4HBV
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![BU of 4hbv by Molmil](/molmil-images/mine/4hbv) | Crystal Structure of the first bromodomain of human BRD4 in complex with a quinazolin ligand | Descriptor: | 1,2-ETHANEDIOL, 6-bromo-3-methyl-3,4-dihydroquinazolin-2(1H)-one, Bromodomain-containing protein 4 | Authors: | Filippakopoulos, P, Picaud, S, Qi, J, Felletar, I, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Fish, P.V, Bunnage, M.E, Cook, A.S, Owen, D.R, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2012-09-28 | Release date: | 2012-10-31 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Identification of a Chemical Probe for Bromo and Extra C-Terminal Bromodomain Inhibition through Optimization of a Fragment-Derived Hit. J.Med.Chem., 55, 2012
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4GPJ
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![BU of 4gpj by Molmil](/molmil-images/mine/4gpj) | Crystal Structure of the first bromodomain of human BRD4 in complex with a isoxazolylbenzimidazole ligand | Descriptor: | (1R)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-phenyl-2,3-dihydro-1H-inden-1-ol, 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ... | Authors: | Filippakopoulos, P, Picaud, S, Qi, J, Felletar, I, Heightman, T.D, Brennan, P, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2012-08-21 | Release date: | 2012-10-17 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The design and synthesis of 5- and 6-isoxazolylbenzimidazoles as selective inhibitors of the BET bromodomains. Medchemcomm, 4, 2013
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4HBW
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![BU of 4hbw by Molmil](/molmil-images/mine/4hbw) | Crystal Structure of the first bromodomain of human BRD4 in complex with a quinazoline ligand | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, N-ethyl-3-methyl-2-oxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamide, ... | Authors: | Filippakopoulos, P, Picaud, S, Qi, J, Felletar, I, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Fish, P.V, Bunnage, M.E, Cook, A.S, Owen, D.R, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2012-09-28 | Release date: | 2012-10-31 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Identification of a Chemical Probe for Bromo and Extra C-Terminal Bromodomain Inhibition through Optimization of a Fragment-Derived Hit. J.Med.Chem., 55, 2012
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1CGO
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![BU of 1cgo by Molmil](/molmil-images/mine/1cgo) | CYTOCHROME C' | Descriptor: | CYTOCHROME C, HEME C | Authors: | Dobbs, A.J, Faber, H.R, Anderson, B.F, Baker, E.N. | Deposit date: | 1995-05-01 | Release date: | 1995-07-31 | Last modified: | 2020-01-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Three-dimensional structure of cytochrome c' from two Alcaligenes species and the implications for four-helix bundle structures. Acta Crystallogr.,Sect.D, 52, 1996
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3TIQ
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![BU of 3tiq by Molmil](/molmil-images/mine/3tiq) | Crystal structure of Staphylococcus aureus SasG G51-E-G52 module | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MAGNESIUM ION, Surface protein G | Authors: | Gruszka, D.T, Wojdyla, J.A, Turkenburg, J.P, Potts, J.R. | Deposit date: | 2011-08-21 | Release date: | 2012-04-18 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.8739 Å) | Cite: | Staphylococcal biofilm-forming protein has a contiguous rod-like structure. Proc.Natl.Acad.Sci.USA, 109, 2012
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1CGN
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![BU of 1cgn by Molmil](/molmil-images/mine/1cgn) | CYTOCHROME C' | Descriptor: | CYTOCHROME C, HEME C | Authors: | Dobbs, A.J, Faber, H.R, Anderson, B.F, Baker, E.N. | Deposit date: | 1995-05-01 | Release date: | 1995-07-31 | Last modified: | 2020-01-22 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Three-dimensional structure of cytochrome c' from two Alcaligenes species and the implications for four-helix bundle structures. Acta Crystallogr.,Sect.D, 52, 1996
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6GPK
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![BU of 6gpk by Molmil](/molmil-images/mine/6gpk) | Crystal structure of human GDP-D-mannose 4,6-dehydratase (E157Q) in complex with GDP-Man | Descriptor: | 1,2-ETHANEDIOL, GDP-mannose 4,6 dehydratase, GLYCEROL, ... | Authors: | Pfeiffer, M, Krojer, T, Johansson, C, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Nidetzky, B, Oppermann, U, Structural Genomics Consortium (SGC) | Deposit date: | 2018-06-06 | Release date: | 2018-07-18 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | A Parsimonious Mechanism of Sugar Dehydration by Human GDP-Mannose-4,6-dehydratase. Acs Catalysis, 9, 2019
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4K60
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![BU of 4k60 by Molmil](/molmil-images/mine/4k60) | Crystal Structure of Human Chymase in Complex with Fragment 6-bromo-1,3-dihydro-2H-indol-2-one | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-bromo-1,3-dihydro-2H-indol-2-one, Chymase, ... | Authors: | Collins, B.K, Padyana, A.K. | Deposit date: | 2013-04-15 | Release date: | 2013-05-29 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Discovery of Potent, Selective Chymase Inhibitors via Fragment Linking Strategies. J.Med.Chem., 56, 2013
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4K2Y
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![BU of 4k2y by Molmil](/molmil-images/mine/4k2y) | Crystal Structure of Human Chymase in Complex with Fragment Inhibitor 6-chloro-1,3-dihydro-2H-indol-2-one | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-chloro-1,3-dihydro-2H-indol-2-one, Chymase, ... | Authors: | Collins, B.K, Padyana, A.K. | Deposit date: | 2013-04-09 | Release date: | 2013-05-29 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery of Potent, Selective Chymase Inhibitors via Fragment Linking Strategies. J.Med.Chem., 56, 2013
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1T2A
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![BU of 1t2a by Molmil](/molmil-images/mine/1t2a) | Crystal structure of human GDP-D-mannose 4,6-dehydratase | Descriptor: | GDP-mannose 4,6 dehydratase, GUANOSINE-5'-DIPHOSPHATE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Walker, J.R, Vedadi, M, Sharma, S, Houston, S, Wasney, G, Loppnau, P, Sundstrom, M, Arrowsmith, C, Edwards, A, Oppermann, U. | Deposit date: | 2004-04-20 | Release date: | 2004-05-10 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Crystal Structure and Biophysical Characterization of Human GDP-D-mannose 4,6-dehydratase To be Published
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6H3A
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![BU of 6h3a by Molmil](/molmil-images/mine/6h3a) | Crystal structure of the KAP1 RBCC domain in complex with the SMARCAD1 CUE1 domain. | Descriptor: | SWI/SNF-related matrix-associated actin-dependent regulator of chromatin subfamily A containing DEAD/H box 1, Transcription intermediary factor 1-beta, ZINC ION | Authors: | Newman, J.A, Aitkenhead, H, Lim, M, Williams, H.L, Svejstrup, J.Q, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | Deposit date: | 2018-07-17 | Release date: | 2019-06-26 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (5.505 Å) | Cite: | A Ubiquitin-Binding Domain that Binds a Structural Fold Distinct from that of Ubiquitin. Structure, 27, 2019
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6GPL
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![BU of 6gpl by Molmil](/molmil-images/mine/6gpl) | Crystal structure of human GDP-D-mannose 4,6-dehydratase in complex with GDP-4k6d-Man | Descriptor: | 1,2-ETHANEDIOL, BICINE, GDP-mannose 4,6 dehydratase, ... | Authors: | Pfeiffer, M, Krojer, T, Johansson, C, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Nidetzky, B, Oppermann, U, Structural Genomics Consortium (SGC) | Deposit date: | 2018-06-06 | Release date: | 2018-07-18 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | A Parsimonious Mechanism of Sugar Dehydration by Human GDP-Mannose-4,6-dehydratase. Acs Catalysis, 9, 2019
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4K5Z
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![BU of 4k5z by Molmil](/molmil-images/mine/4k5z) | Crystal Structure of Human Chymase in Complex with Fragment Inhibitor 6-chloro-2,3-dihydro-1H-isoindol-1-one | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-chloro-2,3-dihydro-1H-isoindol-1-one, Chymase, ... | Authors: | Collins, B.K, Padyana, A.K. | Deposit date: | 2013-04-15 | Release date: | 2013-05-29 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery of Potent, Selective Chymase Inhibitors via Fragment Linking Strategies. J.Med.Chem., 56, 2013
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3TIP
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![BU of 3tip by Molmil](/molmil-images/mine/3tip) | |
4HBX
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![BU of 4hbx by Molmil](/molmil-images/mine/4hbx) | Crystal Structure of the first bromodomain of human BRD4 in complex with a quinazolin ligand | Descriptor: | 3-methyl-6-(pyrrolidin-1-ylsulfonyl)-3,4-dihydroquinazolin-2(1H)-one, Bromodomain-containing protein 4 | Authors: | Filippakopoulos, P, Picaud, S, Qi, J, Felletar, I, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Fish, P.V, Bunnage, M.E, Cook, A.S, Owen, D.R, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2012-09-28 | Release date: | 2012-10-31 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Identification of a Chemical Probe for Bromo and Extra C-Terminal Bromodomain Inhibition through Optimization of a Fragment-Derived Hit. J.Med.Chem., 55, 2012
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4K69
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![BU of 4k69 by Molmil](/molmil-images/mine/4k69) | Crystal Structure of Human Chymase in Complex with Fragment Linked Benzimidazolone Inhibitor: (3S)-3-{3-[(6-bromo-2-oxo-2,3-dihydro-1H-indol-4-yl)methyl]-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl}hexanoic acid | Descriptor: | (3S)-3-{3-[(6-bromo-2-oxo-2,3-dihydro-1H-indol-4-yl)methyl]-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl}hexanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Chymase, ... | Authors: | Collins, B.K, Padyana, A.K. | Deposit date: | 2013-04-15 | Release date: | 2013-05-29 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Discovery of Potent, Selective Chymase Inhibitors via Fragment Linking Strategies. J.Med.Chem., 56, 2013
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2WW3
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![BU of 2ww3 by Molmil](/molmil-images/mine/2ww3) | Structure of the Family GH92 Inverting Mannosidase BT3990 from Bacteroides thetaiotaomicron VPI-5482 in complex with thiomannobioside | Descriptor: | CALCIUM ION, GLYCEROL, PUTATIVE ALPHA-1,2-MANNOSIDASE, ... | Authors: | Suits, M.D.L, Zhu, Y, Thompson, A.J, Gilbert, H.J, Davies, G.J. | Deposit date: | 2009-10-21 | Release date: | 2010-01-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Mechanistic Insights Into a Ca(2+)-Dependent Family of Alpha-Mannosidases in a Human Gut Symbiont. Nat.Chem.Biol., 6, 2010
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2VN9
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![BU of 2vn9 by Molmil](/molmil-images/mine/2vn9) | Crystal Structure of Human Calcium Calmodulin dependent Protein Kinase II delta isoform 1, CAMKD | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM/CALMODULIN-DEPENDENT PROTEIN KINASE TYPE II DELTA CHAIN, CHLORIDE ION, ... | Authors: | Roos, A.K, Rellos, P, Salah, E, Pike, A.C.W, Fedorov, O, Pilka, E.S, von Delft, F, Arrowsmith, C.H, Weigelt, J, Edwards, A, Bountra, C, Knapp, S. | Deposit date: | 2008-01-31 | Release date: | 2008-02-26 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of the Camkiidelta/Calmodulin Complex Reveals the Molecular Mechanism of Camkii Kinase Activation. Plos Biol., 8, 2010
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2VX3
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![BU of 2vx3 by Molmil](/molmil-images/mine/2vx3) | Crystal structure of the human dual specificity tyrosine- phosphorylation-regulated kinase 1A | Descriptor: | CHLORIDE ION, DUAL SPECIFICITY TYROSINE-PHOSPHORYLATION- REGULATED KINASE 1A, HEXAETHYLENE GLYCOL, ... | Authors: | Roos, A.K, Soundararajan, M, Pike, A.C.W, Federov, O, King, O, Burgess-Brown, N, Philips, C, Filippakopoulos, P, Arrowsmith, C.H, Wikstrom, M, Edwards, A, von Delft, F, Bountra, C, Knapp, S. | Deposit date: | 2008-06-30 | Release date: | 2008-09-16 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structures of Down Syndrome Kinases, Dyrks, Reveal Mechanisms of Kinase Activation and Substrate Recognition. Structure, 21, 2013
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2W98
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![BU of 2w98 by Molmil](/molmil-images/mine/2w98) | CRYSTAL STRUCTURE OF HUMAN ZINC-BINDING ALCOHOL DEHYDROGENASE 1 (ZADH1) IN TERNARY COMPLEX WITH NADP AND PHENYLBUTAZONE | Descriptor: | (2S)-2-hydroxybutanedioic acid, 4-BUTYL-1,2-DIPHENYL-PYRAZOLIDINE-3,5-DIONE, CHLORIDE ION, ... | Authors: | Shafqat, N, Yue, W.W, Muniz, J, Picaud, S, Niesen, F, Arrowsmith, C, Weigelt, J, Edwards, A, Bountra, C, Oppermann, U. | Deposit date: | 2009-01-22 | Release date: | 2009-04-07 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal Structure of Human Zinc-Binding Alcohol Dehydrogenase 1 To be Published
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2W2I
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![BU of 2w2i by Molmil](/molmil-images/mine/2w2i) | Crystal structure of the human 2-oxoglutarate oxygenase LOC390245 | Descriptor: | 2-OXOGLUTARATE OXYGENASE, GLYCEROL, NICKEL (II) ION, ... | Authors: | Yue, W.W, Ng, S, Shafqat, N, Ugochukwu, E, McDonough, M, Pike, A.C.W, Filippakopoulos, P, von Delft, F, Arrowsmith, C, Weigelt, J, Edwards, A, Bountra, C, Schofield, C, Oppermann, U. | Deposit date: | 2008-10-31 | Release date: | 2009-01-20 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural and Evolutionary Basis for the Dual Substrate Selectivity of Human Kdm4 Histone Demethylase Family. J.Biol.Chem., 286, 2011
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2YPR
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![BU of 2ypr by Molmil](/molmil-images/mine/2ypr) | Crystal structure of the DNA binding ETS domain of human protein FEV | Descriptor: | GLYCEROL, PROTEIN FEV | Authors: | Allerston, C.K, Cooper, C, Vollmar, M, Krojer, T, von Delft, F, Weigelt, J, Arrowsmith, C.H, Bountra, C, Edwards, A, Gileadi, O. | Deposit date: | 2012-10-31 | Release date: | 2013-01-16 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.64 Å) | Cite: | Structures of the Ets Domains of Transcription Factors Etv1, Etv4, Etv5 and Fev: Determinants of DNA Binding and Redox Regulation by Disulfide Bond Formation. J.Biol.Chem., 290, 2015
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2V4Z
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![BU of 2v4z by Molmil](/molmil-images/mine/2v4z) | The crystal structure of the human G-protein subunit alpha (GNAI3) in complex with an engineered regulator of G-protein signaling type 2 domain (RGS2) | Descriptor: | GUANINE NUCLEOTIDE-BINDING PROTEIN G(K) SUBUNIT ALPHA, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Roos, A.K, Soundararajan, M, Pike, A.C.W, Arrowsmith, C.H, Weigelt, J, Edwards, A, Bountra, C, Knapp, S. | Deposit date: | 2008-09-30 | Release date: | 2008-11-04 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural Determinants of G-Protein Alpha Subunit Selectivity by Regulator of G-Protein Signaling 2(Rgs2). J.Biol.Chem., 284, 2009
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2WEK
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![BU of 2wek by Molmil](/molmil-images/mine/2wek) | Crystal structure of the human MGC45594 gene product in complex with diclofenac | Descriptor: | 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID, CHLORIDE ION, GLYCEROL, ... | Authors: | Shafqat, N, Yue, W.W, Ugochukwu, E, Niesen, F, Smee, C, Arrowsmith, C, Weigelt, J, Edwards, A, Bountra, C, Oppermann, U. | Deposit date: | 2009-03-31 | Release date: | 2009-12-15 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal Structure of the Human Mgc45594 Gene Product in Complex with Diclofenac To be Published
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2VO1
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![BU of 2vo1 by Molmil](/molmil-images/mine/2vo1) | CRYSTAL STRUCTURE OF THE SYNTHETASE DOMAIN OF HUMAN CTP SYNTHETASE | Descriptor: | CTP SYNTHASE 1, SULFATE ION | Authors: | Stenmark, P, Kursula, P, Arrowsmith, C, Berglund, H, Edwards, A, Ehn, M, Flodin, S, Graslund, S, Hammarstrom, M, Hallberg, B.M, Holmberg-Schiavone, L, Kotenyoa, T, Moche, M, Nilsson-Ehle, P, Ogg, D, Persson, C, Sagemark, J, Schuler, H, Sundstrom, M, Thorsell, A.G, Van Den Berg, S, Weigelt, J, Nordlund, P. | Deposit date: | 2008-02-08 | Release date: | 2008-03-11 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure of the Synthetase Domain of Human Ctp Synthetase, a Target for Anticancer Therapy. Acta Crystallogr.,Sect.F, 62, 2006
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