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PDB: 6628 件
6CJF
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BU of 6cjf by Molmil
Human dihydroorotate dehydrogenase bound to 4-quinoline carboxylic acid inhibitor 43
分子名称: 2-[4-(2-chloro-6-methylpyridin-3-yl)phenyl]-6-fluoro-3-methylquinoline-4-carboxylic acid, 3-[decyl(dimethyl)ammonio]propane-1-sulfonate, Dihydroorotate dehydrogenase (quinone), ...
著者Petrunak, E.M, Stuckey, J.A.
登録日2018-02-26
公開日2018-05-23
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Design, Synthesis, and Biological Evaluation of 4-Quinoline Carboxylic Acids as Inhibitors of Dihydroorotate Dehydrogenase.
J. Med. Chem., 61, 2018
5DUG
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BU of 5dug by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with a Sulfoxide-bridged Oxabicyclic Heptene Sulfonate (SOBHS)-2 analog phenyl (1S,2S,4S,7S)-5,6-bis(4-hydroxy-2-methylphenyl)-7-thiabicyclo[2.2.1]hept-5-ene-2-sulfonate 7-oxide
分子名称: Estrogen receptor, Nuclear receptor coactivator 2, phenyl (1S,2S,4S,7S)-5,6-bis(4-hydroxy-2-methylphenyl)-7-thiabicyclo[2.2.1]hept-5-ene-2-sulfonate 7-oxide
著者Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W.
登録日2015-09-18
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.252 Å)
主引用文献Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
3ZG5
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BU of 3zg5 by Molmil
Crystal structure of PBP2a from MRSA in complex with peptidoglycan analogue at allosteric
分子名称: CADMIUM ION, CHLORIDE ION, PEPTIDOGLYCAN ANALOGUE, ...
著者Otero, L.H, Rojas-Altuve, A, Hermoso, J.A.
登録日2012-12-14
公開日2013-10-09
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献How Allosteric Control of Staphylococcus Aureus Penicillin Binding Protein 2A Enables Methicillin Resistance and Physiological Function
Proc.Natl.Acad.Sci.USA, 110, 2013
5DXM
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BU of 5dxm by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 3-[(E)-(1s,5s)-bicyclo[3.3.1]non-9-ylidene(4-hydroxyphenyl)methyl]phenol
分子名称: 3-[(E)-(1s,5s)-bicyclo[3.3.1]non-9-ylidene(4-hydroxyphenyl)methyl]phenol, Estrogen receptor, Nuclear receptor coactivator 2
著者Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W.
登録日2015-09-23
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
4IGK
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BU of 4igk by Molmil
Structure of human BRCA1 BRCT in complex with ATRIP peptide
分子名称: ATRIP peptide, Breast cancer type 1 susceptibility protein, GLYCEROL
著者Liu, X, Ladias, J.A.A.
登録日2012-12-17
公開日2013-10-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural Basis for the BRCA1 BRCT Interaction with the Proteins ATRIP and BAAT1.
Biochemistry, 52, 2013
4IGS
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BU of 4igs by Molmil
Crystal structure of human Aldose Reductase complexed with NADP+ and JF0064
分子名称: 2,2',3,3',5,5',6,6'-octafluorobiphenyl-4,4'-diol, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Porte, S, de Lera, A.R, Martin, M.J, de la Fuente, J.A, Klebe, G, Farres, J, Pares, X, Podjarny, A.
登録日2012-12-18
公開日2014-03-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (0.85 Å)
主引用文献Identification of a novel polyfluorinated compound as a lead to inhibit the human enzymes aldose reductase and AKR1B10: structure determination of both ternary complexes and implications for drug design.
Acta Crystallogr.,Sect.D, 70, 2014
5DUH
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BU of 5duh by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with a Sulfoxide-bridged Oxabicyclic Heptene Sulfonate (SOBHS)-3 analog phenyl (1S,2S,4S,7S)-5,6-bis(4-hydroxy-3-methylphenyl)-7-thiabicyclo[2.2.1]hept-5-ene-2-sulfonate 7-oxide
分子名称: Estrogen receptor, Nuclear receptor coactivator 2, phenyl (1S,2S,4S,7S)-5,6-bis(4-hydroxy-3-methylphenyl)-7-thiabicyclo[2.2.1]hept-5-ene-2-sulfonate 7-oxide
著者Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W.
登録日2015-09-18
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
6D2V
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BU of 6d2v by Molmil
Apo Structure of TerB, an NADP Dependent Oxidoreductase in the Terfestatin Biosynthesis Pathway
分子名称: CHLORIDE ION, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, THIOCYANATE ION, ...
著者Clinger, J.A, Elshahawi, S.I, Zhang, Y, Hall, R.P, Liu, Y, Thorson, J.S, Phillips Jr, G.N.
登録日2018-04-14
公開日2018-06-13
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.901 Å)
主引用文献Structure and Function of Terfestatin Biosynthesis Enzymes TerB and TerC
To Be Published
4WK5
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BU of 4wk5 by Molmil
Crystal structure of a Isoprenoid Synthase family member from Thermotoga neapolitana DSM 4359, target EFI-509458
分子名称: Geranyltranstransferase
著者Toro, R, Bhosle, R, Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Poulter, C.D, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2014-10-01
公開日2014-11-19
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of a Isoprenoid Synthase family member from Thermotoga neapolitana DSM 4359, target EFI-509458
To be published
6D34
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BU of 6d34 by Molmil
Apo Crystal Structure of TerC, a Terfestatin Biosynthesis Enzyme
分子名称: ISOPROPYL ALCOHOL, TerC
著者Clinger, J.A, Elshahawi, S.I, Zhang, Y, Hall, R.P, Liu, Y, Thorson, J.S, Phillips Jr, G.N.
登録日2018-04-14
公開日2018-06-13
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure and Function of Terfestatin Biosynthesis Enzymes TerB and TerC
To Be Published
5DZ1
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BU of 5dz1 by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 4,4'-[(4-ethylcyclohexylidene)methanediyl]diphenol
分子名称: 4,4'-[(4-ethylcyclohexylidene)methanediyl]diphenol, Estrogen receptor, Nuclear receptor coactivator 2
著者Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W.
登録日2015-09-25
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
3ZO7
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BU of 3zo7 by Molmil
Crystal structure of ClcFE27A with substrate
分子名称: (2S)-2-chloranyl-2-[(2R)-5-oxidanylidene-2H-furan-2-yl]ethanoic acid, 5-CHLOROMUCONOLACTONE DEHALOGENASE, CHLORIDE ION
著者Roth, C, Groening, J.A.D, Kaschabek, S.R, Schloemann, M, Straeter, N.
登録日2013-02-20
公開日2013-03-06
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.224 Å)
主引用文献Crystal Structure and Catalytic Mechanism of Chloromuconolactone Dehalogenase Clcf from Rhodococcus Opacus 1Cp.
Mol.Microbiol., 88, 2013
4IHQ
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BU of 4ihq by Molmil
Archaellum Assembly ATPase FlaI bound to ADP
分子名称: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, FlaI ATPase, ...
著者Reindl, S, Williams, G.J, Tainer, J.A.
登録日2012-12-19
公開日2013-03-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Insights into FlaI Functions in Archaeal Motor Assembly and Motility from Structures, Conformations, and Genetics.
Mol.Cell, 49, 2013
4WMJ
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BU of 4wmj by Molmil
Colias eurytheme Phosphoglucose isomerase. Homodimer from 4-5(18) genotype.
分子名称: Glucose-6-phosphate isomerase
著者Hill, J.A, Watt, W.B.
登録日2014-10-09
公開日2015-10-14
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure and Function of Phosphoglucose Isomerase In Colias Eurytheme
Thesis, Stanford University, 2013
5E3F
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BU of 5e3f by Molmil
Crystal structure of Staphylococcal nuclease variant Delta+PHS I92K at cryogenic temperature
分子名称: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease
著者Skerritt, L.A, Caro, J.A, Heroux, A, Schlessman, J.L, Garcia-Moreno E, B.
登録日2015-10-02
公開日2015-10-14
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal structure of Staphylococcal nuclease variant Delta+PHS I92K at cryogenic temperature
To be Published
4IP4
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BU of 4ip4 by Molmil
Crystal structure of l-fuconate dehydratase from Silicibacter sp. tm1040 liganded with Mg
分子名称: CARBON DIOXIDE, GLYCEROL, MAGNESIUM ION, ...
著者Fedorov, A.A, Fedorov, E.V, Lukk, T, Gerlt, J.A, Almo, S.C.
登録日2013-01-09
公開日2013-12-04
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.128 Å)
主引用文献Crystal structure of l-fuconate dehydratase from Silicibacter sp. tm1040 liganded with mg
To be Published
5DS6
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BU of 5ds6 by Molmil
Crystal structure the Escherichia coli Cas1-Cas2 complex bound to protospacer DNA with splayed ends
分子名称: CRISPR-associated endonuclease Cas1, CRISPR-associated endoribonuclease Cas2, DNA (28-MER), ...
著者Nunez, J.K, Harrington, L.B, Kranzusch, P.J, Engelman, A.N, Doudna, J.A.
登録日2015-09-16
公開日2015-10-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.352 Å)
主引用文献Foreign DNA capture during CRISPR-Cas adaptive immunity.
Nature, 527, 2015
4IP5
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BU of 4ip5 by Molmil
Crystal structure of l-fuconate dehydratase from Silicibacter sp. tm1040 liganded with Mg and d-erythronohydroxamate
分子名称: (2R,3R)-N,2,3,4-TETRAHYDROXYBUTANAMIDE, GLYCEROL, MAGNESIUM ION, ...
著者Fedorov, A.A, Fedorov, E.V, Lukk, T, Gerlt, J.A, Almo, S.C.
登録日2013-01-09
公開日2013-12-04
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Crystal structure of l-fuconate dehydratase from Silicibacter sp. tm1040 liganded with Mg and d-erythronohydroxamate
To be Published
4ID9
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BU of 4id9 by Molmil
Crystal structure of a short-chain dehydrogenase/reductase superfamily protein from agrobacterium tumefaciens (TARGET EFI-506441) with bound nad, monoclinic form 1
分子名称: ALANINE, CHLORIDE ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Vetting, M.W, Groninger-Poe, F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2012-12-12
公開日2012-12-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structure of a short-chain dehydrogenase/reductase superfamily protein from agrobacterium tumefaciens (TARGET EFI-506441) with bound nad, monoclinic form 1
To be Published
3ZTA
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BU of 3zta by Molmil
The bacterial stressosome: a modular system that has been adapted to control secondary messenger signaling
分子名称: ANTI-SIGMA-FACTOR ANTAGONIST (STAS) DOMAIN PROTEIN
著者Quin, M.B, Berrisford, J.M, Newman, J.A, Basle, A, Lewis, R.J, Marles-Wright, J.
登録日2011-07-06
公開日2012-02-22
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The Bacterial Stressosome: A Modular System that Has Been Adapted to Control Secondary Messenger Signaling.
Structure, 20, 2012
5DYB
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BU of 5dyb by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 4,4'-(3,4-dihydronaphthalen-2(1H)-ylidenemethanediyl)diphenol
分子名称: 4,4'-(3,4-dihydronaphthalen-2(1H)-ylidenemethanediyl)diphenol, Estrogen receptor, Nuclear receptor coactivator 2
著者Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W.
登録日2015-09-24
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
3ZHG
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BU of 3zhg by Molmil
Crystallographic structure of the native mouse SIGN-R1 CRD domain
分子名称: CALCIUM ION, CD209 ANTIGEN-LIKE PROTEIN B, SULFATE ION
著者Silva-Martin, N, Bartual, S.G, Hermoso, J.A.
登録日2012-12-21
公開日2014-01-15
最終更新日2020-03-11
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Structural Basis for Selective Recognition of Endogenous and Microbial Polysaccharides by Macrophage Receptor Sign-R1.
Structure, 22, 2014
5DXR
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BU of 5dxr by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 4,4'-{[(3R)-3-methylcyclohexylidene]methanediyl}diphenol
分子名称: 4,4'-{[(3R)-3-methylcyclohexylidene]methanediyl}diphenol, Estrogen receptor, Nuclear receptor coactivator 2
著者Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W.
登録日2015-09-23
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
4ILK
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BU of 4ilk by Molmil
Crystal structure of short chain alcohol dehydrogenase (rspB) from E. coli CFT073 (EFI TARGET EFI-506413) complexed with cofactor NADH
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, MANGANESE (II) ION, Starvation sensing protein rspB, ...
著者Lukk, T, Wichelecki, D, Imker, H.J, Gerlt, J.A, Nair, S.K.
登録日2012-12-31
公開日2013-01-30
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.003 Å)
主引用文献Crystal structure of short chain alcohol dehydrogenase (rspB) from E. coli CFT073 (EFI TARGET EFI-506413) complexed with cofactor NADH
To be Published
4IMR
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BU of 4imr by Molmil
Crystal structure of 3-oxoacyl (acyl-carrier-protein) reductase (target EFI-506442) from agrobacterium tumefaciens C58 with NADP bound
分子名称: 3-oxoacyl-(Acyl-carrier-protein) reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, UNKNOWN LIGAND
著者Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Zencheck, W.D, Imker, H.J, Al Obaidi, N.F, Stead, M, Love, J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2013-01-03
公開日2013-01-16
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Crystal Structure of 3-Oxoacyl (Acyl-Carrier-Protein) Reductase Atu5465 from Agrobacterium Tumefaciens
To be Published

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