1CI5
 
 | | GLYCAN-FREE MUTANT ADHESION DOMAIN OF HUMAN CD58 (LFA-3) | | Descriptor: | PROTEIN (LYMPHOCYTE FUNCTION-ASSOCIATED ANTIGEN 3(CD58)) | | Authors: | Sun, Z.Y.J, Dotsch, V, Kim, M, Li, J, Reinherz, E.L, Wagner, G. | | Deposit date: | 1999-04-07 | | Release date: | 1999-06-22 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | Functional glycan-free adhesion domain of human cell surface receptor CD58: design, production and NMR studies.
EMBO J., 18, 1999
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3JPT
 | | Ternary complex of DNA polymerase beta with a dideoxy terminated primer and 2'-deoxyguanosine 5'-beta, gamma-fluoro chloro methylene triphosphate | | Descriptor: | 5'-D(*CP*CP*GP*AP*CP*CP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*(DOC))-3', 5'-D(P*GP*TP*CP*GP*G)-3', ... | | Authors: | Batra, V.K, Upton, J, Kashmerov, B, Beard, W.A, Wilson, S.H, Goodman, M.F, McKenna, C.E. | | Deposit date: | 2009-09-04 | | Release date: | 2010-06-02 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Halogenated beta,gamma-Methylene- and Ethylidene-dGTP-DNA Ternary Complexes with DNA Polymerase beta: Structural Evidence for Stereospecific Binding of the Fluoromethylene Analogues.
J.Am.Chem.Soc., 132, 2010
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1CN4
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5IJ8
 | | Structure of the primary oncogenic mutant Y641N Hs/AcPRC2 in complex with a pyridone inhibitor | | Descriptor: | 5,8-dichloro-2-[(4-ethyl-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-7-({1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl}oxy)-3,4-dihydroisoquinolin-1(2H)-one, Enhancer of Zeste Homolog 2 (EZH2),Histone-lysine N-methyltransferase EZH2, Polycomb protein EED, ... | | Authors: | Gajiwala, K.S, Brooun, A, Deng, Y.-L, Liu, W. | | Deposit date: | 2016-03-01 | | Release date: | 2016-05-04 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.99 Å) | | Cite: | Polycomb repressive complex 2 structure with inhibitor reveals a mechanism of activation and drug resistance.
Nat Commun, 7, 2016
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4ZG6
 | | Structural basis for inhibition of human autotaxin by four novel compounds | | Descriptor: | 4-{(Z)-2-[6-chloro-1-(4-fluorobenzyl)-1H-indol-3-yl]-1-cyanoethenyl}benzoic acid, CALCIUM ION, Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, ... | | Authors: | Stein, A.J, Bain, G, Hutchinson, J.H, Evans, J.F. | | Deposit date: | 2015-04-22 | | Release date: | 2015-10-14 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural Basis for Inhibition of Human Autotaxin by Four Potent Compounds with Distinct Modes of Binding.
Mol.Pharmacol., 88, 2015
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5V51
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5IDP
 | | CDK8-CYCC IN COMPLEX WITH (3-Amino-1H-indazol-5-yl)-[(S)-2-(4-fluoro-phenyl)-piperidin-1-yl]-methanone | | Descriptor: | (3-amino-1H-indazol-5-yl)[(2S)-2-(4-fluorophenyl)piperidin-1-yl]methanone, Cyclin-C, Cyclin-dependent kinase 8, ... | | Authors: | Musil, D, Blagg, J, Mallinger, A, Czodrowski, P, Schiemann, K. | | Deposit date: | 2016-02-24 | | Release date: | 2016-12-21 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Structure-Based Optimization of Potent, Selective, and Orally Bioavailable CDK8 Inhibitors Discovered by High-Throughput Screening.
J. Med. Chem., 59, 2016
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5UYX
 | | Structure of Human T-complex protein 1 subunit epsilon (CCT5) | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, T-complex protein 1 subunit epsilon | | Authors: | Pereira, J.H, McAndrew, R.P, Sergeeva, O.A, Ralston, C.Y, King, J.A, Adams, P.D. | | Deposit date: | 2017-02-24 | | Release date: | 2017-07-05 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Structure of the human TRiC/CCT Subunit 5 associated with hereditary sensory neuropathy.
Sci Rep, 7, 2017
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5V80
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3JS3
 | | Crystal structure of type I 3-dehydroquinate dehydratase (aroD) from Clostridium difficile with covalent reaction intermediate | | Descriptor: | 3-AMINO-4,5-DIHYDROXY-CYCLOHEX-1-ENECARBOXYLATE, 3-dehydroquinate dehydratase | | Authors: | Minasov, G, Light, S.H, Shuvalova, L, Dubrovska, I, Winsor, J, Peterson, S.N, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2009-09-09 | | Release date: | 2009-09-22 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Insights into the mechanism of type I dehydroquinate dehydratases from structures of reaction intermediates.
J.Biol.Chem., 286, 2011
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3L0E
 | | X-ray crystal structure of a Potent Liver X Receptor Modulator | | Descriptor: | N-(2-chloro-6-fluorobenzyl)-1-methyl-N-{[3'-(methylsulfonyl)biphenyl-4-yl]methyl}-1H-imidazole-4-sulfonamide, Nuclear receptor coactivator 2, Oxysterols receptor LXR-beta | | Authors: | Gampe Jr, R.T. | | Deposit date: | 2009-12-09 | | Release date: | 2010-04-07 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Discovery of tertiary sulfonamides as potent liver X receptor antagonists.
J.Med.Chem., 53, 2010
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1RHS
 | | SULFUR-SUBSTITUTED RHODANESE | | Descriptor: | SULFUR-SUBSTITUTED RHODANESE | | Authors: | Zanotti, G, Gliubich, F, Colapietro, M, Barba, L. | | Deposit date: | 1997-07-16 | | Release date: | 1998-01-21 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | Structure of sulfur-substituted rhodanese at 1.36 A resolution.
Acta Crystallogr.,Sect.D, 54, 1998
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5VC0
 | | Crystal structure of human CYP3A4 bound to ritonavir | | Descriptor: | Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, RITONAVIR | | Authors: | Sevrioukova, I. | | Deposit date: | 2017-03-30 | | Release date: | 2017-05-31 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | High-Level Production and Properties of the Cysteine-Depleted Cytochrome P450 3A4.
Biochemistry, 56, 2017
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5VCE
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5ISH
 | | Crystal structure of mouse CARM1 in complex with inhibitor SA0765 | | Descriptor: | 1,2-DIMETHOXYETHANE, 1,2-ETHANEDIOL, 1-METHOXY-2-(2-METHOXYETHOXY)ETHANE, ... | | Authors: | Cura, V, Marechal, N, Mailliot, J, Troffer-Charlier, N, Hassenboehler, P, Wurtz, J.M, Bonnefond, L, Cavarelli, J. | | Deposit date: | 2016-03-15 | | Release date: | 2017-03-15 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.152 Å) | | Cite: | Crystal structure of mouse CARM1 in complex with inhibitor SA0765
To Be Published
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5V50
 | | Crystal Structure of MpPR-1i | | Descriptor: | PR-1 protein | | Authors: | Luo, Z, Asojo, O. | | Deposit date: | 2017-03-12 | | Release date: | 2017-08-30 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | Crystal Structure of MpPR-1i, a SCP/TAPS protein from Moniliophthora perniciosa, the fungus that causes Witches' Broom Disease of Cacao.
Sci Rep, 7, 2017
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4WHW
 | | Direct photocapture of bromodomains using tropolone chemical probes | | Descriptor: | 1,2-ETHANEDIOL, 2-methoxy-4-{1-[2-(morpholin-4-yl)ethyl]-2-(2-phenylethyl)-1H-benzimidazol-5-yl}cyclohepta-2,4,6-trien-1-one, Bromodomain-containing protein 4 | | Authors: | Hett, E.C, Piatnitski Chekler, E.L, Basak, A, Bonin, P.D, Denny, R.A, Flick, A.C, Geoghegan, K.F, Liu, S, Pletcher, M.T, Robinson, R.P, Sahasrabudhe, P, Salter, S, Stock, I.A, Jones, L.H. | | Deposit date: | 2014-09-23 | | Release date: | 2015-10-28 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.345 Å) | | Cite: | Direct photocapture of bromodomains using tropolone chemical probes
To Be Published
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1RLB
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1RHF
 | | Crystal Structure of human Tyro3-D1D2 | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETATE ION, Tyrosine-protein kinase receptor TYRO3, ... | | Authors: | Heiring, C, Dahlback, B, Muller, Y.A. | | Deposit date: | 2003-11-14 | | Release date: | 2004-03-23 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Ligand recognition and homophilic interactions in Tyro3: structural insights into the Axl/Tyro3 receptor tyrosine kinase family.
J.Biol.Chem., 279, 2004
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4WHF
 | | Crystal Structure of TR3 LBD in complex with 1-(3,4,5-trihydroxyphenyl)decan-1-one | | Descriptor: | 1-(3,4,5-trihydroxyphenyl)decan-1-one, GLYCEROL, Nuclear receptor subfamily 4 group A member 1 | | Authors: | Li, F.W, Cai, Q.X, Li, A.Z, Tian, X.Y, Wang, W.J, Wang, Y, Hou, P.P, Wu, Q, Lin, T.W. | | Deposit date: | 2014-09-22 | | Release date: | 2015-09-09 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Induction of Autophagic Death in Cancer Cells by Agonizing TR3 and Attenuating Akt2 Activity
Chem.Biol., 22, 2015
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3KQY
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3KRX
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3KQO
 | | Crystal Structure of hPNMT in Complex AdoHcy and 6-Chloropurine | | Descriptor: | 6-chloro-9H-purine, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | | Authors: | Drinkwater, N, Martin, J.L. | | Deposit date: | 2009-11-17 | | Release date: | 2010-09-29 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors.
Biochem.J., 431, 2010
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3KR1
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1CRB
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