4IV2
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![BU of 4iv2 by Molmil](/molmil-images/mine/4iv2) | Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with Dynamic WAY-derivative, 5a | Descriptor: | 4-[1-(2-methylpropyl)-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol, Estrogen receptor, Nuclear receptor coactivator 2 | Authors: | Nwachukwu, J.C, Srinivasan, S, Parent, A.A, Cavett, V, Nowak, J, Hughes, T.S, Kojetin, D.J, Katzenellenbogen, J.A, Nettles, K.W. | Deposit date: | 2013-01-22 | Release date: | 2013-03-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Ligand binding dynamics rewire cellular signaling via Estrogen Receptor-alpha Nat.Chem.Biol., 9, 2013
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4IW8
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![BU of 4iw8 by Molmil](/molmil-images/mine/4iw8) | Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with Dynamic WAY-derivative, 9a | Descriptor: | 4-[1-(3-methylbut-2-en-1-yl)-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol, Estrogen receptor, Nuclear receptor coactivator 2 | Authors: | Nwachukwu, J.C, Srinivasan, S, Parent, A.A, Cavett, V, Nowak, J, Hughes, T.S, Kojetin, D.J, Katzenellenbogen, J.A, Nettles, K.W. | Deposit date: | 2013-01-23 | Release date: | 2013-03-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.0375 Å) | Cite: | Ligand binding dynamics rewire cellular signaling via Estrogen Receptor-alpha Nat.Chem.Biol., 9, 2013
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4IUP
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![BU of 4iup by Molmil](/molmil-images/mine/4iup) | |
4J36
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![BU of 4j36 by Molmil](/molmil-images/mine/4j36) | Cocrystal Structure of kynurenine 3-monooxygenase in complex with UPF 648 inhibitor(KMO-394UPF) | Descriptor: | (1S,2S)-2-(3,4-dichlorobenzoyl)cyclopropanecarboxylic acid, FLAVIN-ADENINE DINUCLEOTIDE, Kynurenine 3-monooxygenase | Authors: | Amaral, M, Levy, C, Heyes, D.J, Lafite, P, Outeiro, T.F, Giorgini, F, Leys, D, Scrutton, N.S. | Deposit date: | 2013-02-05 | Release date: | 2013-04-10 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Structural basis of kynurenine 3-monooxygenase inhibition. Nature, 496, 2013
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4J34
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![BU of 4j34 by Molmil](/molmil-images/mine/4j34) | Crystal Structure of kynurenine 3-monooxygenase - truncated at position 394 plus HIS tag cleaved. | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Kynurenine 3-monooxygenase | Authors: | Amaral, M, Levy, C, Heyes, D.J, Lafite, P, Outeiro, T.F, Giorgini, F, Leys, D, Scrutton, N.S. | Deposit date: | 2013-02-05 | Release date: | 2013-04-10 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Structural basis of kynurenine 3-monooxygenase inhibition. Nature, 496, 2013
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4IUI
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![BU of 4iui by Molmil](/molmil-images/mine/4iui) | Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with Dynamic WAY derivative, 4a | Descriptor: | 4-[1-butyl-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol, Estrogen receptor, Nuclear receptor coactivator 2 | Authors: | Nwachukwu, J.C, Srinivasan, S, Parent, A.A, Cavett, V, Nowak, J, Hughes, T.S, Kojetin, D.J, Katzenellenbogen, J.A, Nettles, K.W. | Deposit date: | 2013-01-21 | Release date: | 2013-03-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Ligand binding dynamics rewire cellular signaling via Estrogen Receptor-alpha Nat.Chem.Biol., 9, 2013
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4IWV
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![BU of 4iwv by Molmil](/molmil-images/mine/4iwv) | Crystals structure of Human Glucokinase in complex with small molecule activator | Descriptor: | (2S)-2-{[1-(2-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]oxy}-N-(5-chloropyridin-2-yl)-3-(2-hydroxyethoxy)propanamide, Glucokinase isoform 3, SODIUM ION, ... | Authors: | Ogg, D.J, Hargreaves, D, Gerhardt, S, Flavell, L, McAlister, M. | Deposit date: | 2013-01-24 | Release date: | 2013-04-24 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Optimising pharmacokinetics of glucokinase activators with matched triplicate design sets the discovery of AZD3651 and AZD9485 To be Published
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4IUV
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4J33
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![BU of 4j33 by Molmil](/molmil-images/mine/4j33) | Crystal Structure of kynurenine 3-monooxygenase (KMO-394) | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Kynurenine 3-monooxygenase | Authors: | Amaral, M, Levy, C, Heyes, D.J, Lafite, P, Outeiro, T.F, Giorgini, F, Leys, D, Scrutton, N.S. | Deposit date: | 2013-02-05 | Release date: | 2013-04-10 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Structural basis of kynurenine 3-monooxygenase inhibition. Nature, 496, 2013
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4IUT
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4IX7
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![BU of 4ix7 by Molmil](/molmil-images/mine/4ix7) | |
4IUQ
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![BU of 4iuq by Molmil](/molmil-images/mine/4iuq) | crystal structure of SHH1 SAWADEE domain | Descriptor: | CYMAL-4, SAWADEE HOMEODOMAIN HOMOLOG 1, ZINC ION | Authors: | Du, J, Patel, D.J. | Deposit date: | 2013-01-21 | Release date: | 2013-05-01 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.809 Å) | Cite: | Polymerase IV occupancy at RNA-directed DNA methylation sites requires SHH1. Nature, 498, 2013
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4IVY
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![BU of 4ivy by Molmil](/molmil-images/mine/4ivy) | Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with Dynamic WAY-derivative, 7a | Descriptor: | 4-[1-(but-3-en-1-yl)-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol, Estrogen receptor, Nuclear receptor coactivator 2 | Authors: | Nwachukwu, J.C, Srinivasan, S, Parent, A.A, Cavett, V, Nowak, J, Hughes, T.S, Kojetin, D.J, Katzenellenbogen, J.A, Nettles, K.W. | Deposit date: | 2013-01-23 | Release date: | 2013-03-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Ligand binding dynamics rewire cellular signaling via Estrogen Receptor-alpha Nat.Chem.Biol., 9, 2013
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8I6N
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![BU of 8i6n by Molmil](/molmil-images/mine/8i6n) | Crystal structure of Co-type nitrile hydratase mutant from Pseudomonas thermophila - L6T | Descriptor: | COBALT (II) ION, Cobalt-containing nitrile hydratase subunit alpha, Cobalt-containing nitrile hydratase subunit beta | Authors: | Ma, D, Cheng, Z.Y, Lai, Q.P, Hou, X.D, Yin, D.J, Rao, Y.J, Zhou, Z.M. | Deposit date: | 2023-01-29 | Release date: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of Co-type nitrile hydratase mutant L6T from Pseudomonas thermophila at 2.2 Angstroms resolution. To Be Published
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4JJO
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4JVY
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![BU of 4jvy by Molmil](/molmil-images/mine/4jvy) | Structure of the STAR (signal transduction and activation of RNA) domain of GLD-1 bound to RNA | Descriptor: | Female germline-specific tumor suppressor gld-1, RNA (5'-R(P*CP*UP*AP*AP*CP*AP*A)-3') | Authors: | Teplova, M, Hafner, M, Teplov, D, Essig, K, Tuschl, T, Patel, D.J. | Deposit date: | 2013-03-26 | Release date: | 2013-05-08 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (2.853 Å) | Cite: | Structure-function studies of STAR family Quaking proteins bound to their in vivo RNA target sites. Genes Dev., 27, 2013
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4JO9
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![BU of 4jo9 by Molmil](/molmil-images/mine/4jo9) | Crystal structure of the human Nup49CCS2+3* Nup57CCS3* complex 1:2 stoichiometry | Descriptor: | Nucleoporin p54, Nucleoporin p58/p45 | Authors: | Stuwe, T, Bley, C.J, Mayo, D.J, Hoelz, A. | Deposit date: | 2013-03-18 | Release date: | 2014-09-17 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.499 Å) | Cite: | Architecture of the fungal nuclear pore inner ring complex. Science, 350, 2015
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4JNM
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![BU of 4jnm by Molmil](/molmil-images/mine/4jnm) | Discovery of Potent and Efficacious Urea-containing Nicotinamide Phosphoribosyltransferase (NAMPT) Inhibitors with Reduced CYP2C9 Inhibition Properties | Descriptor: | 1,2-ETHANEDIOL, 1-[(6-aminopyridin-3-yl)methyl]-3-[4-(phenylsulfonyl)phenyl]urea, Nicotinamide phosphoribosyltransferase, ... | Authors: | Gunzner-Toste, J, Zhao, G, Bauer, P, Baumeister, T, Buckmelter, A.J, Caligiuri, M, Clodfelter, K.H, Fu, B, Han, B, Ho, Y, Kley, N, Liederer, B, Lin, J, Mukadam, S, O'Brien, T, Reynolds, D.J, Sharma, G, Skelton, N, Smith, C.C, Oh, A, Wang, W, Wang, Z, Xiao, Y, Yuen, P, Zak, M, Zhang, L, Zheng, X, Bair, K.W, Dragovich, P.S. | Deposit date: | 2013-03-15 | Release date: | 2013-05-29 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery of potent and efficacious urea-containing nicotinamide phosphoribosyltransferase (NAMPT) inhibitors with reduced CYP2C9 inhibition properties. Bioorg.Med.Chem.Lett., 23, 2013
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4JS0
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![BU of 4js0 by Molmil](/molmil-images/mine/4js0) | Complex of Cdc42 with the CRIB-PR domain of IRSp53 | Descriptor: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Brain-specific angiogenesis inhibitor 1-associated protein 2, Cell division control protein 42 homolog, ... | Authors: | Kast, D.J, Dominguez, R. | Deposit date: | 2013-03-22 | Release date: | 2014-03-05 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Mechanism of IRSp53 inhibition and combinatorial activation by Cdc42 and downstream effectors. Nat.Struct.Mol.Biol., 21, 2014
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4KSC
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![BU of 4ksc by Molmil](/molmil-images/mine/4ksc) | Structures of P-glycoprotein reveal its conformational flexibility and an epitope on the nucleotide-binding domain | Descriptor: | Multidrug resistance protein 1A | Authors: | Ward, A, Szewczyk, P, Grimard, V, Lee, C.-W, Martinez, L, Doshi, R, Caya, A, Villaluz, M, Pardon, E, Cregger, C, Swartz, D.J, Falson, P, Urbatsch, I, Govaerts, C, Steyaert, J, Chang, G. | Deposit date: | 2013-05-17 | Release date: | 2013-07-31 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (4 Å) | Cite: | Structures of P-glycoprotein reveal its conformational flexibility and an epitope on the nucleotide-binding domain. Proc.Natl.Acad.Sci.USA, 110, 2013
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4KQP
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![BU of 4kqp by Molmil](/molmil-images/mine/4kqp) | Crystal structure of Lactococcus lactis GlnP substrate binding domain 2 (SBD2) in complex with glutamine at 0.95 A resolution | Descriptor: | GLUTAMINE, Glutamine ABC transporter permease and substrate binding protein protein | Authors: | Vujicic Zagar, A, Guskov, A, Schuurman-Wolters, G.K, Slotboom, D.J, Poolman, B. | Deposit date: | 2013-05-15 | Release date: | 2013-09-11 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (0.95 Å) | Cite: | Functional Diversity of Tandem Substrate-Binding Domains in ABC Transporters from Pathogenic Bacteria. Structure, 21, 2013
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4KSB
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![BU of 4ksb by Molmil](/molmil-images/mine/4ksb) | Structures of P-glycoprotein reveal its conformational flexibility and an epitope on the nucleotide-binding domain | Descriptor: | Multidrug resistance protein 1A | Authors: | Ward, A, Szewczyk, P, Grimard, V, Lee, C.-W, Martinez, L, Doshi, R, Caya, A, Villaluz, M, Pardon, E, Cregger, C, Swartz, D.J, Falson, P, Urbatsch, I, Govaerts, C, Steyaert, J, Chang, G. | Deposit date: | 2013-05-17 | Release date: | 2013-07-31 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.8001 Å) | Cite: | Structures of P-glycoprotein reveal its conformational flexibility and an epitope on the nucleotide-binding domain. Proc.Natl.Acad.Sci.USA, 110, 2013
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4KNS
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![BU of 4kns by Molmil](/molmil-images/mine/4kns) | Reduced crystal structure of the Nitrosomonas europaea copper nitrite reductase at pH 6.5 | Descriptor: | CHLORIDE ION, COPPER (II) ION, GLYCEROL, ... | Authors: | Rosenzweig, A.C, Lawton, T.L, Sayavedra-Soto, L.A, Arp, D.J. | Deposit date: | 2013-05-10 | Release date: | 2013-07-24 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Characterization of a nitrite reductase involved in nitrifier denitrification. J.Biol.Chem., 288, 2013
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4K9B
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![BU of 4k9b by Molmil](/molmil-images/mine/4k9b) | Structure of Ternary Complex of cGAS with dsDNA and Bound c[G(2 ,5 )pA(3 ,5 )p] | Descriptor: | ADENOSINE MONOPHOSPHATE, Cyclic GMP-AMP synthase, DNA-F, ... | Authors: | Gao, P, Wu, Y, Patel, D.J. | Deposit date: | 2013-04-19 | Release date: | 2013-05-15 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Cyclic [G(2',5')pA(3',5')p] is the metazoan second messenger produced by DNA-activated cyclic GMP-AMP synthase. Cell(Cambridge,Mass.), 153, 2013
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4KPT
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![BU of 4kpt by Molmil](/molmil-images/mine/4kpt) | Crystal structure of substrate binding domain 1 (SBD1) OF ABC transporter GLNPQ from lactococcus lactis | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, DI(HYDROXYETHYL)ETHER, ... | Authors: | Vujicic Zagar, A, Guskov, A, Schuurman-Wolters, G.K, Slotboom, D.J, Poolman, B. | Deposit date: | 2013-05-14 | Release date: | 2013-09-11 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Functional Diversity of Tandem Substrate-Binding Domains in ABC Transporters from Pathogenic Bacteria. Structure, 21, 2013
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