MAGNESIUM ION, POTASSIUM ION, ...
著者Sweet, M.E, Larsen, C, Pedersen, B.P, Stokes, D.L.
登録日2021-01-09
公開日2021-01-27
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Structural basis for potassium transport in prokaryotes by KdpFABC.
Proc.Natl.Acad.Sci.USA, 118, 2021
7LKP
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Structure of ATP-free human ABCA4
分子名称: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, ...
著者Liu, F, Lee, J, Chen, J.
登録日2021-02-02
公開日2021-03-03
最終更新日2021-08-25
実験手法ELECTRON MICROSCOPY (3.27 Å)
主引用文献Molecular structures of the eukaryotic retinal importer ABCA4.
Elife, 10, 2021
7LKZ
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Structure of ATP-bound human ABCA4
分子名称: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Liu, F, Lee, J, Chen, J.
登録日2021-02-03
公開日2021-03-03
実験手法ELECTRON MICROSCOPY (3.27 Å)
主引用文献Molecular structures of the eukaryotic retinal importer ABCA4.
Elife, 10, 2021
1PP8
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BU of 1pp8 by Molmil
crystal structure of the T. vaginalis IBP39 Initiator binding domain (IBD) bound to the alpha-SCS Inr element
分子名称: 39 kDa initiator binding protein, ALPHA-SCS INR, SULFATE ION
著者Schumacher, M.A, Lau, A.O.T, Johnson, P.J.
登録日2003-06-16
公開日2003-11-18
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献Structural Basis of Core Promoter Recognition in a Primitive Eukaryote
Cell(Cambridge,Mass.), 115, 2003
6KH4
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Design and crystal structure of protein MOFs with ferritin nanocages as linkers and nickel clusters as nodes
分子名称: FE (III) ION, Ferritin, NICKEL (II) ION
著者Gu, C, Chen, H, Wang, Y, Zhang, T, Wang, H, Zhao, G.
登録日2019-07-12
公開日2020-01-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.302 Å)
主引用文献Structural Insight into Binary Protein Metal-Organic Frameworks with Ferritin Nanocages as Linkers and Nickel Clusters as Nodes.
Chemistry, 26, 2020
5UNN
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BU of 5unn by Molmil
Crystal structure of NADPH-dependent glyoxylate/hydroxypyruvate reductase SMc02828 (SmGhrA) from Sinorhizobium meliloti in apo form
分子名称: CHLORIDE ION, GLYCEROL, NADPH-dependent glyoxylate/hydroxypyruvate reductase
著者Shabalin, I.G, LaRowe, C, Kutner, J, Gasiorowska, O.A, Handing, K.B, Bonanno, J, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC)
登録日2017-01-31
公開日2017-02-22
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural, Biochemical, and Evolutionary Characterizations of Glyoxylate/Hydroxypyruvate Reductases Show Their Division into Two Distinct Subfamilies.
Biochemistry, 57, 2018
5UNY
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Structure of rat neuronal nitric oxide synthase heme domain in complex with (RS)-3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-(2-(methylamino)propyl)benzonitrile
分子名称: 3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-[(2R)-2-(methylamino)propyl]benzonitrile, 3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-[(2S)-2-(methylamino)propyl]benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, ...
著者Li, H, Poulos, T.L.
登録日2017-01-31
公開日2017-05-03
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Nitrile in the Hole: Discovery of a Small Auxiliary Pocket in Neuronal Nitric Oxide Synthase Leading to the Development of Potent and Selective 2-Aminoquinoline Inhibitors.
J. Med. Chem., 60, 2017
5UOB
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Structure of human endothelial nitric oxide synthase heme domain in complex with (R)-3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-(2-(methylamino)propyl)benzonitrile
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-[(2R)-2-(methylamino)propyl]benzonitrile, CHLORIDE ION, ...
著者Chreifi, G, Li, H, Poulos, T.L.
登録日2017-01-31
公開日2017-05-03
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.292 Å)
主引用文献Nitrile in the Hole: Discovery of a Small Auxiliary Pocket in Neuronal Nitric Oxide Synthase Leading to the Development of Potent and Selective 2-Aminoquinoline Inhibitors.
J. Med. Chem., 60, 2017
4KGS
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BU of 4kgs by Molmil
Backbone Modifications in the Protein GB1 Loops: beta-3-Val21, beta-3-Asp40
分子名称: GLYCEROL, Streptococcal Protein GB1 Backbone Modified Variant: beta-3-Val21, beta-3-Asp40
著者Reinert, Z.E, Lengyel, G.A, Horne, W.S.
登録日2013-04-29
公開日2013-09-04
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Protein-like Tertiary Folding Behavior from Heterogeneous Backbones.
J.Am.Chem.Soc., 135, 2013
5UNR
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Structure of rat neuronal nitric oxide synthase heme domain in complex with 3-[(2-aminoquinolin-7-yl)methoxy]-5-((methylamino)methyl)benzonitrile
分子名称: 3-[(2-aminoquinolin-7-yl)methoxy]-5-[(methylamino)methyl]benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ...
著者Li, H, Poulos, T.L.
登録日2017-01-31
公開日2017-05-03
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Nitrile in the Hole: Discovery of a Small Auxiliary Pocket in Neuronal Nitric Oxide Synthase Leading to the Development of Potent and Selective 2-Aminoquinoline Inhibitors.
J. Med. Chem., 60, 2017
5UO5
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BU of 5uo5 by Molmil
Structure of human neuronal nitric oxide synthase heme domain in complex with (RS)-3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-(2-(methylamino)propyl)benzonitrile
分子名称: 3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-[(2R)-2-(methylamino)propyl]benzonitrile, 3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-[(2S)-2-(methylamino)propyl]benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, ...
著者Li, H, Poulos, T.L.
登録日2017-01-31
公開日2017-05-03
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Nitrile in the Hole: Discovery of a Small Auxiliary Pocket in Neuronal Nitric Oxide Synthase Leading to the Development of Potent and Selective 2-Aminoquinoline Inhibitors.
J. Med. Chem., 60, 2017

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