2Y6S
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![BU of 2y6s by Molmil](/molmil-images/mine/2y6s) | Structure of an Ebolavirus-protective antibody in complex with its mucin-domain linear epitope | Descriptor: | ENVELOPE GLYCOPROTEIN, HEAVY CHAIN, LIGHT CHAIN | Authors: | Olal, D.O, Kuehne, A, Lee, J.E, Bale, S, Dye, J.M, Saphire, E.O. | Deposit date: | 2011-01-25 | Release date: | 2012-01-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure of an Ebola Virus-Protective Antibody in Complex with its Mucin-Domain Linear Epitope. J.Virol., 86, 2012
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5O8B
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![BU of 5o8b by Molmil](/molmil-images/mine/5o8b) | Difference-refined excited-state structure of rsEGFP2 1ps following 400nm-laser irradiation of the off-state. | Descriptor: | Green fluorescent protein | Authors: | Coquelle, N, Sliwa, M, Woodhouse, J, Schiro, G, Adam, V, Aquila, A, Barends, T.R.M, Boutet, S, Byrdin, M, Carbajo, S, De la Mora, E, Doak, R.B, Feliks, M, Fieschi, F, Foucar, L, Guillon, V, Hilpert, M, Hunter, M, Jakobs, S, Koglin, J.E, Kovacsova, G, Lane, T.J, Levy, B, Liang, M, Nass, K, Ridard, J, Robinson, J.S, Roome, C.M, Ruckebusch, C, Seaberg, M, Thepaut, M, Cammarata, M, Demachy, I, Field, M, Shoeman, R.L, Bourgeois, D, Colletier, J.P, Schlichting, I, Weik, M. | Deposit date: | 2017-06-12 | Release date: | 2018-01-24 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Chromophore twisting in the excited state of a photoswitchable fluorescent protein captured by time-resolved serial femtosecond crystallography. Nat Chem, 10, 2018
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2CA7
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![BU of 2ca7 by Molmil](/molmil-images/mine/2ca7) | Conkunitzin-S1 Is The First Member Of A New Kunitz-Type Neurotoxin Family- Structural and Functional Characterization | Descriptor: | CONKUNITZIN-S1 | Authors: | Bayrhuber, M, Vijayan, V, Ferber, M, Graf, R, Korukottu, J, Imperial, J, Garrett, J.E, Olivera, B.M, Terlau, H, Zweckstetter, M, Becker, S. | Deposit date: | 2005-12-19 | Release date: | 2006-01-05 | Last modified: | 2020-01-15 | Method: | SOLUTION NMR | Cite: | Conkunitzin-S1 is the first member of a new Kunitz-type neurotoxin family. Structural and functional characterization. J. Biol. Chem., 280, 2005
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1U7H
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![BU of 1u7h by Molmil](/molmil-images/mine/1u7h) | Structure and a Proposed Mechanism for Ornithine Cyclodeaminase from Pseudomonas putida | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SODIUM ION, ... | Authors: | Alam, S, Goodman, J.L, Wang, S, Ruzicka, F.J, Frey, P.A, Wedekind, J.E. | Deposit date: | 2004-08-03 | Release date: | 2004-11-09 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Ornithine Cyclodeaminase: Structure, Mechanism of Action, and Implications for
the u-Crystallin Family; Biochemistry, 43, 2004
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2YCS
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![BU of 2ycs by Molmil](/molmil-images/mine/2ycs) | Crystal structure of checkpoint kinase 2 in complex with PV788 | Descriptor: | N-{4-[(1E)-N-CARBAMIMIDOYLETHANEHYDRAZONOYL]PHENYL}-1H-INDOLE-3-CARBOXAMIDE, NITRATE ION, SERINE/THREONINE-PROTEIN KINASE CHK2 | Authors: | Lountos, G.T, Jobson, A.G, Tropea, J.E, Self, C.R, Pommier, Y, Shoemaker, R.H, Zhang, G, Waugh, D.S. | Deposit date: | 2011-03-16 | Release date: | 2011-11-16 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structural Characterization of Inhibitor Complexes with Checkpoint Kinase 2 (Chk2), a Drug Target for Cancer Therapy. J.Struct.Biol., 176, 2011
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6Y5S
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![BU of 6y5s by Molmil](/molmil-images/mine/6y5s) | Crystal structure of savinase at cryogenic conditions | Descriptor: | CALCIUM ION, SODIUM ION, Subtilisin Savinase | Authors: | Wu, S, Moroz, O, Turkenburg, J, Nielsen, J.E, Wilson, K.S, Teilum, K. | Deposit date: | 2020-02-25 | Release date: | 2020-06-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (0.95 Å) | Cite: | Conformational heterogeneity of Savinase from NMR, HDX-MS and X-ray diffraction analysis. Peerj, 8, 2020
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2YBU
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![BU of 2ybu by Molmil](/molmil-images/mine/2ybu) | Crystal structure of human acidic chitinase in complex with bisdionin F | Descriptor: | 3,7-DIMETHYL-1-[3-(3-METHYL-2,6-DIOXO-9H-PURIN-1-YL)PROPYL]PURINE-2,6-DIONE, ACIDIC MAMMALIAN CHITINASE, GLYCEROL | Authors: | Sutherland, T.E, Andersen, O.A, Betou, M, Eggleston, I.M, Maizels, R.M, van Aalten, D, Allen, J.E. | Deposit date: | 2011-03-10 | Release date: | 2011-06-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Analyzing airway inflammation with chemical biology: dissection of acidic mammalian chitinase function with a selective drug-like inhibitor. Chem. Biol., 18, 2011
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6Y6T
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![BU of 6y6t by Molmil](/molmil-images/mine/6y6t) | Mouse Galactocerebrosidase complexed with galacto-noeurostegine GNS at pH 4.6 | Descriptor: | (1~{R},2~{S},3~{S},4~{R},5~{R})-4-(hydroxymethyl)-8-azabicyclo[3.2.1]octane-1,2,3-triol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Deane, J.E, McLoughlin, J. | Deposit date: | 2020-02-27 | Release date: | 2021-01-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | The Bicyclic Form of galacto -Noeurostegine Is a Potent Inhibitor of beta-Galactocerebrosidase. Acs Med.Chem.Lett., 12, 2021
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5NSD
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![BU of 5nsd by Molmil](/molmil-images/mine/5nsd) | Co-crystal structure of NAMPT dimer with KPT-9274 | Descriptor: | (~{E})-3-(6-azanylpyridin-3-yl)-~{N}-[[5-[4-[4,4-bis(fluoranyl)piperidin-1-yl]carbonylphenyl]-7-(4-fluorophenyl)-1-benzofuran-2-yl]methyl]prop-2-enamide, GLYCEROL, Nicotinamide phosphoribosyltransferase, ... | Authors: | Neggers, J.E, Kwanten, B, Dierckx, T, Noguchi, H, Voet, A, Vercruysse, T, Baloglu, E, Senapedis, W, Jacquemyn, M, Daelemans, D. | Deposit date: | 2017-04-26 | Release date: | 2018-02-14 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.046 Å) | Cite: | Target identification of small molecules using large-scale CRISPR-Cas mutagenesis scanning of essential genes. Nat Commun, 9, 2018
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2CFY
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![BU of 2cfy by Molmil](/molmil-images/mine/2cfy) | Crystal structure of human thioredoxin reductase 1 | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, THIOREDOXIN REDUCTASE 1 | Authors: | Debreczeni, J.E, Johansson, C, Kavanagh, K, Savitsky, P, Sundstrom, M, Arrowsmith, C, Weigelt, J, Edwards, A, von Delft, F, Oppermann, U. | Deposit date: | 2006-02-26 | Release date: | 2006-03-09 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal Structure of Human Thioredoxin Reductase 1 To be Published
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2CDZ
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![BU of 2cdz by Molmil](/molmil-images/mine/2cdz) | CRYSTAL STRUCTURE OF THE HUMAN P21-ACTIVATED KINASE 4 IN COMPLEX WITH CGP74514A | Descriptor: | CHLORIDE ION, N2-[(1R,2S)-2-AMINOCYCLOHEXYL]-N6-(3-CHLOROPHENYL)-9-ETHYL-9H-PURINE-2,6-DIAMINE, SERINE/THREONINE-PROTEIN KINASE PAK 4, ... | Authors: | Debreczeni, J.E, Ugochukwu, E, Eswaran, J, Filippakopoulos, P, Das, S, Fedorov, O, Sundstrom, M, Arrowsmith, C, Weigelt, J, Edwards, A, von Delft, F, Knapp, S. | Deposit date: | 2006-01-31 | Release date: | 2006-02-08 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal Structures of the P21-Activated Kinases Pak4, Pak5, and Pak6 Reveal Catalytic Domain Plasticity of Active Group II Paks. Structure, 15, 2007
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6Z84
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![BU of 6z84 by Molmil](/molmil-images/mine/6z84) | CK2 alpha bound to chemical probe SGC-CK2-1 derivative | Descriptor: | Casein kinase II subunit alpha, SULFATE ION, ~{N}-[1-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]indol-6-yl]ethanamide | Authors: | Kraemer, A, Wells, C, Drewry, D.H, Pickett, J.E, Axtman, A.D, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-06-02 | Release date: | 2020-07-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Development of a potent and selective chemical probe for the pleiotropic kinase CK2. Cell Chem Biol, 28, 2021
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1CWP
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![BU of 1cwp by Molmil](/molmil-images/mine/1cwp) | STRUCTURES OF THE NATIVE AND SWOLLEN FORMS OF COWPEA CHLOROTIC MOTTLE VIRUS DETERMINED BY X-RAY CRYSTALLOGRAPHY AND CRYO-ELECTRON MICROSCOPY | Descriptor: | Coat protein, RNA (5'-R(*AP*U)-3'), RNA (5'-R(*AP*UP*AP*U)-3') | Authors: | Speir, J.A, Johnson, J.E, Munshi, S, Wang, G, Timothy, S, Baker, T.S. | Deposit date: | 1995-05-22 | Release date: | 1995-05-22 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structures of the native and swollen forms of cowpea chlorotic mottle virus determined by X-ray crystallography and cryo-electron microscopy. Structure, 3, 1995
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2AF6
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![BU of 2af6 by Molmil](/molmil-images/mine/2af6) | Crystal structure of Mycobacterium tuberculosis Flavin dependent thymidylate synthase (Mtb ThyX) in the presence of co-factor FAD and substrate analog 5-Bromo-2'-Deoxyuridine-5'-Monophosphate (BrdUMP) | Descriptor: | 5-BROMO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | Authors: | Sampathkumar, P, Turley, S, Ulmer, J.E, Rhie, H.G, Sibley, C.H, Hol, W.G. | Deposit date: | 2005-07-25 | Release date: | 2005-10-04 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Structure of the Mycobacterium tuberculosis Flavin Dependent Thymidylate Synthase (MtbThyX) at 2.0A Resolution. J.Mol.Biol., 352, 2005
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6ZBB
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![BU of 6zbb by Molmil](/molmil-images/mine/6zbb) | bovine ATP synthase Fo domain | Descriptor: | 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ATP synthase F(0) complex subunit B1, mitochondrial, ... | Authors: | Spikes, T, Montgomery, M.G, Walker, J.E. | Deposit date: | 2020-06-08 | Release date: | 2020-09-09 | Last modified: | 2020-09-30 | Method: | ELECTRON MICROSCOPY (3.61 Å) | Cite: | Structure of the dimeric ATP synthase from bovine mitochondria. Proc.Natl.Acad.Sci.USA, 117, 2020
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6ZIK
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![BU of 6zik by Molmil](/molmil-images/mine/6zik) | bovine ATP synthase rotor domain, state 3 | Descriptor: | ATP synthase F(0) complex subunit C2, mitochondrial, ATP synthase subunit delta, ... | Authors: | Spikes, T, Montgomery, M.G, Walker, J.E. | Deposit date: | 2020-06-26 | Release date: | 2020-09-09 | Last modified: | 2020-09-30 | Method: | ELECTRON MICROSCOPY (3.66 Å) | Cite: | Structure of the dimeric ATP synthase from bovine mitochondria. Proc.Natl.Acad.Sci.USA, 117, 2020
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6Z1R
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![BU of 6z1r by Molmil](/molmil-images/mine/6z1r) | bovine ATP synthase F1-peripheral stalk domain, state 2 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase F(0) complex subunit B1, ... | Authors: | Spikes, T, Montgomery, M.G, Walker, J.E. | Deposit date: | 2020-05-14 | Release date: | 2020-09-09 | Last modified: | 2020-09-30 | Method: | ELECTRON MICROSCOPY (3.29 Å) | Cite: | Structure of the dimeric ATP synthase from bovine mitochondria. Proc.Natl.Acad.Sci.USA, 117, 2020
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1ZZZ
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![BU of 1zzz by Molmil](/molmil-images/mine/1zzz) | Trypsin inhibitors with rigid tripeptidyl aldehydes | Descriptor: | 2-{(3S)-3-[(benzylsulfonyl)amino]-2-oxopiperidin-1-yl}-N-{(2S)-1-[(3R)-1-carbamimidoylpiperidin-3-yl]-3-oxopropan-2-yl}acetamide, CALCIUM ION, TRYPSIN | Authors: | Krishnan, R, Zhang, E, Hakansson, K, Arni, R.K, Tulinsky, A, Lim-Wilby, M.S.L, Levy, O.E, Semple, J.E, Brunck, T.K. | Deposit date: | 1998-06-02 | Release date: | 1999-06-15 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Highly selective mechanism-based thrombin inhibitors: structures of thrombin and trypsin inhibited with rigid peptidyl aldehydes. Biochemistry, 37, 1998
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4J4J
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![BU of 4j4j by Molmil](/molmil-images/mine/4j4j) | |
3S92
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![BU of 3s92 by Molmil](/molmil-images/mine/3s92) | Crystal Structure of the second bromodomain of human BRD3 in complex with the inhibitor JQ1 | Descriptor: | (6S)-6-(2-tert-butoxy-2-oxoethyl)-4-(4-chlorophenyl)-2,3,9-trimethyl-6,7-dihydrothieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-10-ium, 1,2-ETHANEDIOL, Bromodomain-containing protein 3 | Authors: | Filippakopoulos, P, Picaud, S, Qi, J, Keates, T, Felletar, I, Fedorov, O, Muniz, J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Bradner, J.E, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2011-05-31 | Release date: | 2011-06-29 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | Crystal Structure of the second bromodomain of human BRD3 in complex with the inhibitor JQ1 To be Published
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7U6O
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![BU of 7u6o by Molmil](/molmil-images/mine/7u6o) | |
2AUR
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![BU of 2aur by Molmil](/molmil-images/mine/2aur) | F97V (no ligand bound) | Descriptor: | Globin I, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Knapp, J.E, Bonham, M.A, Gibson, Q.H, Nichols, J.C, Royer Jr, W.E. | Deposit date: | 2005-08-28 | Release date: | 2006-03-28 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Residue F4 plays a key role in modulating oxygen affinity and cooperativity in Scapharca dimeric hemoglobin Biochemistry, 44, 2005
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2AV3
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![BU of 2av3 by Molmil](/molmil-images/mine/2av3) | F97L- no ligand | Descriptor: | Globin I, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Knapp, J.E, Bonham, M.A, Gibson, Q.H, Nichols, J.C, Royer Jr, W.E. | Deposit date: | 2005-08-29 | Release date: | 2006-03-28 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Residue F4 plays a key role in modulating oxygen affinity and cooperativity in Scapharca dimeric hemoglobin Biochemistry, 44, 2005
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4IXR
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![BU of 4ixr by Molmil](/molmil-images/mine/4ixr) | RT fs X-ray diffraction of Photosystem II, first illuminated state | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | Authors: | Kern, J, Alonso-Mori, R, Tran, R, Hattne, J, Gildea, R.J, Echols, N, Gloeckner, C, Hellmich, J, Laksmono, H, Sierra, R.G, Lassalle-Kaiser, B, Koroidov, S, Lampe, A, Han, G, Gul, S, DiFiore, D, Milathianaki, D, Fry, A.R, Miahnahri, A, Schafer, D.W, Messerschmidt, M, Seibert, M.M, Koglin, J.E, Sokaras, D, Weng, T.-C, Sellberg, J, Latimer, M.J, Grosse-Kunstleve, R.W, Zwart, P.H, White, W.E, Glatzel, P, Adams, P.D, Bogan, M.J, Williams, G.J, Boutet, S, Messinger, J, Zouni, A, Sauter, N.K, Yachandra, V.K, Bergmann, U, Yano, J. | Deposit date: | 2013-01-27 | Release date: | 2013-02-20 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (5.9 Å) | Cite: | Simultaneous femtosecond X-ray spectroscopy and diffraction of photosystem II at room temperature. Science, 340, 2013
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3ONI
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![BU of 3oni by Molmil](/molmil-images/mine/3oni) | Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor JQ1 | Descriptor: | (6S)-6-(2-tert-butoxy-2-oxoethyl)-4-(4-chlorophenyl)-2,3,9-trimethyl-6,7-dihydrothieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-10-ium, 1,2-ETHANEDIOL, Bromodomain containing 2, ... | Authors: | Filippakopoulos, P, Picaud, S, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Bradner, J.E, Structural Genomics Consortium (SGC) | Deposit date: | 2010-08-29 | Release date: | 2010-10-06 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Selective inhibition of BET bromodomains. Nature, 468, 2010
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