2ILN
| Crystal structure of the Bowman-Birk inhibitor from snail medic seeds in complex with bovine trypsin | 分子名称: | Bowman-Birk type proteinase inhibitor, Cationic trypsin | 著者 | Capaldi, S, Perduca, M, Faggion, B, Carrizo, M.E, Tava, A, Ragona, L, Monaco, H.L. | 登録日 | 2006-10-03 | 公開日 | 2007-04-10 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Crystal structure of the anticarcinogenic Bowman-Birk inhibitor from snail medic (Medicago scutellata) seeds complexed with bovine trypsin J.Struct.Biol., 158, 2007
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6UPJ
| HIV-2 PROTEASE/U99294 COMPLEX | 分子名称: | 6,7,8,9-TETRAHYDRO-4-HYDROXY-3-(1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN-2-ONE, HIV-2 PROTEASE | 著者 | Watenpaugh, K.D, Mulichak, A.M, Finzel, B.C. | 登録日 | 1996-12-10 | 公開日 | 1997-04-21 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.34 Å) | 主引用文献 | Use of medium-sized cycloalkyl rings to enhance secondary binding: discovery of a new class of human immunodeficiency virus (HIV) protease inhibitors. J.Med.Chem., 38, 1995
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1I73
| COMPLEX OF PRO-LEU-L-TRP PHOSPHONATE WITH THE CATALITIC DOMAIN OF MATRIX METALLO PROTEINASE-8 (MET80 FORM) | 分子名称: | CALCIUM ION, NEUTROPHIL COLLAGENASE, THREE RESIDUE PEPTIDE INHIBITOR, ... | 著者 | Gavuzzo, E, Pochetti, G, Mazza, F, Gallina, C, Gorini, B, D'Alessio, S, Pieper, M, Tschesche, H, Tucker, P.A. | 登録日 | 2001-03-07 | 公開日 | 2001-03-21 | 最終更新日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Two crystal structures of human neutrophil collagenase, one complexed with a primed- and the other with an unprimed-side inhibitor: implications for drug design. J.Med.Chem., 43, 2000
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1I76
| COMPLEX OF 2-(BIPHENYL-4-SULFONYL)-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID (D-TIC DERIVATIVE) WITH T CATALITIC DOMAIN OF MATRIX METALLO PROTEINASE-8 (MET80 FORM) | 分子名称: | 2-(BIPHENYL-4-SULFONYL)-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID, CALCIUM ION, NEUTROPHIL COLLAGENASE, ... | 著者 | Gavuzzo, E, Pochetti, G, Mazza, F, Gallina, C, Gorini, B, D'Alessio, S, Pieper, M, Tschesche, H, Tucker, P.A. | 登録日 | 2001-03-08 | 公開日 | 2001-03-21 | 最終更新日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Two crystal structures of human neutrophil collagenase, one complexed with a primed- and the other with an unprimed-side inhibitor: implications for drug design. J.Med.Chem., 43, 2000
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7UFV
| Crystal structure of the WDR domain of human DCAF1 in complex with OICR-6766 | 分子名称: | (3P)-N-[(1S)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-3-(2-fluorophenyl)-1H-pyrazole-4-carboxamide, DDB1- and CUL4-associated factor 1, UNKNOWN ATOM OR ION | 著者 | Kimani, S, Li, A, Li, Y, Dong, A, Hutchinson, A, Seitova, A, Wilson, B, Al-Awar, R, Vedadi, M, Brown, P, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | 登録日 | 2022-03-23 | 公開日 | 2022-05-04 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Discovery of Nanomolar DCAF1 Small Molecule Ligands. J.Med.Chem., 66, 2023
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5UPJ
| HIV-2 PROTEASE/U99283 COMPLEX | 分子名称: | 5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY-3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN-2-ONE, HIV-2 PROTEASE | 著者 | Watenpaugh, K.D, Mulichak, A.M, Finzel, B.C. | 登録日 | 1996-12-10 | 公開日 | 1997-04-21 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Use of medium-sized cycloalkyl rings to enhance secondary binding: discovery of a new class of human immunodeficiency virus (HIV) protease inhibitors. J.Med.Chem., 38, 1995
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2L7S
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7N2A
| human PXR LBD bound to compound 2 | 分子名称: | 5-benzyl-2-(3-fluoro-2-hydroxyphenyl)-6-methyl-3-(2-phenylethyl)pyrimidin-4(3H)-one, Isoform 1C of Nuclear receptor subfamily 1 group I member 2 | 著者 | Williams, S.P, Wisely, G.B, Ramanjulu, J.M. | 登録日 | 2021-05-28 | 公開日 | 2021-08-25 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.26 Å) | 主引用文献 | Overcoming the Pregnane X Receptor Liability: Rational Design to Eliminate PXR-Mediated CYP Induction. Acs Med.Chem.Lett., 12, 2021
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6DXK
| Glucocorticoid Receptor in complex with Compound 11 | 分子名称: | (8S,11R,13S,14S,17S)-11-[4-(dimethylamino)phenyl]-17-(3,3-dimethylbut-1-yn-1-yl)-17-hydroxy-13-methyl-1,2,6,7,8,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one (non-preferred name), Glucocorticoid receptor | 著者 | Rew, Y, Du, X, Eksterowicz, J, Zhou, H, Jahchan, N, Zhu, L, Yan, X, Kawai, H, McGee, L.R, Medina, J.C, Huang, T, Chen, C, Zavorotinskaya, T, Sutimantanapi, D, Waszczuk, J, Jackson, E, Huang, E, Ye, Q, Fantin, V.R, Daqing, S. | 登録日 | 2018-06-29 | 公開日 | 2018-10-03 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (3.05 Å) | 主引用文献 | Discovery of a Potent and Selective Steroidal Glucocorticoid Receptor Antagonist (ORIC-101). J. Med. Chem., 61, 2018
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8YRG
| CryoEM structure of fospropofol-bound MRGPRX4-Gq complex | 分子名称: | Gs-mini-Gq chimera, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | 著者 | Cao, C, Fay, J.F, Roth, B.L. | 登録日 | 2024-03-21 | 公開日 | 2024-05-22 | 実験手法 | ELECTRON MICROSCOPY (3.14 Å) | 主引用文献 | MRGPRX4 mediates phospho-drug-associated pruritus in a humanized mouse model. Sci Transl Med, 16, 2024
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8PXA
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6BG5
| Structure of 1-(benzo[d][1,3]dioxol-5-ylmethyl)-1-(1-propylpiperidin-4-yl)-3-(3-(trifluoromethyl)phenyl)urea bound to DCN1 | 分子名称: | Endolysin, DCN1-like protein 1 chimera, N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(1-propylpiperidin-4-yl)-N'-[3-(trifluoromethyl)phenyl]urea | 著者 | Guy, R.K, Schulman, B.A, Scott, D.C, Hammill, J.T. | 登録日 | 2017-10-27 | 公開日 | 2018-09-26 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | 主引用文献 | Piperidinyl Ureas Chemically Control Defective in Cullin Neddylation 1 (DCN1)-Mediated Cullin Neddylation. J. Med. Chem., 61, 2018
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6BG3
| Structure of (3S,4S)-1-benzyl-4-(3-(3-(trifluoromethyl)phenyl)ureido)piperidin-3-yl acetate bound to DCN1 | 分子名称: | Endolysin, DCN1-like protein 1 chimera, N-{(3S,4S)-1-benzyl-3-[(1S)-1-hydroxyethoxy]piperidin-4-yl}-N'-[3-(trifluoromethyl)phenyl]urea | 著者 | Guy, R.K, Schulman, B.A, Scott, D.C, Hammill, J.T. | 登録日 | 2017-10-27 | 公開日 | 2018-09-26 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.05 Å) | 主引用文献 | Piperidinyl Ureas Chemically Control Defective in Cullin Neddylation 1 (DCN1)-Mediated Cullin Neddylation. J. Med. Chem., 61, 2018
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7ENC
| TFIID-based PIC-Mediator holo-complex in fully-assembled state (hPIC-MED) | 分子名称: | CDK-activating kinase assembly factor MAT1, Cyclin-H, Cyclin-dependent kinase 7, ... | 著者 | Chen, X, Qi, Y, Wang, X, Wu, Z, Yin, X, Li, J, Liu, W, Xu, Y. | 登録日 | 2021-04-16 | 公開日 | 2021-05-26 | 最終更新日 | 2021-06-16 | 実験手法 | ELECTRON MICROSCOPY (4.13 Å) | 主引用文献 | Structures of the human Mediator and Mediator-bound preinitiation complex. Science, 372, 2021
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4V1O
| Architecture of the RNA polymerase II-Mediator core transcription initiation complex | 分子名称: | DNA-DIRECTED RNA POLYMERASE II SUBUNIT RPB1, DNA-DIRECTED RNA POLYMERASE II SUBUNIT RPB11, DNA-DIRECTED RNA POLYMERASE II SUBUNIT RPB2, ... | 著者 | Plaschka, C, Lariviere, L, Wenzeck, L, Hemann, M, Tegunov, D, Petrotchenko, E.V, Borchers, C.H, Baumeister, W, Herzog, F, Villa, E, Cramer, P. | 登録日 | 2014-09-29 | 公開日 | 2015-02-04 | 最終更新日 | 2024-05-08 | 実験手法 | ELECTRON MICROSCOPY (9.7 Å) | 主引用文献 | Architecture of the RNA Polymerase II-Mediator Core Initiation Complex. Nature, 518, 2015
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7QB1
| PPARg in complex with inhibitor | 分子名称: | 3-[(3,4-dichlorophenyl)methyl]-4-oxidanylidene-6-phenoxy-phthalazine-1-carboxylic acid, Peroxisome proliferator-activated receptor gamma, SULFATE ION | 著者 | Petersen, J. | 登録日 | 2021-11-17 | 公開日 | 2022-05-04 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Discovery by Virtual Screening of an Inhibitor of CDK5-Mediated PPAR gamma Phosphorylation. Acs Med.Chem.Lett., 13, 2022
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5N2F
| Structure of PD-L1/small-molecule inhibitor complex | 分子名称: | 4-[[4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-phenyl]methoxy]-2,5-bis(fluoranyl)phenyl]methylamino]-3-oxidanylidene-butanoic acid, Programmed cell death 1 ligand 1 | 著者 | Guzik, K, Zak, K.M, Grudnik, P, Dubin, G, Holak, T.A. | 登録日 | 2017-02-07 | 公開日 | 2017-06-28 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Small-Molecule Inhibitors of the Programmed Cell Death-1/Programmed Death-Ligand 1 (PD-1/PD-L1) Interaction via Transiently Induced Protein States and Dimerization of PD-L1. J. Med. Chem., 60, 2017
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7ENA
| TFIID-based PIC-Mediator holo-complex in pre-assembled state (pre-hPIC-MED) | 分子名称: | CDK-activating kinase assembly factor MAT1, Cyclin-H, Cyclin-dependent kinase 7, ... | 著者 | Chen, X, Qi, Y, Wang, X, Wu, Z, Yin, X, Li, J, Liu, W, Xu, Y. | 登録日 | 2021-04-16 | 公開日 | 2021-05-26 | 最終更新日 | 2021-06-16 | 実験手法 | ELECTRON MICROSCOPY (4.07 Å) | 主引用文献 | Structures of the human Mediator and Mediator-bound preinitiation complex. Science, 372, 2021
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8T9D
| CryoEM structure of TR-TRAP | 分子名称: | Mediator of RNA polymerase II transcription subunit 1, Mediator of RNA polymerase II transcription subunit 10, Mediator of RNA polymerase II transcription subunit 11, ... | 著者 | Zhao, H, Asturias, F. | 登録日 | 2023-06-23 | 公開日 | 2024-07-03 | 最終更新日 | 2024-07-17 | 実験手法 | ELECTRON MICROSCOPY (4.66 Å) | 主引用文献 | An IDR-dependent mechanism for nuclear receptor control of Mediator interaction with RNA polymerase II. Mol.Cell, 2024
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8EPA
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7ENJ
| Human Mediator (deletion of MED1-IDR) in a Tail-bent conformation (MED-B) | 分子名称: | Isoform 2 of Mediator of RNA polymerase II transcription subunit 8, Mediator of RNA polymerase II transcription subunit 1, Mediator of RNA polymerase II transcription subunit 10, ... | 著者 | Yin, X, Li, J, Wu, Z, Liu, W, Xu, Y. | 登録日 | 2021-04-17 | 公開日 | 2021-05-19 | 最終更新日 | 2024-06-05 | 実験手法 | ELECTRON MICROSCOPY (4.4 Å) | 主引用文献 | Structures of the human Mediator and Mediator-bound preinitiation complex. Science, 372, 2021
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8PX2
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8PX8
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7RIV
| human PXR LBD bound to GSK001 | 分子名称: | Dabrafenib, Isoform 1C of Nuclear receptor subfamily 1 group I member 2 | 著者 | Williams, S.P, Wisely, G.B, Ward, P. | 登録日 | 2021-07-20 | 公開日 | 2021-08-25 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Overcoming the Pregnane X Receptor Liability: Rational Design to Eliminate PXR-Mediated CYP Induction. Acs Med.Chem.Lett., 12, 2021
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7RIO
| human PXR LBD bound to GSK003 | 分子名称: | Isoform 1C of Nuclear receptor subfamily 1 group I member 2, N-[3-(2-tert-butyl-5-{2-[2-(methanesulfonyl)ethyl]pyrimidin-4-yl}-1,3-thiazol-4-yl)-2-fluorophenyl]-2,5-difluorobenzene-1-sulfonamide | 著者 | Williams, S.P, Wisely, G.B, Ward, P. | 登録日 | 2021-07-20 | 公開日 | 2021-08-25 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.48 Å) | 主引用文献 | Overcoming the Pregnane X Receptor Liability: Rational Design to Eliminate PXR-Mediated CYP Induction. Acs Med.Chem.Lett., 12, 2021
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