5T2W
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3N0D
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3B6Y
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![BU of 3b6y by Molmil](/molmil-images/mine/3b6y) | Crystal Structure of the Second HIN-200 Domain of Interferon-Inducible Protein 16 | Descriptor: | Gamma-interferon-inducible protein Ifi-16, SULFATE ION | Authors: | Liao, J.C.C, Lam, R, Ravichandran, M, Duan, S, Tempel, W, Chirgadze, N.Y, Arrowsmith, C.H, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2007-10-29 | Release date: | 2007-11-13 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Crystal Structure Analysis of the Second HIN Domain of IFI16. To be Published
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5TA2
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![BU of 5ta2 by Molmil](/molmil-images/mine/5ta2) | Discovery of a Potent Cyclophilin Inhibitor (Compound 7) based on Structural Simplification of Sanglifehrin A | Descriptor: | 11-[(3-hydroxyphenyl)methyl]-18-methoxy-2,17-dimethyl-14-(propan-2-yl)-3-oxa-9,12,15,28-tetraazatricyclo[21.3.1.1~5,9~]octacosa-1(27),21,23,25-tetraene-4,10,13,16-tetrone, Peptidyl-prolyl cis-trans isomerase A | Authors: | Appleby, T.C, Steadman, V, Pettit, S, Schmitz, U, Mackman, R.L, Schultz, B. | Deposit date: | 2016-09-09 | Release date: | 2017-01-25 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Discovery of Potent Cyclophilin Inhibitors Based on the Structural Simplification of Sanglifehrin A. J. Med. Chem., 60, 2017
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5TA4
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![BU of 5ta4 by Molmil](/molmil-images/mine/5ta4) | Discovery of a Potent Cyclophilin Inhibitor (Compound 8) based on Structural Simplification of Sanglifehrin A | Descriptor: | 18-methoxy-2,11,17-trimethyl-14-(propan-2-yl)-3-oxa-9,12,15,28-tetraazatricyclo[21.3.1.1~5,9~]octacosa-1(27),21,23,25-tetraene-4,10,13,16-tetrone, Peptidyl-prolyl cis-trans isomerase A, SULFATE ION | Authors: | Appleby, T.C, Steadman, V, Pettit, S, Schmitz, U, Mackman, R.L, Schultz, B. | Deposit date: | 2016-09-09 | Release date: | 2017-01-25 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Discovery of Potent Cyclophilin Inhibitors Based on the Structural Simplification of Sanglifehrin A. J. Med. Chem., 60, 2017
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3MXX
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1FGL
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![BU of 1fgl by Molmil](/molmil-images/mine/1fgl) | Cyclophilin A complexed with a fragment of HIV-1 GAG protein | Descriptor: | CYCLOPHILIN A, HIV-1 GAG PROTEIN | Authors: | Zhao, Y, Chen, Y, Schutkowski, M, Fischer, G, Ke, H. | Deposit date: | 1996-11-18 | Release date: | 1997-04-01 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Cyclophilin A complexed with a fragment of HIV-1 gag protein: insights into HIV-1 infectious activity. Structure, 5, 1997
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5TA6
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![BU of 5ta6 by Molmil](/molmil-images/mine/5ta6) | Crystal structure of PLK1 in complex with a novel 5,6-dihydroimidazolo[1,5-f]pteridine inhibitor. | Descriptor: | 4-{[(6R)-7-cyano-5-cyclopentyl-6-ethyl-5,6-dihydroimidazo[1,5-f]pteridin-3-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide, Serine/threonine-protein kinase PLK1, ZINC ION | Authors: | Skene, R.J, Hosfield, D.J. | Deposit date: | 2016-09-09 | Release date: | 2017-02-22 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure-based design and SAR development of 5,6-dihydroimidazolo[1,5-f]pteridine derivatives as novel Polo-like kinase-1 inhibitors. Bioorg. Med. Chem. Lett., 27, 2017
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1RHO
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![BU of 1rho by Molmil](/molmil-images/mine/1rho) | STRUCTURE OF RHO GUANINE NUCLEOTIDE DISSOCIATION INHIBITOR | Descriptor: | RHO GDP-DISSOCIATION INHIBITOR 1, SULFATE ION | Authors: | Keep, N.H, Moody, P.C.E, Roberts, G.C.K. | Deposit date: | 1996-10-12 | Release date: | 1997-10-15 | Last modified: | 2019-08-14 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | A modulator of rho family G proteins, rhoGDI, binds these G proteins via an immunoglobulin-like domain and a flexible N-terminal arm. Structure, 5, 1997
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1FSO
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![BU of 1fso by Molmil](/molmil-images/mine/1fso) | CRYSTAL STRUCTURE OF TRUNCATED HUMAN RHOGDI QUADRUPLE MUTANT | Descriptor: | RHO GDP-DISSOCIATION INHIBITOR 1 | Authors: | Longenecker, K.L, Garrard, S.M, Sheffield, P.J, Derewenda, Z.S. | Deposit date: | 2000-09-11 | Release date: | 2001-05-02 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Protein crystallization by rational mutagenesis of surface residues: Lys to Ala mutations promote crystallization of RhoGDI. Acta Crystallogr.,Sect.D, 57, 2001
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5TLW
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1U7B
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1FD0
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![BU of 1fd0 by Molmil](/molmil-images/mine/1fd0) | ISOTYPE SELECTIVITY OF THE HUMAN RETINOIC ACID NUCLEAR RECEPTOR HRAR: THE COMPLEX WITH THE RARGAMMA-SELECTIVE RETINOID SR11254 | Descriptor: | 6-[HYDROXYIMINO-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRO-NAPHTALEN-2-YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID, DODECYL-ALPHA-D-MALTOSIDE, RETINOIC ACID RECEPTOR GAMMA-1 | Authors: | Klaholz, B.P, Moras, D, Structural Proteomics in Europe (SPINE) | Deposit date: | 2000-07-19 | Release date: | 2002-09-27 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | C-H...O hydrogen bonds in the nuclear receptor RARgamma--a potential tool for drug selectivity. Structure, 10, 2002
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5TEG
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1XKT
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![BU of 1xkt by Molmil](/molmil-images/mine/1xkt) | Human fatty acid synthase: Structure and substrate selectivity of the thioesterase domain | Descriptor: | fatty acid synthase | Authors: | Chakravarty, B, Gu, Z, Chirala, S.S, Wakil, S.J, Quiocho, F.A. | Deposit date: | 2004-09-29 | Release date: | 2004-10-26 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Human fatty acid synthase: structure and substrate selectivity of the thioesterase domain. Proc.Natl.Acad.Sci.Usa, 101, 2004
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1XG1
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![BU of 1xg1 by Molmil](/molmil-images/mine/1xg1) | Solution structure of Myb-domain of human TRF2 | Descriptor: | Telomeric repeat binding factor 2 | Authors: | Paquet, F, Meudal, H, Amiard, S, Doudeau, M, Paoletti, J, Giraud-Panis, M.J, Lancelot, G. | Deposit date: | 2004-09-16 | Release date: | 2005-09-27 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | NMR studies of telomeric nucleoprotein complexes involving the Myb-like domain of the human telomeric protein TRF2 C.R.Chimie, 9, 2006
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3MB4
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![BU of 3mb4 by Molmil](/molmil-images/mine/3mb4) | Crystal Structure of the fifth Bromodomain of Human Poly-bromodomain containing protein 1 (PB1) with NMP | Descriptor: | 1,2-ETHANEDIOL, 1-methylpyrrolidin-2-one, CHLORIDE ION, ... | Authors: | Filippakopoulos, P, Picaud, S, Keates, T, Ugochukwu, E, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2010-03-25 | Release date: | 2010-04-14 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Histone recognition and large-scale structural analysis of the human bromodomain family. Cell(Cambridge,Mass.), 149, 2012
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1U3J
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![BU of 1u3j by Molmil](/molmil-images/mine/1u3j) | Crystal structure of MLAV mutant of dimerisation domain of NF-kB p50 transcription factor | Descriptor: | Nuclear factor NF-kappa-B p105 subunit | Authors: | Chirgadze, D.Y, Demydchuk, M, Becker, M, Moran, S, Paoli, M. | Deposit date: | 2004-07-22 | Release date: | 2004-08-17 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.901 Å) | Cite: | Snapshot of Protein Structure Evolution Reveals Conservation of Functional Dimerization through Intertwined Folding Structure, 12, 2004
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5S9R
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![BU of 5s9r by Molmil](/molmil-images/mine/5s9r) | CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH BMS-986158, 2-{3-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-5-[(S)-(oxan-4-yl)(phenyl)methyl]-5H-pyrido[3,2-b]indol-7-yl}propan-2-ol | Descriptor: | 1,2-ETHANEDIOL, 2-{3-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-5-[(S)-(oxan-4-yl)(phenyl)methyl]-5H-pyrido[3,2-b]indol-7-yl}propan-2-ol, Bromodomain-containing protein 4, ... | Authors: | Sheriff, S. | Deposit date: | 2021-04-01 | Release date: | 2021-09-29 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Discovery and Preclinical Pharmacology of an Oral Bromodomain and Extra-Terminal (BET) Inhibitor Using Scaffold-Hopping and Structure-Guided Drug Design. J.Med.Chem., 64, 2021
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5S9P
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![BU of 5s9p by Molmil](/molmil-images/mine/5s9p) | CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH 9-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-hydroxypropan-2-yl)-9H-carbazole-4-carboxamide | Descriptor: | 1,2-ETHANEDIOL, 9-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-hydroxypropan-2-yl)-9H-carbazole-4-carboxamide, Bromodomain-containing protein 4 | Authors: | Sheriff, S. | Deposit date: | 2021-04-01 | Release date: | 2021-09-29 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Discovery and Preclinical Pharmacology of an Oral Bromodomain and Extra-Terminal (BET) Inhibitor Using Scaffold-Hopping and Structure-Guided Drug Design. J.Med.Chem., 64, 2021
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5S9Q
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![BU of 5s9q by Molmil](/molmil-images/mine/5s9q) | CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH 2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-hydroxypropan-2-yl)-9-[(S)-(oxan-4-yl)(phenyl)methyl]-9H-carbazole-4-carboxamide | Descriptor: | 1,2-ETHANEDIOL, 2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-hydroxypropan-2-yl)-9-[(S)-(oxan-4-yl)(phenyl)methyl]-9H-carbazole-4-carboxamide, Bromodomain-containing protein 4 | Authors: | Sheriff, S. | Deposit date: | 2021-04-01 | Release date: | 2021-09-29 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Discovery and Preclinical Pharmacology of an Oral Bromodomain and Extra-Terminal (BET) Inhibitor Using Scaffold-Hopping and Structure-Guided Drug Design. J.Med.Chem., 64, 2021
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3NC0
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![BU of 3nc0 by Molmil](/molmil-images/mine/3nc0) | Crystal structure of the HIV-1 Rev NES-CRM1-RanGTP nuclear export complex (crystal II) | Descriptor: | DI(HYDROXYETHYL)ETHER, Exportin-1, GLYCEROL, ... | Authors: | Guttler, T, Madl, T, Neumann, P, Deichsel, D, Corsini, L, Monecke, T, Ficner, R, Sattler, M, Gorlich, D. | Deposit date: | 2010-06-04 | Release date: | 2010-10-27 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | NES consensus redefined by structures of PKI-type and Rev-type nuclear export signals bound to CRM1. Nat.Struct.Mol.Biol., 17, 2010
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1CWK
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![BU of 1cwk by Molmil](/molmil-images/mine/1cwk) | HUMAN CYCLOPHILIN A COMPLEXED WITH 1-(6,7-DIHYDRO)MEBMT 2-VAL 3-D-(2-S-METHYL)SARCOSINE CYCLOSPORIN | Descriptor: | CYCLOSPORIN D, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A | Authors: | Mikol, V, Kallen, J, Taylor, P, Walkinshaw, M.D. | Deposit date: | 1998-05-26 | Release date: | 1998-07-15 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | X-Ray Structures and Analysis of 11 Cyclosporin Derivatives Complexed with Cyclophilin A. J.Mol.Biol., 283, 1998
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3N0E
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3AV4
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![BU of 3av4 by Molmil](/molmil-images/mine/3av4) | Crystal structure of mouse DNA methyltransferase 1 | Descriptor: | DNA (cytosine-5)-methyltransferase 1, ZINC ION | Authors: | Takeshita, K, Suetake, I, Yamashita, E, Suga, M, Narita, H, Nakagawa, A, Tajima, S. | Deposit date: | 2011-02-22 | Release date: | 2011-05-04 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Structural insight into maintenance methylation by mouse DNA methyltransferase 1 (Dnmt1). Proc.Natl.Acad.Sci.USA, 108, 2011
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