4Y76
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![BU of 4y76 by Molmil](/molmil-images/mine/4y76) | Factor Xa complex with GTC000401 | Descriptor: | CALCIUM ION, Coagulation factor X, N~2~-[(6-chloronaphthalen-2-yl)sulfonyl]-N~2~-{(3S)-1-[(2S)-1-(4-methyl-1,4-diazepan-1-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl}glycinamide | Authors: | Convery, M.A, Young, R.J, Senger, S, Hamblin, J.N, Chan, C, Toomey, J.R, Watson, N.S. | Deposit date: | 2015-02-13 | Release date: | 2015-09-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Factor Xa inhibitors: S1 binding interactions of a series of N-{(3S)-1-[(1S)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}sulfonamides. J. Med. Chem., 50, 2007
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4Y79
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![BU of 4y79 by Molmil](/molmil-images/mine/4y79) | Factor Xa complex with GTC000406 | Descriptor: | (E)-2-(4-chlorophenyl)-N-{(3S)-1-[(2S)-1-(morpholin-4-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl}ethenesulfonamide, CALCIUM ION, Coagulation factor X, ... | Authors: | Convery, M.A, Young, R.J, Senger, S, Hamblin, J.N, Chan, C, Toomey, J.R, Watson, N.S. | Deposit date: | 2015-02-13 | Release date: | 2015-09-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Factor Xa inhibitors: S1 binding interactions of a series of N-{(3S)-1-[(1S)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}sulfonamides. J. Med. Chem., 50, 2007
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4Y7B
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![BU of 4y7b by Molmil](/molmil-images/mine/4y7b) | Factor Xa complex with GTC000441 | Descriptor: | 6-chloro-N-{(3S)-1-[(2S)-1-{(1R,5S)-7-[2-(methylamino)ethyl]-3,7-diazabicyclo[3.3.1]non-3-yl}-1-oxopropan-2-yl]-2-oxopy rrolidin-3-yl}naphthalene-2-sulfonamide, CALCIUM ION, Coagulation factor X | Authors: | Convery, M.A, Young, R.J, Senger, S, Hamblin, J.N, Chan, C, Toomey, J.R, Watson, N.S. | Deposit date: | 2015-02-13 | Release date: | 2015-09-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Factor Xa complex with GTC000441 to be published
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4R9U
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![BU of 4r9u by Molmil](/molmil-images/mine/4r9u) | Structure of vitamin B12 transporter BtuCD in a nucleotide-bound outward facing state | Descriptor: | LAURYL DIMETHYLAMINE-N-OXIDE, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Korkhov, V.M, Mireku, S.A, Veprintsev, D.B, Locher, K.P. | Deposit date: | 2014-09-08 | Release date: | 2014-11-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.785 Å) | Cite: | Structure of AMP-PNP-bound BtuCD and mechanism of ATP-powered vitamin B12 transport by BtuCD-F. Nat.Struct.Mol.Biol., 21, 2014
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4YH7
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![BU of 4yh7 by Molmil](/molmil-images/mine/4yh7) | Crystal structure of PTPdelta ectodomain in complex with IL1RAPL1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-1 receptor accessory protein-like 1, ... | Authors: | Yamagata, A, Fukai, S. | Deposit date: | 2015-02-27 | Release date: | 2015-05-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (4.4 Å) | Cite: | Mechanisms of splicing-dependent trans-synaptic adhesion by PTP delta-IL1RAPL1/IL-1RAcP for synaptic differentiation. Nat Commun, 6, 2015
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4REN
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![BU of 4ren by Molmil](/molmil-images/mine/4ren) | Crystal structure of UDP-glucose: anthocyanidin 3-O-glucosyltransferase in complex with petunidin | Descriptor: | 2-(3,4-dihydroxy-5-methoxyphenyl)-3,5,7-trihydroxychromenium, GLYCEROL, UDP-glucose:anthocyanidin 3-O-glucosyltransferase | Authors: | Hiromoto, T, Honjo, E, Tamada, T, Kuroki, R. | Deposit date: | 2014-09-23 | Release date: | 2015-01-21 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.704 Å) | Cite: | Structural basis for acceptor-substrate recognition of UDP-glucose: anthocyanidin 3-O-glucosyltransferase from Clitoria ternatea Protein Sci., 24, 2015
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4Y5D
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![BU of 4y5d by Molmil](/molmil-images/mine/4y5d) | CRYSTAL STRUCTURE OF ALiS2-STREPTAVIDIN COMPLEX | Descriptor: | 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, DIMETHYL SULFOXIDE, HEXAETHYLENE GLYCOL, ... | Authors: | Sugiyama, S, Terai, T, Kohno, M, Ishida, H, Nagano, T. | Deposit date: | 2015-02-11 | Release date: | 2015-09-23 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Artificial Ligands of Streptavidin (ALiS): Discovery, Characterization, and Application for Reversible Control of Intracellular Protein Transport J.Am.Chem.Soc., 137, 2015
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4YL8
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![BU of 4yl8 by Molmil](/molmil-images/mine/4yl8) | Crystal structure of the Crumbs/Moesin complex | Descriptor: | GLYCEROL, IODIDE ION, Moesin, ... | Authors: | Wei, Z, Li, Y, Zhang, M. | Deposit date: | 2015-03-05 | Release date: | 2015-04-01 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural Basis for the Phosphorylation-regulated Interaction between the Cytoplasmic Tail of Cell Polarity Protein Crumbs and the Actin-binding Protein Moesin J.Biol.Chem., 290, 2015
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4YLQ
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![BU of 4ylq by Molmil](/molmil-images/mine/4ylq) | Crystal Structure of a FVIIa-Trypsin Chimera (FT) in Complex with Soluble Tissue Factor | Descriptor: | CALCIUM ION, Coagulation factor VII, N-PROPANOL, ... | Authors: | Sorensen, A.B, Svensson, L.A, Gandhi, P.S. | Deposit date: | 2015-03-05 | Release date: | 2015-12-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Molecular Basis of Enhanced Activity in Factor VIIa-Trypsin Variants Conveys Insights into Tissue Factor-mediated Allosteric Regulation of Factor VIIa Activity. J.Biol.Chem., 291, 2016
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4OE4
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![BU of 4oe4 by Molmil](/molmil-images/mine/4oe4) | Crystal Structure of Yeast ALDH4A1 Complexed with NAD+ | Descriptor: | Delta-1-pyrroline-5-carboxylate dehydrogenase, mitochondrial, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Tanner, J.J. | Deposit date: | 2014-01-11 | Release date: | 2014-02-19 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.168 Å) | Cite: | Structural Studies of Yeast Delta (1)-Pyrroline-5-carboxylate Dehydrogenase (ALDH4A1): Active Site Flexibility and Oligomeric State. Biochemistry, 53, 2014
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4OQ6
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![BU of 4oq6 by Molmil](/molmil-images/mine/4oq6) | Crystal Structure of Human MCL-1 Bound to Inhibitor 4-hydroxy-4'-propylbiphenyl-3-carboxylic acid | Descriptor: | 4-hydroxy-4'-propylbiphenyl-3-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | Authors: | Petros, A.M, Swann, S.L, Song, D, Swinger, K, Park, C, Zhang, H, Wendt, M.D, Kunzer, A.R, Souers, A.J, Sun, C. | Deposit date: | 2014-02-07 | Release date: | 2014-03-12 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Fragment-based discovery of potent inhibitors of the anti-apoptotic MCL-1 protein. Bioorg.Med.Chem.Lett., 24, 2014
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4OL9
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![BU of 4ol9 by Molmil](/molmil-images/mine/4ol9) | |
4YYV
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![BU of 4yyv by Molmil](/molmil-images/mine/4yyv) | Ficin isoform C crystal form II | Descriptor: | 3,6,9,12,15,18-HEXAOXAICOSANE, Ficin isoform C, SULFATE ION | Authors: | Azarkan, M, Baeyens-Volant, D, Loris, R. | Deposit date: | 2015-03-24 | Release date: | 2016-04-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.902 Å) | Cite: | Crystal structure of four variants of the protease Ficin from the common fig To Be Published
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4Z2J
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![BU of 4z2j by Molmil](/molmil-images/mine/4z2j) | Serratia marcescens Chitinase B complexed with macrolide inhibitor 31 | Descriptor: | (1R,2R,3R,6R,7S,8S,9R,10R,12R,13S,17S)-3-ethyl-2,10-dihydroxy-2,6,8,10,12,15,15,17-octamethyl-5-oxo-9-(prop-2-yn-1-yloxy)-4,14,16-trioxabicyclo[11.3.1]heptadec-7-yl {5-[N'-(methylcarbamoyl)carbamimidamido]pentyl}carbamate, Chitinase B, GLYCEROL, ... | Authors: | Maita, N, Sugawara, A, Sunazuka, T. | Deposit date: | 2015-03-30 | Release date: | 2015-07-01 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Creation of Customized Bioactivity within a 14-Membered Macrolide Scaffold: Design, Synthesis, and Biological Evaluation Using a Family-18 Chitinase J.Med.Chem., 58, 2015
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4Z35
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![BU of 4z35 by Molmil](/molmil-images/mine/4z35) | Crystal Structure of Human Lysophosphatidic Acid Receptor 1 in complex with ONO-9910539 | Descriptor: | (2S)-2,3-dihydroxypropyl (7Z)-tetradec-7-enoate, 3-{1-[(2S,3S)-3-(4-acetyl-3,5-dimethoxyphenyl)-2-(2,3-dihydro-1H-inden-2-ylmethyl)-3-hydroxypropyl]-4-(methoxycarbonyl)-1H-pyrrol-3-yl}propanoic acid, Lysophosphatidic acid receptor 1,Soluble cytochrome b562 | Authors: | Chrencik, J.E, Roth, C.B, Terakado, M, Kurata, H, Omi, R, Kihara, Y, Warshaviak, D, Nakade, S, Asmar-Rovira, G, Mileni, M, Mizuno, H, Griffith, M.T, Rodgers, C, Han, G.W, Velasquez, J, Chun, J, Stevens, R.C, Hanson, M.A, GPCR Network (GPCR) | Deposit date: | 2015-03-30 | Release date: | 2015-06-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal Structure of Antagonist Bound Human Lysophosphatidic Acid Receptor 1. Cell, 161, 2015
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4Z5R
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![BU of 4z5r by Molmil](/molmil-images/mine/4z5r) | Rontalizumab Fab bound to Interferon-a2 | Descriptor: | Interferon alpha-2, SULFATE ION, anti-IFN-a antibody rontalizumab heavy chain modules VH and CH1 (Fab), ... | Authors: | Eigenbrot, C, Maurer, B, Bosanac, I. | Deposit date: | 2015-04-02 | Release date: | 2015-07-08 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural basis of the broadly neutralizing anti-interferon-alpha antibody rontalizumab. Protein Sci., 24, 2015
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4OH3
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![BU of 4oh3 by Molmil](/molmil-images/mine/4oh3) | Crystal structure of a nitrate transporter | Descriptor: | DODECYL-BETA-D-MALTOSIDE, NITRATE ION, Nitrate transporter 1.1 | Authors: | Sun, J, Bankston, J.R, Payandeh, J, Hinds, T.R, Zagotta, W.N, Zheng, N. | Deposit date: | 2014-01-16 | Release date: | 2014-03-05 | Last modified: | 2014-03-12 | Method: | X-RAY DIFFRACTION (3.25 Å) | Cite: | Crystal structure of the plant dual-affinity nitrate transporter NRT1.1. Nature, 507, 2014
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4YYW
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![BU of 4yyw by Molmil](/molmil-images/mine/4yyw) | Ficin D2 | Descriptor: | Ficin isoform D, SULFATE ION | Authors: | Azarkan, M, Baeyens-Volant, D, Loris, R. | Deposit date: | 2015-03-24 | Release date: | 2016-04-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.446 Å) | Cite: | Crystal structure of four variants of the protease Ficin from the common fig To Be Published
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4P08
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![BU of 4p08 by Molmil](/molmil-images/mine/4p08) | Engineered thermostable dimeric cocaine esterase | Descriptor: | Cocaine esterase | Authors: | Rodgers, D.W, Chow, K.-M, Fang, L, Zhan, C.-G. | Deposit date: | 2014-02-20 | Release date: | 2014-07-16 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.341 Å) | Cite: | Rational design, preparation, and characterization of a therapeutic enzyme mutant with improved stability and function for cocaine detoxification. Acs Chem.Biol., 9, 2014
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4Z42
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![BU of 4z42 by Molmil](/molmil-images/mine/4z42) | Crystal structure of urease from Yersinia enterocolitica | Descriptor: | NICKEL (II) ION, Urease subunit alpha, Urease subunit beta, ... | Authors: | Studer, G, Jakob, R.P, Mahi, M.A, Wiesand, U, Schwede, T, Maier, T. | Deposit date: | 2015-04-01 | Release date: | 2016-04-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.01 Å) | Cite: | Crystal structure of urease from Yersinia enterocolitica To Be Published
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4OR2
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![BU of 4or2 by Molmil](/molmil-images/mine/4or2) | Human class C G protein-coupled metabotropic glutamate receptor 1 in complex with a negative allosteric modulator | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-fluoro-N-methyl-N-{4-[6-(propan-2-ylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl}benzamide, CHOLESTEROL, ... | Authors: | Wu, H, Wang, C, Gregory, K.J, Han, G.W, Cho, H.P, Xia, Y, Niswender, C.M, Katritch, V, Cherezov, V, Conn, P.J, Stevens, R.C, GPCR Network (GPCR) | Deposit date: | 2014-02-10 | Release date: | 2014-03-19 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure of a class C GPCR metabotropic glutamate receptor 1 bound to an allosteric modulator Science, 344, 2014
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4Z7F
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![BU of 4z7f by Molmil](/molmil-images/mine/4z7f) | Crystal structure of FolT bound with folic acid | Descriptor: | FOLIC ACID, Folate ECF transporter | Authors: | Zhao, Q, Wang, C.C, Wang, C.Y, Zhang, P. | Deposit date: | 2015-04-07 | Release date: | 2015-07-29 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.194 Å) | Cite: | Structures of FolT in substrate-bound and substrate-released conformations reveal a gating mechanism for ECF transporters Nat Commun, 6, 2015
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4YYR
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![BU of 4yyr by Molmil](/molmil-images/mine/4yyr) | Ficin B crystal form I | Descriptor: | Ficin B, SULFATE ION | Authors: | Azarkan, M, Baeyens-Volant, D, Loris, R. | Deposit date: | 2015-03-24 | Release date: | 2016-04-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.349 Å) | Cite: | Crystal structure of four variants of the protease Ficin from the common fig To Be Published
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4Z2K
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![BU of 4z2k by Molmil](/molmil-images/mine/4z2k) | Serratia marcescens Chitinase B complexed with macrolide inhibitor 32 | Descriptor: | (1R,2R,3R,6R,7S,8S,9R,10R,12R,13S,17S)-3-ethyl-2,10-dihydroxy-2,6,8,10,12,15,15,17-octamethyl-5-oxo-9-(prop-2-yn-1-yloxy)-4,14,16-trioxabicyclo[11.3.1]heptadec-7-yl {7-[N'-(methylcarbamoyl)carbamimidamido]heptyl}carbamate, Chitinase B, GLYCEROL | Authors: | Maita, N, Sugawara, A, Sunazuka, T. | Deposit date: | 2015-03-30 | Release date: | 2015-07-01 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Creation of Customized Bioactivity within a 14-Membered Macrolide Scaffold: Design, Synthesis, and Biological Evaluation Using a Family-18 Chitinase J.Med.Chem., 58, 2015
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4Z2H
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![BU of 4z2h by Molmil](/molmil-images/mine/4z2h) | Serratia marcescens Chitinase B complexed with macrolide inhibitor 29 | Descriptor: | (1R,2R,3R,6R,7S,8S,9R,10R,12R,13S,17S)-3-ethyl-2,10-dihydroxy-2,6,8,10,12,15,15,17-octamethyl-5-oxo-9-(prop-2-yn-1-yloxy)-4,14,16-trioxabicyclo[11.3.1]heptadec-7-yl {2-[N'-(methylcarbamoyl)carbamimidamido]ethyl}carbamate, CHLORIDE ION, Chitinase B, ... | Authors: | Maita, N, Sugawara, A, Sunazuka, T. | Deposit date: | 2015-03-30 | Release date: | 2015-07-01 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Creation of Customized Bioactivity within a 14-Membered Macrolide Scaffold: Design, Synthesis, and Biological Evaluation Using a Family-18 Chitinase J.Med.Chem., 58, 2015
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