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PDB: 646 件
8EBZ
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BU of 8ebz by Molmil
Crystal Structure of GMPPNP-bound KRAS-G13D mutant at 1.2 Ang resolution
分子名称: Isoform 2B of GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER
著者Chan, A.H, Simanshu, D.K.
登録日2022-08-31
公開日2023-06-07
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Reduced dynamic complexity allows structure elucidation of an excited state of KRAS G13D .
Commun Biol, 6, 2023
4PPG
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BU of 4ppg by Molmil
Mycobacterium tuberculosis RecA citrate bound low temperature structure IIA-BR
分子名称: CITRATE ANION, Protein RecA, 1st part, ...
著者Chandran, A.V, Prabu, J.R, Patil, N.K, Muniyappa, K, Vijayan, M.
登録日2014-02-27
公開日2015-03-18
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural studies on Mycobacterium tuberculosis RecA: Molecular plasticity and interspecies variability
J.Biosci., 40, 2015
4PPQ
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BU of 4ppq by Molmil
Mycobacterium tuberculosis RecA citrate bound low temperature structure IIA-CR
分子名称: 1,2-ETHANEDIOL, CITRATE ANION, Protein RecA, ...
著者Chandran, A.V, Prabu, J.R, Patil, N.K, Muniyappa, K, Vijayan, M.
登録日2014-02-27
公開日2015-03-18
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Structural studies on Mycobacterium tuberculosis RecA: Molecular plasticity and interspecies variability
J.Biosci., 40, 2015
4PQY
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BU of 4pqy by Molmil
Mycobacterium tuberculosis RecA glycerol bound low temperature structure IIC-N4
分子名称: GLYCEROL, Protein RecA, 1st part, ...
著者Chandran, A.V, Prabu, J.R, Patil, N.K, Muniyappa, K, Vijayan, M.
登録日2014-03-05
公開日2015-03-18
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Structural studies on Mycobacterium tuberculosis RecA: Molecular plasticity and interspecies variability
J.Biosci., 40, 2015
4PO8
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BU of 4po8 by Molmil
Mycobacterium tuberculosis RecA glycerol bound low temperature structure IIC-CR
分子名称: 1,2-ETHANEDIOL, GLYCEROL, Protein RecA, ...
著者Chandran, A.V, Prabu, J.R, Patil, N.K, Muniyappa, K, Vijayan, M.
登録日2014-02-25
公開日2015-03-18
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural studies on Mycobacterium tuberculosis RecA: Molecular plasticity and interspecies variability
J.Biosci., 40, 2015
4PQF
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BU of 4pqf by Molmil
Mycobacterium tuberculosis RecA glycerol bound low temperature structure IIB-CR
分子名称: 1,2-ETHANEDIOL, GLYCEROL, Protein RecA, ...
著者Chandran, A.V, Prabu, J.R, Patil, N.K, Muniyappa, K, Vijayan, M.
登録日2014-03-03
公開日2015-03-18
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural studies on Mycobacterium tuberculosis RecA: Molecular plasticity and interspecies variability
J.Biosci., 40, 2015
4PQR
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BU of 4pqr by Molmil
Mycobacterium tuberculosis RecA glycerol bound low temperature structure IIB-BN
分子名称: 1,2-ETHANEDIOL, GLYCEROL, Protein RecA, ...
著者Chandran, A.V, Prabu, J.R, Patil, N.K, Muniyappa, K, Vijayan, M.
登録日2014-03-04
公開日2015-03-18
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural studies on Mycobacterium tuberculosis RecA: Molecular plasticity and interspecies variability
J.Biosci., 40, 2015
4PSK
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BU of 4psk by Molmil
Mycobacterium tuberculosis RecA phosphate bound low temperature structure I-LT
分子名称: PHOSPHATE ION, Protein RecA, 1st part, ...
著者Chandran, A.V, Prabu, J.R, Patil, N.K, Muniyappa, K, Vijayan, M.
登録日2014-03-07
公開日2015-03-18
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural studies on Mycobacterium tuberculosis RecA: Molecular plasticity and interspecies variability
J.Biosci., 40, 2015
4PPN
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BU of 4ppn by Molmil
Mycobacterium tuberculosis RecA citrate bound low temperature structure IIA-BN
分子名称: 1,2-ETHANEDIOL, CITRATE ANION, Protein RecA, ...
著者Chandran, A.V, Prabu, J.R, Patil, N.K, Muniyappa, K, Vijayan, M.
登録日2014-02-27
公開日2015-03-18
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural studies on Mycobacterium tuberculosis RecA: Molecular plasticity and interspecies variability
J.Biosci., 40, 2015
4PO9
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BU of 4po9 by Molmil
Mycobacterium tuberculosis RecA glycerol bound low temperature structure IIC-BR
分子名称: 1,2-ETHANEDIOL, GLYCEROL, Protein RecA, ...
著者Chandran, A.V, Prabu, J.R, Patil, N.K, Muniyappa, K, Vijayan, M.
登録日2014-02-25
公開日2015-03-18
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Structural studies on Mycobacterium tuberculosis RecA: Molecular plasticity and interspecies variability
J.Biosci., 40, 2015
4PSV
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BU of 4psv by Molmil
Mycobacterium tuberculosis RecA phosphate bound room temperature structure I-RT
分子名称: PHOSPHATE ION, Protein RecA, 1st part, ...
著者Chandran, A.V, Prabu, J.R, Patil, N.K, Muniyappa, K, Vijayan, M.
登録日2014-03-08
公開日2015-03-18
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural studies on Mycobacterium tuberculosis RecA: Molecular plasticity and interspecies variability
J.Biosci., 40, 2015
8CZA
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BU of 8cza by Molmil
Crystal structure of the first bromodomain (BD1) of human BRDT bound to GXH-IV-075
分子名称: 4-[(4-{4-chloro-3-[(2-methylpropane-2-sulfonyl)amino]anilino}-5-methylpyrimidin-2-yl)amino]-2-fluoro-N-[1-(14-{3-[(2-{3-fluoro-4-[(piperidin-4-yl)carbamoyl]anilino}-5-methylpyrimidin-4-yl)amino]-5-[(2-methylpropane-2-sulfonyl)amino]phenyl}-14-oxo-4,7,10-trioxa-13-azatetradecanan-1-oyl)piperidin-4-yl]benzamide, Bromodomain testis-specific protein, SODIUM ION
著者Chan, A, Schonbrunn, E.
登録日2022-05-24
公開日2022-08-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.96 Å)
主引用文献Bivalent BET Bromodomain Inhibitors Confer Increased Potency and Selectivity for BRDT via Protein Conformational Plasticity.
J.Med.Chem., 65, 2022
4PO1
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BU of 4po1 by Molmil
Mycobacterium tuberculosis RecA glycerol bound room temperature structure IIC-RT
分子名称: GLYCEROL, Protein RecA
著者Chandran, A.V, Prabu, J.R, Patil, N.K, Muniyappa, K, Vijayan, M.
登録日2014-02-23
公開日2015-03-18
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Structural studies on Mycobacterium tuberculosis RecA: Molecular plasticity and interspecies variability
J.Biosci., 40, 2015
4POA
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BU of 4poa by Molmil
Mycobacterium tuberculosis RecA glycerol bound low temperature structure IIC-BN
分子名称: 1,2-ETHANEDIOL, GLYCEROL, Protein RecA, ...
著者Chandran, A.V, Prabu, J.R, Patil, N.K, Muniyappa, K, Vijayan, M.
登録日2014-02-25
公開日2015-03-18
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Structural studies on Mycobacterium tuberculosis RecA: Molecular plasticity and interspecies variability
J.Biosci., 40, 2015
3NRP
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BU of 3nrp by Molmil
Crystal structure of 'as isolated' uropathogenic E. coli strain F11 FetP recombinantly expressed in the periplasm of E. coli BL21(DE3)
分子名称: Periplasmic protein-probably involved in high-affinity Fe2+ transport
著者Chan, A.C.K, Murphy, M.E.P.
登録日2010-06-30
公開日2011-05-18
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Characterization of a Dipartite Iron Uptake System from Uropathogenic Escherichia coli Strain F11.
J.Biol.Chem., 286, 2011
3NRQ
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BU of 3nrq by Molmil
Crystal structure of copper-reconstituted FetP from uropathogenic Escherichia coli strain F11
分子名称: COPPER (II) ION, Periplasmic protein-probably involved in high-affinity Fe2+ transport
著者Chan, A.C.K, Murphy, M.E.P.
登録日2010-06-30
公開日2011-05-18
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Characterization of a Dipartite Iron Uptake System from Uropathogenic Escherichia coli Strain F11.
J.Biol.Chem., 286, 2011
7KDZ
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BU of 7kdz by Molmil
Crystal structure of the bromodomain (BD) of human Bromodomain and PHD finger-containing Transcription Factor (BPTF) bound to TP-238
分子名称: 1,2-ETHANEDIOL, 6-{4-[3-(dimethylamino)propoxy]phenyl}-2-(methylsulfonyl)-N-[3-(1H-pyrazol-1-yl)propyl]pyrimidin-4-amine, Nucleosome-remodeling factor subunit BPTF
著者Chan, A, Schonbrunn, E.
登録日2020-10-09
公開日2020-12-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献New inhibitors for the BPTF bromodomain enabled by structural biology and biophysical assay development
Organic & Biomolecular Chemistry, 18(27), 2020
7L73
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BU of 7l73 by Molmil
Crystal structure of the first bromodomain (BD1) of human BRDT bound to ERK5-IN-1
分子名称: 11-cyclopentyl-2-({2-ethoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, Bromodomain testis-specific protein
著者Chan, A, Karim, M.R, Schonbrunn, E.
登録日2020-12-25
公開日2021-06-30
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Differential BET Bromodomain Inhibition by Dihydropteridinone and Pyrimidodiazepinone Kinase Inhibitors.
J.Med.Chem., 64, 2021
7LEM
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BU of 7lem by Molmil
Crystal structure of the first bromodomain (BD1) of human BRDT bound to LRRK2-IN-1
分子名称: 1,2-ETHANEDIOL, 2-[(2-methoxy-4-{[4-(4-methylpiperazin-1-yl)piperidin-1-yl]carbonyl}phenyl)amino]-5,11-dimethyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, Bromodomain testis-specific protein
著者Chan, A, Karim, M.R, Schonbrunn, E.
登録日2021-01-14
公開日2021-07-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Differential BET Bromodomain Inhibition by Dihydropteridinone and Pyrimidodiazepinone Kinase Inhibitors.
J.Med.Chem., 64, 2021
7LEK
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BU of 7lek by Molmil
Crystal structure of the second bromodomain (BD2) of human BRDT bound to ERK5-IN-1
分子名称: 1,2-ETHANEDIOL, 11-cyclopentyl-2-({2-ethoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, Bromodomain testis-specific protein, ...
著者Chan, A, Karim, M.R, Schonbrunn, E.
登録日2021-01-14
公開日2021-07-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Differential BET Bromodomain Inhibition by Dihydropteridinone and Pyrimidodiazepinone Kinase Inhibitors.
J.Med.Chem., 64, 2021
7LP0
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BU of 7lp0 by Molmil
Crystal structure of BPTF bromodomain in complex with inhibitor Pdy-3-077
分子名称: 1,2-ETHANEDIOL, 4-chlorol-2-methyl-5-[[(3~{R})-1-methylpiperidin-3-yl]amino]pyridazin-3-one, DIMETHYL SULFOXIDE, ...
著者Chan, A, Schonbrunn, E.
登録日2021-02-11
公開日2022-08-10
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献New Design Rules for Developing Potent Cell-Active Inhibitors of the Nucleosome Remodeling Factor (NURF) via BPTF Bromodomain Inhibition.
J.Med.Chem., 64, 2021
7LRK
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BU of 7lrk by Molmil
Crystal structure of BPTF bromodomain in complex with inhibitor Pdy-3-093
分子名称: 1,2-ETHANEDIOL, 4-chloranyl-2-methyl-5-[[(3~{S})-pyrrolidin-3-yl]amino]pyridazin-3-one, Nucleosome-remodeling factor subunit BPTF
著者Chan, A, Schonbrunn, E.
登録日2021-02-16
公開日2022-08-10
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献New Design Rules for Developing Potent Cell-Active Inhibitors of the Nucleosome Remodeling Factor (NURF) via BPTF Bromodomain Inhibition.
J.Med.Chem., 64, 2021
7LPK
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BU of 7lpk by Molmil
Crystal structure of BPTF bromodomain in complex with inhibitor HZ-03-112
分子名称: 1,2-ETHANEDIOL, 4-chloranyl-2-methyl-5-[[(3~{R})-pyrrolidin-3-yl]amino]pyridazin-3-one, Nucleosome-remodeling factor subunit BPTF
著者Chan, A, Schonbrunn, E.
登録日2021-02-12
公開日2022-08-10
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献New Design Rules for Developing Potent Cell-Active Inhibitors of the Nucleosome Remodeling Factor (NURF) via BPTF Bromodomain Inhibition.
J.Med.Chem., 64, 2021
7LRO
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BU of 7lro by Molmil
Crystal structure of BPTF bromodomain in complex with inhibitor HZ-01-105
分子名称: 1,2-ETHANEDIOL, 5-(azetidin-3-ylamino)-4-chloranyl-2-methyl-pyridazin-3-one, DIMETHYL SULFOXIDE, ...
著者Chan, A, Schonbrunn, E.
登録日2021-02-17
公開日2022-08-10
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献New Design Rules for Developing Potent Cell-Active Inhibitors of the Nucleosome Remodeling Factor (NURF) via BPTF Bromodomain Inhibition.
J.Med.Chem., 64, 2021
7K6S
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BU of 7k6s by Molmil
Crystal structure of the bromodomain (BD) of human Bromodomain and PHD finger-containing Transcription Factor (BPTF) bound to Compound 4 (SKT1174)
分子名称: (7-amino-3,4-dihydroquinolin-1(2H)-yl)(cyclopropyl)methanone, 1,2-ETHANEDIOL, CHLORIDE ION, ...
著者Chan, A, Schonbrunn, E.
登録日2020-09-21
公開日2020-12-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.23 Å)
主引用文献New inhibitors for the BPTF bromodomain enabled by structural biology and biophysical assay development.
Org.Biomol.Chem., 18, 2020

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