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1TA1
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H141C mutant of rat liver arginase I
分子名称: Arginase 1, GLYCEROL, MANGANESE (II) ION
著者Cama, E, Cox, J.D, Ash, D.E, Christianson, D.W.
登録日2004-05-19
公開日2005-08-16
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Probing the role of the hyper-reactive histidine residue of arginase.
Arch.Biochem.Biophys., 444, 2005
4NU6
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BU of 4nu6 by Molmil
Crystal Structure of PTDH R301K
分子名称: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Phosphonate dehydrogenase, SULFATE ION
著者Nair, S.K, Chekan, J.R.
登録日2013-12-03
公開日2014-03-12
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Chemical rescue and inhibition studies to determine the role of arg301 in phosphite dehydrogenase.
Plos One, 9, 2014
3PHL
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BU of 3phl by Molmil
The apo-form UDP-glucose 6-dehydrogenase
分子名称: UDP-glucose 6-dehydrogenase
著者Chen, Y.Y, Ko, T.P, Lin, C.H, Chen, W.H, Wang, A.H.J.
登録日2010-11-04
公開日2011-09-28
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Conformational change upon product binding to Klebsiella pneumoniae UDP-glucose dehydrogenase: a possible inhibition mechanism for the key enzyme in polymyxin resistance.
J.Struct.Biol., 175, 2011
1TA9
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Crystal structure of glycerol dehydrogenase from Schizosaccharomyces pombe
分子名称: ALANINE, GLYCEROL, POTASSIUM ION, ...
著者Mulichak, A.M.
登録日2004-05-19
公開日2005-08-16
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of glycerol dehydrogenase from Schyzosaccharomyces pombe
To be Published
4NS3
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BU of 4ns3 by Molmil
Crystal structure of the Delta-pyrroline-5-carboxylate dehydrogenase from Mycobacterium tuberculosis bound with NAD and cobalamin
分子名称: COBALAMIN, Delta-1-pyrroline-5-carboxylate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Lagautriere, T, Bashiri, G, Baker, E.N.
登録日2013-11-27
公開日2015-01-14
最終更新日2019-07-17
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Use of a "silver bullet" to resolve crystal lattice dislocation disorder: A cobalamin complex of Delta (1)-pyrroline-5-carboxylate dehydrogenase from Mycobacterium tuberculosis.
J.Struct.Biol., 189, 2015
3PYL
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BU of 3pyl by Molmil
Crystal structure of aspartate beta-semialdehide dehydrogenase from Streptococcus pneumoniae with D-2,3-diaminopropionate
分子名称: 3-amino-D-alanine, Aspartate-semialdehyde dehydrogenase
著者Pavlovsky, A.G, Liu, X, Faehnle, C.R, Potente, N, Viola, R.E.
登録日2010-12-13
公開日2012-01-04
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural Characterization of Inhibitors with Selectivity against Members of a Homologous Enzyme Family.
Chem.Biol.Drug Des., 79, 2012
3PL8
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BU of 3pl8 by Molmil
Pyranose 2-oxidase H167A complex with 3-deoxy-3-fluoro-beta-D-glucose
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-deoxy-3-fluoro-beta-D-glucopyranose, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Tan, T.C, Divne, C.
登録日2010-11-14
公開日2011-04-27
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Regioselective control of Beta-d-glucose oxidation by pyranose 2-oxidase is intimately coupled to conformational degeneracy
J.Mol.Biol., 409, 2011
5R8J
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PanDDA analysis group deposition INTERLEUKIN-1 BETA -- Fragment Z355728146 in complex with INTERLEUKIN-1 BETA
分子名称: 2-[(2~{R},5~{S})-2,5-dimethylmorpholin-4-yl]-~{N}-ethyl-ethanamide, Interleukin-1 beta, SULFATE ION
著者De Nicola, G.F, Nichols, C.E.
登録日2020-03-03
公開日2020-04-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
7JG2
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BU of 7jg2 by Molmil
Secretory Immunoglobin A (SIgA)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Igh protein, ...
著者Kumar Bharathkar, S, Parker, B.P, Malyutin, A.G, Stadtmueller, B.M.
登録日2020-07-18
公開日2020-11-11
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献The structures of Secretory and dimeric Immunoglobulin A.
Elife, 9, 2020
5R8Z
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PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N01381c in complex with MAP kinase p38-alpha
分子名称: 6-methoxypyridine-3-carbothioamide, ACETATE ION, CHLORIDE ION, ...
著者De Nicola, G.F, Nichols, C.E.
登録日2020-03-04
公開日2020-07-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
5R9E
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BU of 5r9e by Molmil
PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N13693a in complex with MAP kinase p38-alpha
分子名称: CHLORIDE ION, DIMETHYL SULFOXIDE, MAGNESIUM ION, ...
著者De Nicola, G.F, Nichols, C.E.
登録日2020-03-04
公開日2020-07-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.775 Å)
主引用文献Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
5R9U
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BU of 5r9u by Molmil
PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N13475a in complex with MAP kinase p38-alpha
分子名称: CHLORIDE ION, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 14, ...
著者De Nicola, G.F, Nichols, C.E.
登録日2020-03-04
公開日2020-07-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
5R8F
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BU of 5r8f by Molmil
PanDDA analysis group deposition INTERLEUKIN-1 BETA -- Fragment Z2377835233 in complex with INTERLEUKIN-1 BETA
分子名称: 1-methyl-3-[(3R)-piperidin-3-yl]-1H-pyrazole-4-carboxamide, Interleukin-1 beta, SULFATE ION
著者De Nicola, G.F, Nichols, C.E.
登録日2020-03-03
公開日2020-04-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
5RA8
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BU of 5ra8 by Molmil
PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N05711b in complex with MAP kinase p38-alpha
分子名称: 5-(trifluoromethyl)-1,2-benzoxazol-3-amine, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者De Nicola, G.F, Nichols, C.E.
登録日2020-03-04
公開日2020-07-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
5R8W
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BU of 5r8w by Molmil
PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment K00283c in complex with MAP kinase p38-alpha
分子名称: 6-ethylthieno[2,3-d]pyrimidin-4(3H)-one, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者De Nicola, G.F, Nichols, C.E.
登録日2020-03-04
公開日2020-07-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
1SWZ
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BU of 1swz by Molmil
Use of an ion-binding site to bypass the 1000-atom limit to ab initio structure determination by direct methods
分子名称: BETA-MERCAPTOETHANOL, CHLORIDE ION, Lysozyme, ...
著者Mooers, B.H.M, Matthews, B.W.
登録日2004-03-30
公開日2005-01-18
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.06 Å)
主引用文献Use of an ion-binding site to bypass the 1000-atom limit to structure determination by direct methods.
Acta Crystallogr.,Sect.D, 60, 2004
3Q3U
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BU of 3q3u by Molmil
Trametes cervina lignin peroxidase
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, CHLORIDE ION, ...
著者Calvino, F.R, Romero, A, Miki, Y, Martinez, A.T.
登録日2010-12-22
公開日2011-03-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystallographic, kinetic, and spectroscopic study of the first ligninolytic peroxidase presenting a catalytic tyrosine.
J.Biol.Chem., 286, 2011
5R9C
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BU of 5r9c by Molmil
PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N14074a in complex with MAP kinase p38-alpha
分子名称: 1-(5-methoxy-1H-indol-3-yl)-N,N-dimethyl-methanamine, ACETATE ION, CHLORIDE ION, ...
著者De Nicola, G.F, Nichols, C.E.
登録日2020-03-04
公開日2020-07-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
1SSY
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BU of 1ssy by Molmil
Crystal structure of phage T4 lysozyme mutant G28A/I29A/G30A/C54T/C97A
分子名称: Lysozyme
著者He, M.M, Baase, W.A, Xiao, H, Heinz, D.W, Matthews, B.W.
登録日2004-03-24
公開日2004-10-19
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Alanine-scanning mutagenesis of the beta-sheet region of phage T4 lysozyme suggests that tertiary context has a dominant effect on beta-sheet formation
Protein Sci., 13, 2004
5R9R
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BU of 5r9r by Molmil
PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N13413a in complex with MAP kinase p38-alpha
分子名称: 4-acetyl-N-ethylpiperazine-1-carboxamide, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者De Nicola, G.F, Nichols, C.E.
登録日2020-03-04
公開日2020-07-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
5RA7
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BU of 5ra7 by Molmil
PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N11351a in complex with MAP kinase p38-alpha
分子名称: 4-methylbenzamide, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者De Nicola, G.F, Nichols, C.E.
登録日2020-03-04
公開日2020-07-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
1SZW
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BU of 1szw by Molmil
Crystal structure of E. coli tRNA pseudouridine synthase TruD
分子名称: tRNA pseudouridine synthase D
著者Ericsson, U.B, Nordlund, P, Hallberg, B.M, Structural Proteomics in Europe (SPINE)
登録日2004-04-06
公開日2004-04-20
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献X-ray structure of tRNA pseudouridine synthase TruD reveals an inserted domain with a novel fold
Febs Lett., 565, 2004
7JH0
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BU of 7jh0 by Molmil
Crystallographic structure of glyceraldehyde-3-phosphate dehydrogenase from Schistosoma mansoni
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Boreiko, S, Silva, M, Iulek, J.
登録日2020-07-20
公開日2021-02-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Structure determination and analyses of the GAPDH from the parasite Schistosoma mansoni, the first one from a platyhelminth.
Biochimie, 184, 2021
1SZN
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BU of 1szn by Molmil
THE STRUCTURE OF ALPHA-GALACTOSIDASE
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Golubev, A.M, Nagem, R.A.P, Brando Neto, J.R, Neustroev, K.N, Eneyskaya, E.V, Kulminskaya, A.A, Shabalin, K.A, Savel'ev, A.N, Polikarpov, I.
登録日2004-04-06
公開日2004-08-10
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Crystal structure of alpha-galactosidase from Trichoderma reesei and its complex with galactose: implications for catalytic mechanism.
J.Mol.Biol., 339, 2004
4NWT
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BU of 4nwt by Molmil
Crystal structure of the anti-human NGF Fab APE1531
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETATE ION, APE1531 Ab Fab heavy chain, ...
著者Verdino, P, Stanfield, R.L, Wilson, I.A.
登録日2013-12-06
公開日2014-10-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Nucleotide insertions and deletions complement point mutations to massively expand the diversity created by somatic hypermutation of antibodies.
J.Biol.Chem., 289, 2014

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