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7YOX
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BU of 7yox by Molmil
Cryo-EM structure of the N-terminal domain of hMCM8/9 and HROB
分子名称: DNA helicase MCM8, DNA helicase MCM9
著者Zheng, J.F, Weng, Z.F, Liu, Y.F.
登録日2022-08-02
公開日2023-08-09
最終更新日2023-12-06
実験手法ELECTRON MICROSCOPY (3.95 Å)
主引用文献Structural and mechanistic insights into the MCM8/9 helicase complex.
Elife, 12, 2023
7JRA
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BU of 7jra by Molmil
HUMAN TNF-ALPHA IN COMPLEX WITH 2-[5-(3-chloro-4-{[(1R)-1-(2-fluorophenyl)ethyl]amino}quinolin-6-yl)pyrimidin-2-yl]propan-2-ol
分子名称: 2-[5-(3-chloro-4-{[(1R)-1-(2-fluorophenyl)ethyl]amino}quinolin-6-yl)pyrimidin-2-yl]propan-2-ol, GLYCEROL, Tumor necrosis factor
著者Sheriff, S.
登録日2020-08-11
公開日2020-12-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Biologic-like In Vivo Efficacy with Small Molecule Inhibitors of TNF alpha Identified Using Scaffold Hopping and Structure-Based Drug Design Approaches.
J.Med.Chem., 63, 2020
6W9I
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BU of 6w9i by Molmil
SUBSTITUTED BENZYLOXYTRICYCLIC COMPOUNDS AS RETINOIC ACID-RELATED ORPHAN RECEPTOR GAMMA T AGONISTS
分子名称: 1-(benzyloxy)-4-{1-[(4-fluorophenyl)sulfonyl]cyclopentyl}benzene, Nuclear receptor ROR-gamma, Steroid receptor coactivator 1 fusion
著者Sack, J.S.
登録日2020-03-23
公開日2020-04-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.608 Å)
主引用文献Substituted benzyloxytricyclic compounds as retinoic acid-related orphan receptor gamma t (ROR gamma t) agonists.
Bioorg.Med.Chem.Lett., 30, 2020
6W9H
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BU of 6w9h by Molmil
SUBSTITUTED BENZYLOXYTRICYCLIC COMPOUNDS AS RETINOIC ACID-RELATED ORPHAN RECEPTOR GAMMA T AGONISTS
分子名称: 4-{(3R)-3-[4-(benzyloxy)phenyl]-3-[(4-fluorophenyl)sulfonyl]pyrrolidine-1-carbonyl}-1lambda~6~-thiane-1,1-dione, Nuclear receptor ROR-gamma, Steroid receptor coactivator 1 fusion
著者Sack, J.S.
登録日2020-03-23
公開日2020-04-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.995 Å)
主引用文献Substituted benzyloxytricyclic compounds as retinoic acid-related orphan receptor gamma t (ROR gamma t) agonists.
Bioorg.Med.Chem.Lett., 30, 2020
6LIT
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BU of 6lit by Molmil
Estrogen-related receptor beta(ERR2) in complex with BPA
分子名称: 10-mer from Nuclear receptor coactivator 2, 4,4'-PROPANE-2,2-DIYLDIPHENOL, Steroid hormone receptor ERR2
著者Yao, B.Q, Li, Y.
登録日2019-12-13
公開日2020-10-07
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Insights into the Specificity of Ligand Binding and Coactivator Assembly by Estrogen-Related Receptor beta.
J.Mol.Biol., 432, 2020
6LN4
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BU of 6ln4 by Molmil
Estrogen-related receptor beta(ERR2) in complex with PGC1a-2a
分子名称: 10-mer from Peroxisome proliferator-activated receptor gamma coactivator 1-alpha, Steroid hormone receptor ERR2
著者Yao, B.Q, Li, Y.
登録日2019-12-28
公開日2020-10-07
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Structural Insights into the Specificity of Ligand Binding and Coactivator Assembly by Estrogen-Related Receptor beta.
J.Mol.Biol., 432, 2020
7ZKR
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BU of 7zkr by Molmil
Human GABARAP in complex with stapled peptide Pen3-ortho
分子名称: CHLORIDE ION, Gamma-aminobutyric acid receptor-associated protein, ORTHO-XYLENE, ...
著者Ueffing, A, Brown, H, Willbold, D, Kritzer, J.A, Weiergraeber, O.H.
登録日2022-04-13
公開日2022-08-31
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Structure-Based Design of Stapled Peptides That Bind GABARAP and Inhibit Autophagy.
J.Am.Chem.Soc., 144, 2022
7ZL7
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BU of 7zl7 by Molmil
Human GABARAP in complex with stapled peptide Pen8-ortho
分子名称: CHLORIDE ION, Gamma-aminobutyric acid receptor-associated protein, ORTHO-XYLENE, ...
著者Ueffing, A, Brown, H, Willbold, D, Kritzer, J.A, Weiergraeber, O.H.
登録日2022-04-14
公開日2022-08-31
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structure-Based Design of Stapled Peptides That Bind GABARAP and Inhibit Autophagy.
J.Am.Chem.Soc., 144, 2022
6M63
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BU of 6m63 by Molmil
Crystal structure of a cAMP sensor G-Flamp1.
分子名称: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Chimera of Cyclic nucleotide-gated potassium channel mll3241 and Yellow fluorescent protein
著者Zhou, Z, Chen, S, Wang, L, Chu, J.
登録日2020-03-12
公開日2021-09-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献A high-performance genetically encoded fluorescent indicator for in vivo cAMP imaging.
Nat Commun, 13, 2022
8GRR
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BU of 8grr by Molmil
Complex of FMDV A/WH/CHA/09 and bovine neutralizing scFv antibody W125
分子名称: A/WH/CHA/09 VP1, A/WH/CHA/09 VP2, A/WH/CHA/09 VP3, ...
著者He, Y, Kun, L.
登録日2022-09-02
公開日2023-10-11
最終更新日2023-12-06
実験手法ELECTRON MICROSCOPY (3.72 Å)
主引用文献Conserved antigen structures and antibody-driven variations on foot-and-mouth disease virus serotype A revealed by bovine neutralizing monoclonal antibodies.
Plos Pathog., 19, 2023
8GSP
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BU of 8gsp by Molmil
Complex of FMDV A/WH/CHA/09 and bovine neutralizing scFv antibody W2
分子名称: A/WH/CHA/09 VP1, A/WH/CHA/09 VP2, A/WH/CHA/09 VP3, ...
著者He, Y, Li, K.
登録日2022-09-06
公開日2023-10-11
最終更新日2023-12-06
実験手法ELECTRON MICROSCOPY (3.75 Å)
主引用文献Conserved antigen structures and antibody-driven variations on foot-and-mouth disease virus serotype A revealed by bovine neutralizing monoclonal antibodies.
Plos Pathog., 19, 2023
7JH2
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BU of 7jh2 by Molmil
CRYSTAL STRUCTURE OF RAR-RELATED ORPHAN RECEPTOR C IN COMPLEX WITH A POTENT, SELECTIVE AND ORALLY BIOAVAILABLE ROR-GAMMA-T INVERSE AGONIST
分子名称: 2-({[2-(4-{(3R)-1-(4-acetylpiperazine-1-carbonyl)-3-[(4-fluorophenyl)sulfonyl]pyrrolidin-3-yl}phenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxy}methyl)-3-fluorobenzonitrile, Nuclear receptor ROR-gamma, SULFATE ION
著者Sack, J.S.
登録日2020-07-20
公開日2020-08-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.367 Å)
主引用文献Discovery of 2,6-difluorobenzyl ether series of phenyl ((R)-3-phenylpyrrolidin-3-yl)sulfones as surprisingly potent, selective and orally bioavailable ROR gamma t inverse agonists.
Bioorg.Med.Chem.Lett., 30, 2020
5TRL
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BU of 5trl by Molmil
Crystal structure of human GCN5 histone acetyltransferase domain
分子名称: Histone acetyltransferase KAT2A, SUCCINYL-COENZYME A
著者Guo, Y.R, Tao, Y.J.
登録日2016-10-26
公開日2017-12-06
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.299 Å)
主引用文献KAT2A coupled with the alpha-KGDH complex acts as a histone H3 succinyltransferase.
Nature, 552, 2017
5TRM
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BU of 5trm by Molmil
Crystal structure of human GCN5 histone acetyltransferase domain
分子名称: Histone acetyltransferase KAT2A
著者Guo, Y.R, Tao, Y.J.
登録日2016-10-26
公開日2017-12-06
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献KAT2A coupled with the alpha-KGDH complex acts as a histone H3 succinyltransferase.
Nature, 552, 2017
6KJ7
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BU of 6kj7 by Molmil
E. coli ATCase catalytic subunit mutant - G166P
分子名称: Aspartate carbamoyltransferase catalytic subunit
著者Lei, Z, Zheng, J, Jia, Z.
登録日2019-07-21
公開日2020-03-18
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.839 Å)
主引用文献New regulatory mechanism-based inhibitors of aspartate transcarbamoylase for potential anticancer drug development.
Febs J., 287, 2020
2O90
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BU of 2o90 by Molmil
Atomic resolution crystal structure of E.coli dihydroneopterin aldolase in complex with neopterin
分子名称: Dihydroneopterin aldolase, L-NEOPTERIN
著者Blaszczyk, J, Ji, X, Yan, H.
登録日2006-12-12
公開日2007-12-25
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.07 Å)
主引用文献Crystallographic and molecular dynamics simulation analysis of Escherichia coli dihydroneopterin aldolase.
Cell Biosci, 4, 2014
6KJ9
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BU of 6kj9 by Molmil
E. coli ATCase catalytic subunit mutant - G128/130A
分子名称: Aspartate carbamoyltransferase catalytic subunit
著者Lei, Z, Zheng, J, Jia, Z.C.
登録日2019-07-22
公開日2020-03-11
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献New regulatory mechanism-based inhibitors of aspartate transcarbamoylase for potential anticancer drug development.
Febs J., 287, 2020
6KJ8
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BU of 6kj8 by Molmil
E. coli ATCase holoenzyme mutant - G166P (catalytic chain)
分子名称: Aspartate carbamoyltransferase catalytic subunit, Aspartate carbamoyltransferase regulatory chain, ZINC ION
著者Lei, Z, Zheng, J, Jia, Z.C.
登録日2019-07-22
公開日2020-03-11
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.011 Å)
主引用文献New regulatory mechanism-based inhibitors of aspartate transcarbamoylase for potential anticancer drug development.
Febs J., 287, 2020
6KJA
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BU of 6kja by Molmil
E. coli ATCase holoenzyme mutant - G128/130A (catalytic chain)
分子名称: Aspartate carbamoyltransferase catalytic subunit, Aspartate carbamoyltransferase regulatory chain, ZINC ION
著者Lei, Z, Zheng, J, Jia, Z.C.
登録日2019-07-22
公開日2020-03-11
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.064 Å)
主引用文献New regulatory mechanism-based inhibitors of aspartate transcarbamoylase for potential anticancer drug development.
Febs J., 287, 2020
6V7O
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BU of 6v7o by Molmil
Structural Elucidation of Peptide Binding to KLHL-12, a Substrate Specific Adapter Protein in a Cul3-Ring E3 Ligase Complex
分子名称: Dvl3-peptide, Kelch-like protein 12
著者Zhao, B.
登録日2019-12-09
公開日2020-02-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural Elucidation of Peptide Binding to KLHL-12, a Substrate Specific Adapter Protein in a Cul3-Ring E3 Ligase Complex.
Biochemistry, 59, 2020
2TYS
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BU of 2tys by Molmil
CRYSTAL STRUCTURES OF MUTANT (BETAK87T) TRYPTOPHAN SYNTHASE ALPHA2 BETA2 COMPLEX WITH LIGANDS BOUND TO THE ACTIVE SITES OF THE ALPHA AND BETA SUBUNITS REVEAL LIGAND-INDUCED CONFORMATIONAL CHANGES
分子名称: SODIUM ION, TRYPTOPHAN SYNTHASE, [3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-L-TRYPTOPHANE
著者Rhee, S, Parris, K.D, Hyde, C.C, Ahmed, S.A, Miles, E.W, Davies, D.R.
登録日1997-01-08
公開日1997-04-01
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structures of a mutant (betaK87T) tryptophan synthase alpha2beta2 complex with ligands bound to the active sites of the alpha- and beta-subunits reveal ligand-induced conformational changes.
Biochemistry, 36, 1997
2TRS
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BU of 2trs by Molmil
CRYSTAL STRUCTURES OF MUTANT (BETAK87T) TRYPTOPHAN SYNTHASE ALPHA2 BETA2 COMPLEX WITH LIGANDS BOUND TO THE ACTIVE SITES OF THE ALPHA AND BETA SUBUNITS REVEAL LIGAND-INDUCED CONFORMATIONAL CHANGES
分子名称: INDOLE-3-PROPANOL PHOSPHATE, SODIUM ION, TRYPTOPHAN SYNTHASE, ...
著者Rhee, S, Parris, K.D, Hyde, C.C, Ahmed, S.A, Miles, E.W, Davies, D.R.
登録日1997-01-07
公開日1997-04-01
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Crystal structures of a mutant (betaK87T) tryptophan synthase alpha2beta2 complex with ligands bound to the active sites of the alpha- and beta-subunits reveal ligand-induced conformational changes.
Biochemistry, 36, 1997
2TSY
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BU of 2tsy by Molmil
CRYSTAL STRUCTURES OF MUTANT (BETAK87T) TRYPTOPHAN SYNTHASE ALPHA2 BETA2 COMPLEX WITH LIGANDS BOUND TO THE ACTIVE SITES OF THE ALPHA AND BETA SUBUNITS REVEAL LIGAND-INDUCED CONFORMATIONAL CHANGES
分子名称: SN-GLYCEROL-3-PHOSPHATE, SODIUM ION, TRYPTOPHAN SYNTHASE, ...
著者Rhee, S, Parris, K.D, Hyde, C.C, Ahmed, S.A, Miles, E.W, Davies, D.R.
登録日1997-01-03
公開日1997-04-01
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structures of a mutant (betaK87T) tryptophan synthase alpha2beta2 complex with ligands bound to the active sites of the alpha- and beta-subunits reveal ligand-induced conformational changes.
Biochemistry, 36, 1997
6NX1
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BU of 6nx1 by Molmil
STRUCTURE OF HUMAN PREGNANE X RECEPTOR LIGAND BINDING DOMAIN BOUND TETHERED WITH SRC CO-ACTIVATOR PEPTIDE AND COMPOUND-3 AKA 1,1,1,3,3,3-HEXAFLUORO-2-{4-[1-(4- LUOROBENZENESULFONYL)CYCLOPENTYL]PHENYL}PROPAN-2-OL
分子名称: 1,1,1,3,3,3-hexafluoro-2-(4-{1-[(4-fluorophenyl)sulfonyl]cyclopentyl}phenyl)propan-2-ol, Nuclear receptor subfamily 1 group I member 2,Nuclear receptor coactivator 1 fusion
著者Khan, J.A.
登録日2019-02-07
公開日2020-02-12
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Structure-based Discovery of Phenyl (3-Phenylpyrrolidin-3-yl)sulfones as Selective, Orally Active ROR gamma t Inverse Agonists.
Acs Med.Chem.Lett., 10, 2019
6O98
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Crystal structure of RAR-related orphan receptor C in complex with a phenyl (3-phenylpyrrolidin-3-yl)sulfone inhibitor
分子名称: 1-(4-{(3R)-3-[(4-fluorophenyl)sulfonyl]-3-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]pyrrolidine-1-carbonyl}piperazin-1-yl)ethan-1-one, Nuclear receptor ROR-gamma
著者Sack, J.S.
登録日2019-03-13
公開日2019-03-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Structure-based Discovery of Phenyl (3-Phenylpyrrolidin-3-yl)sulfones as Selective, Orally Active ROR gamma t Inverse Agonists.
ACS Med Chem Lett, 10, 2019

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