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PDB: 16 件
6IEO
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BU of 6ieo by Molmil
Crystal structure of Mycobacterium tuberculosis HtrA1 (Rv1223) in regulated conformation
分子名称: Probable serine protease HtrA (DEGP protein), phenylmethanesulfonic acid
著者Gupta, A.K, Gopal, B.
登録日2018-09-14
公開日2018-12-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献The crystal structure of Mycobacterium tuberculosis high-temperature requirement A protein reveals an autoregulatory mechanism.
Acta Crystallogr F Struct Biol Commun, 74, 2018
7VZ0
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BU of 7vz0 by Molmil
Structure of the M. tuberculosis HtrA S407A mutant
分子名称: Probable serine protease HtrA1
著者Gupta, A.K, Gopal, B.
登録日2021-11-15
公開日2022-11-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Allosteric Determinants in High Temperature Requirement A Enzymes Are Conserved and Regulate the Population of Active Conformations.
Acs Chem.Biol., 18, 2023
7VYZ
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BU of 7vyz by Molmil
Structure of the M. tuberculosis HtrA S367A mutant
分子名称: Probable serine protease HtrA1
著者Gupta, A.K, Gopal, B.
登録日2021-11-15
公開日2022-11-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.401 Å)
主引用文献Allosteric Determinants in High Temperature Requirement A Enzymes Are Conserved and Regulate the Population of Active Conformations.
Acs Chem.Biol., 18, 2023
7W22
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BU of 7w22 by Molmil
Structure of the M. tuberculosis HtrA K436A mutant
分子名称: Probable serine protease HtrA1
著者Gupta, A.K, Gopal, B.
登録日2021-11-21
公開日2022-11-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Allosteric Determinants in High Temperature Requirement A Enzymes Are Conserved and Regulate the Population of Active Conformations.
Acs Chem.Biol., 18, 2023
7W25
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BU of 7w25 by Molmil
Structure of the M. tuberculosis HtrA S413A mutant
分子名称: Probable serine protease HtrA1
著者Gupta, A.K, Gopal, B.
登録日2021-11-21
公開日2022-11-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Allosteric Determinants in High Temperature Requirement A Enzymes Are Conserved and Regulate the Population of Active Conformations.
Acs Chem.Biol., 18, 2023
7W23
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BU of 7w23 by Molmil
Structure of the M. tuberculosis HtrA S363A mutant
分子名称: Probable serine protease HtrA1
著者Gupta, A.K, Gopal, B.
登録日2021-11-21
公開日2022-11-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Allosteric Determinants in High Temperature Requirement A Enzymes Are Conserved and Regulate the Population of Active Conformations.
Acs Chem.Biol., 18, 2023
7W24
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BU of 7w24 by Molmil
Structure of the M. tuberculosis HtrA N383A mutant
分子名称: Probable serine protease HtrA1
著者Gupta, A.K, Gopal, B.
登録日2021-11-21
公開日2022-11-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Allosteric Determinants in High Temperature Requirement A Enzymes Are Conserved and Regulate the Population of Active Conformations.
Acs Chem.Biol., 18, 2023
7W21
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BU of 7w21 by Molmil
Structure of the M. tuberculosis HtrA N269A mutant
分子名称: Probable serine protease HtrA1
著者Gupta, A.K, Gopal, B.
登録日2021-11-21
公開日2022-11-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Allosteric Determinants in High Temperature Requirement A Enzymes Are Conserved and Regulate the Population of Active Conformations.
Acs Chem.Biol., 18, 2023
7W4R
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BU of 7w4r by Molmil
Structure of the M. tuberculosis HtrA N269A mutant at room-temperature
分子名称: Probable serine protease HtrA1
著者Gupta, A.K, Gopal, B.
登録日2021-11-29
公開日2022-12-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.701 Å)
主引用文献Allosteric Determinants in High Temperature Requirement A Enzymes Are Conserved and Regulate the Population of Active Conformations.
Acs Chem.Biol., 18, 2023
7W4W
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BU of 7w4w by Molmil
Structure of the M. tuberculosis HtrA K436A mutant at room-temperature
分子名称: Probable serine protease HtrA1
著者Gupta, A.K, Gopal, B.
登録日2021-11-29
公開日2022-12-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Allosteric Determinants in High Temperature Requirement A Enzymes Are Conserved and Regulate the Population of Active Conformations.
Acs Chem.Biol., 18, 2023
7W4T
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BU of 7w4t by Molmil
Structure of the M. tuberculosis HtrA S367A mutant at room-temperature
分子名称: Probable serine protease HtrA1
著者Gupta, A.K, Gopal, B.
登録日2021-11-29
公開日2022-12-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Allosteric Determinants in High Temperature Requirement A Enzymes Are Conserved and Regulate the Population of Active Conformations.
Acs Chem.Biol., 18, 2023
7W4U
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BU of 7w4u by Molmil
Structure of the M. tuberculosis HtrA S407A mutant at room-temperature
分子名称: Probable serine protease HtrA1
著者Gupta, A.K, Gopal, B.
登録日2021-11-29
公開日2022-12-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Allosteric Determinants in High Temperature Requirement A Enzymes Are Conserved and Regulate the Population of Active Conformations.
Acs Chem.Biol., 18, 2023
7W4S
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BU of 7w4s by Molmil
Structure of the M. tuberculosis HtrA S363A mutant at room-temperature
分子名称: Probable serine protease HtrA1
著者Gupta, A.K, Gopal, B.
登録日2021-11-29
公開日2022-12-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Allosteric Determinants in High Temperature Requirement A Enzymes Are Conserved and Regulate the Population of Active Conformations.
Acs Chem.Biol., 18, 2023
7W4V
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BU of 7w4v by Molmil
Structure of the M. tuberculosis HtrA S413A mutant at room temperature
分子名称: Probable serine protease HtrA1
著者Gupta, A.K, Gopal, B.
登録日2021-11-29
公開日2022-12-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Allosteric Determinants in High Temperature Requirement A Enzymes Are Conserved and Regulate the Population of Active Conformations.
Acs Chem.Biol., 18, 2023
6V5L
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BU of 6v5l by Molmil
The HADDOCK structure model of GDP KRas in complex with its allosteric inhibitor E22
分子名称: (2R)-2-[2-(1H-indole-3-carbonyl)hydrazinyl]-2-phenylacetamide, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
著者Wang, X, Gupta, A.K, Prakash, P, Putkey, J.P, Gorfe, A.A.
登録日2019-12-04
公開日2019-12-18
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Multi target ensemble based virtual screening yields novel allosteric KRAS inhibitors at high success rate
Chemical Biology & Drug Design, 94, 2019
6BNS
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BU of 6bns by Molmil
STRUCTURE OF HUMAN PREGNANE X RECEPTOR LIGAND BINDING DOMAIN BOUND TETHERED WITH SRC co-activator peptide and Compound 25a AKA BICYCLIC HEXAFLUOROISOPROPYL 2 ALCOHOL SULFONAMIDES
分子名称: 2-[(2S)-4-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]-N-(2-hydroxy-2-methylpropyl)acetamide, Nuclear receptor subfamily 1 group I member 2,Nuclear receptor coactivator 1 Chimera
著者DHAR, T.G, GONG, H, WEINSTEIN, D.S, LU, Z, DUAN, J.J.W, STACHURA, S, HAQUE, L, KARMAKAR, A, HEMAGIRI, H, RAUT, D.K, GUPTA, A.K, KHAN, J.A, SACK, J.S, CAMAC, D.M, PUDZIANOWSKI, A.A, WU, D.R, YARDE, M, SHEN, D.R, BOROWSKI, V, XIE, J.H, SUN, H, ARIENZO, C.D, DABROS, M, GALELLA, M.A, WANG, F, WEIGELT, C.A, ZHAO, Q, FOSTER, W, SOMERVILLE, J.E, SALTER-CID, L.M, BARRISH, J.C, CARTER, P.H.
登録日2017-11-17
公開日2017-12-20
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献Identification of bicyclic hexafluoroisopropyl alcohol sulfonamides as retinoic acid receptor-related orphan receptor gamma (ROR gamma /RORc) inverse agonists. Employing structure-based drug design to improve pregnane X receptor (PXR) selectivity.
Bioorg. Med. Chem. Lett., 28, 2018

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件を2024-07-03に公開中

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