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3Q3O
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Toluene 4 monooxygenase HD complex with phenol
分子名称: FE (III) ION, PENTAETHYLENE GLYCOL, PHENOL, ...
著者Acheson, J.F, Bailey, L.J, Fox, B.G.
登録日2010-12-22
公開日2011-12-28
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystallographic analysis of active site contributions to regiospecificity in the diiron enzyme toluene 4-monooxygenase.
Biochemistry, 51, 2012
3PNL
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BU of 3pnl by Molmil
Crystal Structure of E.coli Dha kinase DhaK-DhaL complex
分子名称: ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ...
著者Shi, R, McDonald, L, Matte, A, Cygler, M, Ekiel, I, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI)
登録日2010-11-19
公開日2011-01-12
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural and mechanistic insight into covalent substrate binding by Escherichia coli dihydroxyacetone kinase.
Proc.Natl.Acad.Sci.USA, 108, 2011
3Q58
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Structure of N-acetylmannosamine-6-Phosphate Epimerase from Salmonella enterica
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Anderson, S.M, Wawrzak, Z, Kudritska, M, Kwon, K, Anderson, W.F, Savchenko, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2010-12-27
公開日2011-01-12
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献

3PQF
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Crystal structure of L-lactate dehydrogenase from Bacillus subtilis mutation H171C complexed with NAD+
分子名称: L-lactate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Zhang, Y, Garavito, R.M.
登録日2010-11-26
公開日2012-01-11
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Crystal structure of L-lactate dehydrogenase from Bacillus subtilis mutation H171C complexed with NAD+
To be Published
3PID
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The apo-form UDP-glucose 6-dehydrogenase with a C-terminal six-histidine tag
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2010-11-06
公開日2011-09-28
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.4 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
1VQ9
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BU of 1vq9 by Molmil
The structure of CCA-PHE-CAP-BIO and the antibiotic sparsomycin bound to the large ribosomal subunit of haloarcula marismortui
分子名称: 23S ribosomal rna, 5'-R(*CP*CP*AP*(PHE)*(ACA))-3', 50S RIBOSOMAL PROTEIN L10E, ...
著者Schmeing, T.M, Steitz, T.A.
登録日2004-12-16
公開日2005-11-29
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural Insights into the Roles of Water and the 2' Hydroxyl of the P Site tRNA in the Peptidyl Transferase Reaction.
Mol.Cell, 20, 2005
1VEQ
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Mycobacterium smegmatis Dps Hexagonal form
分子名称: FE (III) ION, starvation-induced DNA protecting protein
著者Roy, S, Gupta, S, Das, S, Sekar, K, Chatterji, D, Vijayan, M.
登録日2004-04-03
公開日2004-06-29
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3.98 Å)
主引用文献X-ray analysis of Mycobacterium smegmatis Dps and a comparative study involving other Dps and Dps-like molecules
J.Mol.Biol., 339, 2004
4NWH
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Lysozyme UNDER 30 BAR PRESSURE OF XENON
分子名称: CHLORIDE ION, Lysozyme C, SODIUM ION, ...
著者Colloc'h, N, Prange, T.
登録日2013-12-06
公開日2014-09-24
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystallographic Studies with Xenon and Nitrous Oxide Provide Evidence for Protein-dependent Processes in the Mechanisms of General Anesthesia
Anesthesiology, 121, 2014
3PS9
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Crystal structure of MnmC from E. coli
分子名称: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, S-ADENOSYLMETHIONINE, ...
著者Kim, J, Almo, S.C.
登録日2010-12-01
公開日2010-12-22
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献Structural basis for hypermodification of the wobble uridine in tRNA by bifunctional enzyme MnmC.
Bmc Struct.Biol., 13, 2013
3PSX
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BU of 3psx by Molmil
Crystal structure of the KT2 mutant of cytochrome P450 BM3
分子名称: Bifunctional P-450/NADPH-P450 reductase, PROTOPORPHYRIN IX CONTAINING FE
著者Yang, W, Whitehouse, C.J.C, Yorke, J.A, Bell, S.G, Zhou, W, Bartlam, M, Wong, L.L, Rao, Z.
登録日2010-12-02
公開日2011-12-07
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure, electronic properties and catalytic behaviour of an activity-enhancing CYP102A1 (P450(BM3)) variant
Dalton Trans, 40, 2011
5R89
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PanDDA analysis group deposition INTERLEUKIN-1 BETA -- Fragment Z217038356 in complex with INTERLEUKIN-1 BETA
分子名称: 1-[(2~{S})-2-methylmorpholin-4-yl]-2-pyrazol-1-yl-ethanone, 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 (1.65 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
4NXS
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BU of 4nxs by Molmil
Crystal structure of human alpha-galactosidase A in complex with 1-deoxygalactonojirimycin-pFPhT
分子名称: (2R,3S,4R,5S)-N-(4-fluorophenyl)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidine-1-carbothioamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Johnson, J.L, Drury, J.E, Lieberman, R.L.
登録日2013-12-09
公開日2014-06-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.5493 Å)
主引用文献Molecular Basis of 1-Deoxygalactonojirimycin Arylthiourea Binding to Human alpha-Galactosidase A: Pharmacological Chaperoning Efficacy on Fabry Disease Mutants.
Acs Chem.Biol., 9, 2014
5R8N
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BU of 5r8n by Molmil
PanDDA analysis group deposition INTERLEUKIN-1 BETA -- Fragment Z57292400 in complex with INTERLEUKIN-1 BETA
分子名称: 3-ethoxy-~{N}-(2-methyl-1,2,3,4-tetrazol-5-yl)benzamide, 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 (1.48 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
1VSU
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BU of 1vsu by Molmil
Crystal Structure of Apo-glyceraldehyde 3-phosphate dehydrogenase from Cryptosporidium parvum
分子名称: Glyceraldehyde-3-phosphate dehydrogenase
著者Cook, W.J, Senkovich, O, Chattopadhyay, D.
登録日2008-03-10
公開日2009-03-24
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献An unexpected phosphate binding site in Glyceraldehyde 3-Phosphate Dehydrogenase: Crystal structures of apo, holo and ternary complex of Cryptosporidium parvum enzyme
BMC STRUCT.BIOL., 9, 2009
5R95
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BU of 5r95 by Molmil
PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment KCL093 in complex with MAP kinase p38-alpha
分子名称: 1,2-ETHANEDIOL, 1-(4-aminophenyl)pyrrole-2,5-dione, 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 (1.59 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
5R9G
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BU of 5r9g by Molmil
PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment PC587 in complex with MAP kinase p38-alpha
分子名称: (4R,4aS,7aS,9S)-3,10-dimethyl-5,6,7,7a,8,9-hexahydro-4H-4a,9-epiminopyrrolo[3',4':5,6]cyclohepta[1,2-d][1,2]oxazol-4-ol, 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 (1.73 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
5R9X
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BU of 5r9x by Molmil
PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N13611a 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 (1.72 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
4NZ1
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BU of 4nz1 by Molmil
Structure of Vibrio cholerae chitin de-N-acetylase in complex with DI(N-ACETYL-D-GLUCOSAMINE) (CBS) in P 21
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Albesa-Jove, D, Andres, E, Biarnes, X, Planas, A, Guerin, M.E.
登録日2013-12-11
公開日2014-08-13
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.051 Å)
主引用文献Structural basis of chitin oligosaccharide deacetylation.
Angew.Chem.Int.Ed.Engl., 53, 2014
1T5G
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BU of 1t5g by Molmil
Arginase-F2-L-Arginine complex
分子名称: ARGININE, Arginase 1, FLUORIDE ION, ...
著者Cama, E, Pethe, S, Boucher, J.-L, Han, S, Emig, F.A, Ash, D.E, Viola, R.E, Mansuy, D, Christianson, D.W.
登録日2004-05-04
公開日2004-10-12
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Inhibitor coordination interactions in the binuclear manganese cluster of arginase
Biochemistry, 43, 2004
5R9V
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BU of 5r9v by Molmil
PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N13596a 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 (1.45 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
7JH4
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Crystal structure of NAD(P)H-flavin oxidoreductase (NfoR) from S. aureus complexed with reduced FMN and NAD+
分子名称: 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, NAD(P)H-dependent oxidoreductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Zheng, Y, O'Neill, A.G, Beaupre, B.A, Liu, D, Moran, G.R.
登録日2020-07-20
公開日2020-09-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献NfoR: Chromate Reductase or Flavin Mononucleotide Reductase?
Appl.Environ.Microbiol., 86, 2020
1T86
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BU of 1t86 by Molmil
Crystal Structure of the Ferrous Cytochrome P450cam Mutant (L358P/C334A)
分子名称: CAMPHOR, Cytochrome P450-cam, POTASSIUM ION, ...
著者Nagano, S, Tosha, T, Ishimori, K, Morishima, I, Poulos, T.L.
登録日2004-05-11
公開日2004-05-25
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 the cytochrome p450cam mutant that exhibits the same spectral perturbations induced by putidaredoxin binding.
J.Biol.Chem., 279, 2004
4O59
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Co-enzyme Induced Conformational Changes in Bovine Eye Glyceraldehyde 3-Phosphate Dehydrogenase
分子名称: Glyceraldehyde-3-phosphate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Baker, B.Y, Shi, W, Wang, B, Palczewski, K.
登録日2013-12-19
公開日2014-09-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献High-resolution crystal structures of the photoreceptor glyceraldehyde 3-phosphate dehydrogenase (GAPDH) with three and four-bound NAD molecules.
Protein Sci., 23, 2014
3PTM
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BU of 3ptm by Molmil
The crystal structure of rice (Oryza sativa L.) Os4BGlu12 with 2-fluoroglucopyranoside
分子名称: 2-deoxy-2-fluoro-alpha-D-glucopyranose, Beta-glucosidase Os4BGlu12, GLYCEROL, ...
著者Sansenya, S, Opassiri, R, Kuaprasert, B, Chen, C.J, Ketudat Cairns, J.R.
登録日2010-12-03
公開日2011-05-18
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The crystal structure of rice (Oryza sativa L.) Os4BGlu12, an oligosaccharide and tuberonic acid glucoside-hydrolyzing beta-glucosidase with significant thioglucohydrolase activity
Arch.Biochem.Biophys., 510, 2011
7JG1
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Dimeric Immunoglobin A (dIgA)
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

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