4IUE
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![BU of 4iue by Molmil](/molmil-images/mine/4iue) | Tankyrase in complex with 7-(2-fluorophenyl)-4-methyl-1,2-dihydroquinolin-2-one | Descriptor: | 7-(2-fluorophenyl)-4-methylquinolin-2(1H)-one, SULFATE ION, Tankyrase-2, ... | Authors: | Jansson, A.E, Larsson, E.A, Nordlund, P.L. | Deposit date: | 2013-01-21 | Release date: | 2013-06-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Fragment-based ligand design of novel potent inhibitors of tankyrases. J.Med.Chem., 56, 2013
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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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4ISH
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![BU of 4ish by Molmil](/molmil-images/mine/4ish) | Structure of FACTOR VIIA in complex with the inhibitor BMS-593214 also known as 2'-[(6R,6AR,11BR)-2-CARBAMIMIDOYL-6,6A,7,11B-TETRAHYDRO-5H-INDENO[2,1-C]QUINOLIN-6-YL]-5'-HYDROXY-4'-METHOXYBIPHENYL-4-CARBOXYLIC ACID | Descriptor: | 2'-[(6R,6aR,11bR)-2-carbamimidoyl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinolin-6-yl]-5'-hydroxy-4'-methoxybiphenyl-4-carboxylic acid, CALCIUM ION, Factor VII heavy chain, ... | Authors: | Wei, A. | Deposit date: | 2013-01-16 | Release date: | 2013-03-20 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Discovery and gram-scale synthesis of BMS-593214, a potent, selective FVIIa inhibitor. Bioorg.Med.Chem.Lett., 23, 2013
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4J3M
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![BU of 4j3m by Molmil](/molmil-images/mine/4j3m) | Tankyrase 2 in complex with 3-chloro-4-(4-methyl-2-oxo-1,2-dihydroquinolin-7-yl)benzoic acid | Descriptor: | 3-chloro-4-(4-methyl-2-oxo-1,2-dihydroquinolin-7-yl)benzoic acid, GLYCEROL, SULFATE ION, ... | Authors: | Jansson, A.E, Larsson, E.A, Nordlund, P.L. | Deposit date: | 2013-02-06 | Release date: | 2013-06-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Fragment-based ligand design of novel potent inhibitors of tankyrases. J.Med.Chem., 56, 2013
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4J29
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![BU of 4j29 by Molmil](/molmil-images/mine/4j29) | Crystal Structure of Engineered Protein. Northeast Structural Genomics Consortium Target OR258. | Descriptor: | Engineered Protein OR258 | Authors: | Vorobiev, S, Su, M, Koga, R, Seetharaman, J, Koga, N, Mao, L, Xiao, R, Kohan, E, Castelllanos, J, Everett, J.K, Acton, T.B, Baker, D, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2013-02-04 | Release date: | 2013-03-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal Structure of Engineered Protein OR258. To be Published
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4IWP
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![BU of 4iwp by Molmil](/molmil-images/mine/4iwp) | Crystal structure and mechanism of activation of TBK1 | Descriptor: | N-(3-{[5-iodo-4-({3-[(thiophen-2-ylcarbonyl)amino]propyl}amino)pyrimidin-2-yl]amino}phenyl)pyrrolidine-1-carboxamide, Serine/threonine-protein kinase TBK1 | Authors: | Panne, D, Larabi, A. | Deposit date: | 2013-01-24 | Release date: | 2013-03-13 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.065 Å) | Cite: | Crystal structure and mechanism of activation of TANK-binding kinase 1. Cell Rep, 3, 2013
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4J4P
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![BU of 4j4p by Molmil](/molmil-images/mine/4j4p) | The complex of human IgE-Fc with two bound Fab fragments | Descriptor: | Ig epsilon chain C region, Immunoglobulin G Fab Fragment Heavy Chain, Immunoglobulin G Fab Fragment Light Chain, ... | Authors: | Drinkwater, N, Sutton, B.J. | Deposit date: | 2013-02-07 | Release date: | 2014-03-12 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.91 Å) | Cite: | Human immunoglobulin E flexes between acutely bent and extended conformations. Nat.Struct.Mol.Biol., 21, 2014
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1QIF
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![BU of 1qif by Molmil](/molmil-images/mine/1qif) | |
4ISI
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![BU of 4isi by Molmil](/molmil-images/mine/4isi) | Structure of FACTOR VIIA in complex with the inhibitor (6S)-N-(4-CARBAMIMIDOYLBENZYL)-1-CHLORO-3-(CYCLOBUTYLAMINO)-8,8-DIETHYL-4-OXO-4,6,7,8-TETRAHYDROPYRROLO[1,2-A]PYRAZINE-6-CARBOXAMIDE | Descriptor: | (6S)-N-(4-carbamimidoylbenzyl)-1-chloro-3-(cyclobutylamino)-8,8-diethyl-4-oxo-4,6,7,8-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxamide, CALCIUM ION, Factor VII heavy chain, ... | Authors: | Wei, A. | Deposit date: | 2013-01-16 | Release date: | 2013-02-27 | Last modified: | 2013-03-06 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Design and synthesis of bicyclic pyrazinone and pyrimidinone amides as potent TF-FVIIa inhibitors. Bioorg.Med.Chem.Lett., 23, 2013
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4JLO
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![BU of 4jlo by Molmil](/molmil-images/mine/4jlo) | |
4JM5
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![BU of 4jm5 by Molmil](/molmil-images/mine/4jm5) | Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with 2-Amino-5-methylthiazole | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-AMINO-5-METHYLTHIAZOLE, Cytochrome c peroxidase, ... | Authors: | Boyce, S.E, Fischer, M, Fish, I, Shoichet, B.K. | Deposit date: | 2013-03-13 | Release date: | 2013-05-01 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.26 Å) | Cite: | Blind prediction of charged ligand binding affinities in a model binding site. J.Mol.Biol., 425, 2013
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4JNV
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![BU of 4jnv by Molmil](/molmil-images/mine/4jnv) | Crystal structure of the human Nup57CCS3* coiled-coil segment, space group C2 | Descriptor: | Nucleoporin p54 | Authors: | Stuwe, T, Bley, C.J, Mayo, D.J, Hoelz, A. | Deposit date: | 2013-03-15 | Release date: | 2014-09-17 | Last modified: | 2016-02-03 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Architecture of the fungal nuclear pore inner ring complex. Science, 350, 2015
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4J9Q
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![BU of 4j9q by Molmil](/molmil-images/mine/4j9q) | Human DNA polymerase eta-DNA postinsertion binary complex with TG mispair | Descriptor: | DNA (5'-D(*TP*AP*GP*CP*GP*TP*CP*AP*TP*G)-3'), DNA (5'-D(*TP*C*AP*TP*TP*AP*TP*GP*AP*CP*GP*CP*T)-3'), DNA polymerase eta, ... | Authors: | Zhao, Y, Gregory, M, Biertumpfel, C, Hua, Y, Hanaoka, F, Yang, W. | Deposit date: | 2013-02-16 | Release date: | 2013-05-01 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Mechanism of somatic hypermutation at the WA motif by human DNA polymerase eta. Proc.Natl.Acad.Sci.USA, 110, 2013
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1QIG
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![BU of 1qig by Molmil](/molmil-images/mine/1qig) | |
5POH
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![BU of 5poh by Molmil](/molmil-images/mine/5poh) | PanDDA analysis group deposition -- Crystal Structure of BRD1 in complex with N11029a | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 1, N-[2-(phenylamino)ethyl]acetamide, ... | Authors: | Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. | Deposit date: | 2017-02-07 | Release date: | 2017-03-15 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density. Nat Commun, 8, 2017
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4J6Q
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4JJZ
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![BU of 4jjz by Molmil](/molmil-images/mine/4jjz) | Crystal Structure of N10-Formyltetrahydrofolate Synthetase with ADP and Formylphosphate | Descriptor: | 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL, ADENOSINE-5'-DIPHOSPHATE, Formate--tetrahydrofolate ligase, ... | Authors: | Celeste, L.R, Lovelace, L.L, Lebioda, L. | Deposit date: | 2013-03-08 | Release date: | 2013-03-20 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Mechanism of N10-formyltetrahydrofolate synthetase derived from complexes with intermediates and inhibitors. Protein Sci., 21, 2012
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4JL6
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4JQ5
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![BU of 4jq5 by Molmil](/molmil-images/mine/4jq5) | |
4JWT
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4JLQ
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![BU of 4jlq by Molmil](/molmil-images/mine/4jlq) | Crystal structure of human Karyopherin-beta2 bound to the PY-NLS of Saccharomyces cerevisiae NAB2 | Descriptor: | Nuclear polyadenylated RNA-binding protein NAB2, Transportin-1 | Authors: | Sampathkumar, P, Gizzi, A, Rout, M.P, Chook, Y.M, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC), Nucleocytoplasmic Transport: a Target for Cellular Control (NPCXstals) | Deposit date: | 2013-03-12 | Release date: | 2013-04-03 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Crystal structure of human Karyopherin beta 2 bound to the PY-NLS of Saccharomyces cerevisiae Nab2. J.Struct.Funct.Genom., 14, 2013
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4JMA
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![BU of 4jma by Molmil](/molmil-images/mine/4jma) | Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with 3-Fluorocatechol | Descriptor: | 3-FLUOROBENZENE-1,2-DIOL, Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Boyce, S.E, Fischer, M, Fish, I. | Deposit date: | 2013-03-13 | Release date: | 2013-05-01 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Blind prediction of charged ligand binding affinities in a model binding site. J.Mol.Biol., 425, 2013
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4J9L
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![BU of 4j9l by Molmil](/molmil-images/mine/4j9l) | Human DNA polymerase eta-DNA ternary complex: misincorporation G opposite T after a C at the primer 3' end (CA/G) | Descriptor: | 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]guanosine, DNA, DNA polymerase eta, ... | Authors: | Zhao, Y, Gregory, M, Biertumpfel, C, Hua, Y, Hanaoka, F, Yang, W. | Deposit date: | 2013-02-16 | Release date: | 2013-05-01 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Mechanism of somatic hypermutation at the WA motif by human DNA polymerase eta. Proc.Natl.Acad.Sci.USA, 110, 2013
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4JV2
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![BU of 4jv2 by Molmil](/molmil-images/mine/4jv2) | Ternary complex of gamma-OHPDG adduct modified dna with dna (-1 primer) polymerase iv and incoming datp | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP*TP*TP*C)-3'), ... | Authors: | Banerjee, S, Shanmugam, G, Stone, M.P. | Deposit date: | 2013-03-25 | Release date: | 2013-08-28 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.74 Å) | Cite: | Ring-Opening of the gamma-OH-PdG Adduct Promotes Error-Free Bypass by the Sulfolobus solfataricus DNA Polymerase Dpo4. Chem.Res.Toxicol., 26, 2013
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4JMF
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![BU of 4jmf by Molmil](/molmil-images/mine/4jmf) | |