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5I7V
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Crystal structure of B. pseudomallei FabI in complex with NAD and PT02
分子名称: 2-phenoxy-5-propyl-phenol, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Hirschbeck, M.W, Eltschkner, S, Tonge, P.J, Kisker, C.
登録日2016-02-18
公開日2017-02-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Rationalizing the Binding Kinetics for the Inhibition of the Burkholderia pseudomallei FabI1 Enoyl-ACP Reductase.
Biochemistry, 56, 2017
1RBL
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BU of 1rbl by Molmil
STRUCTURE DETERMINATION AND REFINEMENT OF RIBULOSE 1,5 BISPHOSPHATE CARBOXYLASE(SLASH)OXYGENASE FROM SYNECHOCOCCUS PCC6301
分子名称: 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, FORMIC ACID, MAGNESIUM ION, ...
著者Newman, J, Gutteridge, S, Branden, C.-I, Jones, T.A.
登録日1993-05-12
公開日1994-06-22
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure determination and refinement of ribulose 1,5-bisphosphate carboxylase/oxygenase from Synechococcus PCC6301.
Acta Crystallogr.,Sect.D, 49, 1993
5FFT
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BU of 5fft by Molmil
Crystal Structure of Surfactant Protein-A Y221A Mutant
分子名称: CALCIUM ION, Pulmonary surfactant-associated protein A
著者Goh, B.C, Wu, H, Rynkiewicz, M.J, Schulten, K, Seaton, B.A, McCormack, F.X.
登録日2015-12-18
公開日2016-07-06
最終更新日2019-12-11
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Elucidation of Lipid Binding Sites on Lung Surfactant Protein A Using X-ray Crystallography, Mutagenesis, and Molecular Dynamics Simulations.
Biochemistry, 55, 2016
1A61
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THROMBIN COMPLEXED WITH A BETA-MIMETIC THIAZOLE-CONTAINING INHIBITOR
分子名称: (1S,7S)-7-amino-7-benzyl-N-{(1S)-4-carbamimidamido-1-[(S)-hydroxy(1,3-thiazol-2-yl)methyl]butyl}-8-oxohexahydro-1H-pyra zolo[1,2-a]pyridazine-1-carboxamide, ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), ...
著者St Charles, R, Matthews, J.H, Zhang, E, Tulinsky, A, Kahn, M.
登録日1998-03-05
公開日1998-06-17
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Bound structures of novel P3-P1' beta-strand mimetic inhibitors of thrombin.
J.Med.Chem., 42, 1999
4FJW
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BU of 4fjw by Molmil
Crystal Structure of the apo form of the E131Q Mtb crotonase
分子名称: Probable enoyl-CoA hydratase echA8
著者Bruning, J.B, Delgado, E, Ghosh, S, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日2012-06-12
公開日2013-05-22
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal Structure and Mechanism of the Prokaryotic Crotonase
To be Published
4FLM
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BU of 4flm by Molmil
S-formylglutathione Hydrolase W197I Variant containing Copper
分子名称: COPPER (II) ION, S-formylglutathione hydrolase
著者Legler, P.M, Millard, C.B.
登録日2012-06-14
公開日2012-09-05
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献A role for His-160 in peroxide inhibition of S. cerevisiae S-formylglutathione hydrolase: Evidence for an oxidation sensitive motif.
Arch.Biochem.Biophys., 528, 2012
4YPO
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BU of 4ypo by Molmil
Crystal structure of Mycobacterium tuberculosis ketol-acid reductoisomerase in complex with Mg2+
分子名称: CHLORIDE ION, Ketol-acid reductoisomerase, MAGNESIUM ION, ...
著者Lv, Y, Guddat, L.W.
登録日2015-03-13
公開日2016-02-17
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.001 Å)
主引用文献Crystal structure of Mycobacterium tuberculosis ketol-acid reductoisomerase at 1.0 angstrom resolution - a potential target for anti-tuberculosis drug discovery.
Febs J., 283, 2016
4FND
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BU of 4fnd by Molmil
Crystal structure of the Mtb enoyl CoA isomerase in complex with hydroxyhexanoyl CoA
分子名称: (S)-3-Hydroxyhexanoyl-CoA, Enoyl-CoA hydratase/isomerase family protein, SULFATE ION
著者Bruning, J.B, Gao, N, Hernandez, E.D, Li, H, Dang, N, Hung, L.W, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日2012-06-19
公開日2013-05-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal structure and mechanism of the prokaryotic enoyl CoA isomerase
To be Published
4YX1
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BU of 4yx1 by Molmil
SpaO(SPOA2)
分子名称: CALCIUM ION, Surface presentation of antigens protein SpaO
著者Notti, R.Q, Stebbins, C.E.
登録日2015-03-21
公開日2015-06-03
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献A common assembly module in injectisome and flagellar type III secretion sorting platforms.
Nat Commun, 6, 2015
1A46
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BU of 1a46 by Molmil
THROMBIN COMPLEXED WITH HIRUGEN AND A BETA-STRAND MIMETIC INHIBITOR
分子名称: (1S,7S)-7-amino-N-[(2R,3S)-7-amino-1-(cyclohexylamino)-2-hydroxy-1-oxoheptan-3-yl]-7-benzyl-8-oxohexahydro-1H-pyrazolo[1,2-a]pyridazine-1-carboxamide, ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), ...
著者St Charles, R, Matthews, J.H, Zhang, E, Tulinsky, A, Kahn, M.
登録日1998-02-11
公開日1998-05-27
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Bound structures of novel P3-P1' beta-strand mimetic inhibitors of thrombin.
J.Med.Chem., 42, 1999
4EI2
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BU of 4ei2 by Molmil
Crystal Structures of MthK RCK gating ring bound to Barium
分子名称: BARIUM ION, Calcium-gated potassium channel mthK
著者Smith, F.J, Cingolani, G, Rothberg, B.S.
登録日2012-04-04
公開日2012-12-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.108 Å)
主引用文献Crystal Structure of a Ba(2+)-Bound Gating Ring Reveals Elementary Steps in RCK Domain Activation.
Structure, 20, 2012
5I5V
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BU of 5i5v by Molmil
X-RAY CRYSTAL STRUCTURE AT 1.94A RESOLUTION OF HUMAN MITOCHONDRIAL BRANCHED CHAIN AMINOTRANSFERASE (BCATM) COMPLEXED WITH A THIENOPYRIMIDINE COMPOUND AND AN INTERNAL ALDIMINE LINKED PLP COFACTOR.
分子名称: 1,2-ETHANEDIOL, 3,5-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid, Branched-chain-amino-acid aminotransferase, ...
著者Somers, D.O.
登録日2016-02-15
公開日2016-03-23
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Structurally Diverse Mitochondrial Branched Chain Aminotransferase (BCATm) Leads with Varying Binding Modes Identified by Fragment Screening.
J.Med.Chem., 59, 2016
5I8E
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BU of 5i8e by Molmil
Crystal Structure of Broadly Neutralizing HIV-1 Fusion Peptide-Targeting Antibody VRC34.01 Fab
分子名称: VRC34.01 Fab heavy chain, VRC34.01 Fab light chain, ZINC ION
著者Xu, K, Zhou, T, Liu, K, Kwong, P.D.
登録日2016-02-18
公開日2016-05-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.655 Å)
主引用文献Fusion peptide of HIV-1 as a site of vulnerability to neutralizing antibody.
Science, 352, 2016
5I9L
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BU of 5i9l by Molmil
Crystal structure of B. pseudomallei FabI in complex with NAD and PT404
分子名称: 2-(2-chloro-4-nitrophenoxy)-5-ethyl-4-fluorophenol, Enoyl-[acyl-carrier-protein] reductase [NADH], GLYCEROL, ...
著者Hirschbeck, M.W, Eltschkner, S, Tonge, P.J, Kisker, C.
登録日2016-02-20
公開日2017-02-22
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Rationalizing the Binding Kinetics for the Inhibition of the Burkholderia pseudomallei FabI1 Enoyl-ACP Reductase.
Biochemistry, 56, 2017
4ESG
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BU of 4esg by Molmil
X-ray structure of WDR5-MLL1 Win motif peptide binary complex
分子名称: Histone-lysine N-methyltransferase MLL, WD repeat-containing protein 5
著者Dharmarajan, V, Lee, J.-H, Patel, A, Skalnik, D.G, Cosgrove, M.S.
登録日2012-04-23
公開日2012-05-30
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural basis for WDR5 interaction (Win) motif recognition in human SET1 family histone methyltransferases.
J.Biol.Chem., 287, 2012
4YXC
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BU of 4yxc by Molmil
Complex of FliM(SPOA)::FliN fusion protein and FliH(APAR)::T4lysozyme fusion protein
分子名称: Flagellar assembly protein H,Endolysin, Flagellar motor switch protein FliM,Flagellar motor switch protein FliN
著者Notti, R.Q, Stebbins, C.E.
登録日2015-03-23
公開日2015-06-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A common assembly module in injectisome and flagellar type III secretion sorting platforms.
Nat Commun, 6, 2015
4XDL
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BU of 4xdl by Molmil
Crystal structure of human two pore domain potassium ion channel TREK2 (K2P10.1) in complex with a brominated fluoxetine derivative.
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 3-[2-bromanyl-4-(trifluoromethyl)phenoxy]-N-methyl-3-phenyl-propan-1-amine, CADMIUM ION, ...
著者Mackenzie, A, Pike, A.C.W, Dong, Y.Y, Mukhopadhyay, S, Ruda, G.F, Brennan, P.E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Burgess-Brown, N.A, Carpenter, E.P, Structural Genomics Consortium (SGC)
登録日2014-12-19
公開日2015-03-18
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献K2P channel gating mechanisms revealed by structures of TREK-2 and a complex with Prozac.
Science, 347, 2015
4ERY
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BU of 4ery by Molmil
X-ray structure of WDR5-MLL3 Win motif peptide binary complex
分子名称: Histone-lysine N-methyltransferase MLL3, WD repeat-containing protein 5
著者Dharmarajan, V, Lee, J.-H, Patel, A, Skalnik, D.G, Cosgrove, M.S.
登録日2012-04-21
公開日2012-05-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structural basis for WDR5 interaction (Win) motif recognition in human SET1 family histone methyltransferases.
J.Biol.Chem., 287, 2012
3K6P
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BU of 3k6p by Molmil
Estrogen Related Receptor alpha in Complex with an Ether Based Ligand
分子名称: 4-(4-{[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]methyl}-2-methoxyphenoxy)-3-(trifluoromethyl)benzonitrile, Steroid hormone receptor ERR1
著者Abad, M.C, Patch, R.J.
登録日2009-10-09
公開日2010-10-20
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.996 Å)
主引用文献Development of Diaryl Ether based ligands for Estrogen Related Receptor alpha as Potential Anti-Diabetic Agents.
To be Published
4YXA
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BU of 4yxa by Molmil
Complex of SpaO(SPOA1,2 SeMet) and OrgB(APAR)::T4lysozyme fusion protein
分子名称: Oxygen-regulated invasion protein OrgB,Endolysin, Surface presentation of antigens protein SpaO
著者Notti, R.Q, Stebbins, C.E.
登録日2015-03-22
公開日2015-06-03
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献A common assembly module in injectisome and flagellar type III secretion sorting platforms.
Nat Commun, 6, 2015
1UAT
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BU of 1uat by Molmil
The significance of the flexible loop in the azurin (Az-iso2) from the obligate methylotroph Methylomonas sp. strain J
分子名称: Azurin iso-2, COPPER (II) ION, SULFATE ION
著者Inoue, T, Suzuki, S, Nisho, N, Yamaguchi, K, Kataoka, K, Tobari, J, Yong, X, Hamanaka, S, Matsumura, H, Kai, Y.
登録日2003-03-19
公開日2004-03-30
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The significance of the flexible loop in the azurin (Az-iso2) from the obligate methylotroph Methylomonas sp. strain J
J.Mol.Biol., 333, 2003
5FFS
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BU of 5ffs by Molmil
Crystal Structure of Surfactant Protein-A Y164A Mutant
分子名称: CALCIUM ION, Pulmonary surfactant-associated protein A
著者Goh, B.C, Wu, H, Rynkiewicz, M.J, Schulten, K, Seaton, B.A, McCormack, F.X.
登録日2015-12-18
公開日2016-07-06
最終更新日2019-12-11
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Elucidation of Lipid Binding Sites on Lung Surfactant Protein A Using X-ray Crystallography, Mutagenesis, and Molecular Dynamics Simulations.
Biochemistry, 55, 2016
1RZK
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BU of 1rzk by Molmil
HIV-1 YU2 GP120 ENVELOPE GLYCOPROTEIN COMPLEXED WITH CD4 AND INDUCED NEUTRALIZING ANTIBODY 17B
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ANTIBODY 17B, HEAVY CHAIN, ...
著者Huang, C.C, Venturi, M, Majeed, S, Moore, M.J, Phogat, S, Zhang, M.-Y, Dimitrov, D.S, Hendrickson, W.A, Robinson, J, Sodroski, J, Wyatt, R, Choe, H, Farzan, M, Kwong, P.D.
登録日2003-12-24
公開日2004-02-03
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural basis of tyrosine sulfation and VH-gene usage in antibodies that recognize the HIV type 1 coreceptor-binding site on gp120
Proc.Natl.Acad.Sci.USA, 101, 2004
4Z8L
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BU of 4z8l by Molmil
Crystal structure of DCAF1/SIV-MND VPX/MND SAMHD1 NTD ternary complex
分子名称: Protein VPRBP, SAM domain and HD domain-containing protein, Vpx protein, ...
著者Koharudin, L.M, Wu, Y, Calero, G, Ahn, J, Gronenborn, A.M.
登録日2015-04-09
公開日2015-06-17
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural Basis of Clade-specific Engagement of SAMHD1 (Sterile alpha Motif and Histidine/Aspartate-containing Protein 1) Restriction Factors by Lentiviral Viral Protein X (Vpx) Virulence Factors.
J.Biol.Chem., 290, 2015
4Z9K
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Ricin A chain bound to camelid nanobody (VHH2)(F5)
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Ricin, ...
著者Rudolph, M.J.
登録日2015-04-10
公開日2016-07-20
最終更新日2019-12-11
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural analysis of nested neutralizing and non-neutralizing B cell epitopes on ricin toxin's enzymatic subunit.
Proteins, 84, 2016

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件を2024-08-07に公開中

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