5Z7Y
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![BU of 5z7y by Molmil](/molmil-images/mine/5z7y) | Crystal structure of Striga hermonthica HTL7 (ShHTL7) | Descriptor: | 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, Hyposensitive to light 7, ... | Authors: | Xu, Y, Miyakawa, T, Nakamura, A, Tanokura, M. | Deposit date: | 2018-01-30 | Release date: | 2018-08-29 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural analysis of HTL and D14 proteins reveals the basis for ligand selectivity in Striga. Nat Commun, 9, 2018
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4ETD
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![BU of 4etd by Molmil](/molmil-images/mine/4etd) | Lysozyme, room-temperature, rotating anode, 0.0026 MGy | Descriptor: | CHLORIDE ION, Lysozyme C | Authors: | Boutet, S, Lomb, L, Williams, G, Barends, T, Aquila, A, Doak, R.B, Weierstall, U, DePonte, D, Steinbrener, J, Shoeman, R, Messerschmidt, M, Barty, A, White, T, Kassemeyer, S, Kirian, R, Seibert, M, Montanez, P, Kenney, C, Herbst, R, Hart, P, Pines, J, Haller, G, Gruner, S, Philllip, H, Tate, M, Hromalik, M, Koerner, L, van Bakel, N, Morse, J, Ghonsalves, W, Arnlund, D, Bogan, M, Calemann, C, Fromme, R, Hampton, C, Hunter, M, Johansson, L, Katona, G, Kupitz, C, Liang, M, Martin, A, Nass, K, Redecke, L, Stellato, F, Timneanu, N, Wang, D, Zatsepin, N, Schafer, D, Defever, K, Neutze, R, Fromme, P, Spence, J, Chapman, H, Schlichting, I. | Deposit date: | 2012-04-24 | Release date: | 2012-06-13 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (1.904 Å) | Cite: | High-resolution protein structure determination by serial femtosecond crystallography. Science, 337, 2012
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1ZIX
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![BU of 1zix by Molmil](/molmil-images/mine/1zix) | Crystal Structure Analysis of the dienelactone hydrolase mutant (E36D, R105H, C123S, G211D, K234N)- 1.8 A | Descriptor: | Carboxymethylenebutenolidase, GLYCEROL | Authors: | Kim, H.-K, Liu, J.-W, Carr, P.D, Ollis, D.L. | Deposit date: | 2005-04-27 | Release date: | 2005-07-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Following directed evolution with crystallography: structural changes observed in changing the substrate specificity of dienelactone hydrolase. Acta Crystallogr.,Sect.D, 61, 2005
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6G69
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![BU of 6g69 by Molmil](/molmil-images/mine/6g69) | Crystal structure of a parallel seven-helix coiled coil CC-Type2-IL-Sg-L17E | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CC-Type2-IL-Sg-L17E | Authors: | Rhys, G.G, Brady, R.L, Woolfson, D.N. | Deposit date: | 2018-04-01 | Release date: | 2018-10-17 | Last modified: | 2019-01-23 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Maintaining and breaking symmetry in homomeric coiled-coil assemblies. Nat Commun, 9, 2018
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5J13
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![BU of 5j13 by Molmil](/molmil-images/mine/5j13) | |
5JQN
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![BU of 5jqn by Molmil](/molmil-images/mine/5jqn) | |
2P93
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![BU of 2p93 by Molmil](/molmil-images/mine/2p93) | |
5JPM
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![BU of 5jpm by Molmil](/molmil-images/mine/5jpm) | Structure of the complex of human complement C4 with MASP-2 rebuilt using iMDFF | Descriptor: | Complement C4-A, Mannan-binding lectin serine protease 2, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Croll, T.I, Andersen, G.R. | Deposit date: | 2016-05-03 | Release date: | 2016-08-10 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.75 Å) | Cite: | Re-evaluation of low-resolution crystal structures via interactive molecular-dynamics flexible fitting (iMDFF): a case study in complement C4. Acta Crystallogr D Struct Biol, 72, 2016
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4ENX
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![BU of 4enx by Molmil](/molmil-images/mine/4enx) | Crystal Structure of Pim-1 Kinase in complex with inhibitor (2E,5Z)-2-(2-chlorophenylimino)-5-(4-hydroxy-3-nitrobenzylidene)thiazolidin-4-one | Descriptor: | (2Z,5Z)-2-[(2-chlorophenyl)imino]-5-(4-hydroxy-3-nitrobenzylidene)-1,3-thiazolidin-4-one, PHOSPHATE ION, Serine/threonine-protein kinase pim-1 | Authors: | Parker, L.J, Handa, N, Yokoyama, S. | Deposit date: | 2012-04-13 | Release date: | 2012-08-08 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Flexibility of the P-loop of Pim-1 kinase: observation of a novel conformation induced by interaction with an inhibitor Acta Crystallogr.,Sect.F, 68, 2012
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4CGU
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![BU of 4cgu by Molmil](/molmil-images/mine/4cgu) | Full length Tah1 bound to yeast PIH1 and HSP90 peptide SRMEEVD | Descriptor: | GLYCEROL, HEAT SHOCK PROTEIN HSP 90-ALPHA, PROTEIN INTERACTING WITH HSP90 1, ... | Authors: | Roe, S.M, Pal, M. | Deposit date: | 2013-11-26 | Release date: | 2014-05-14 | Last modified: | 2017-06-28 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Structural Basis for Phosphorylation-Dependent Recruitment of Tel2 to Hsp90 by Pih1. Structure, 22, 2014
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7URG
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![BU of 7urg by Molmil](/molmil-images/mine/7urg) | |
5JTW
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![BU of 5jtw by Molmil](/molmil-images/mine/5jtw) | Crystal structure of complement C4b re-refined using iMDFF | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Complement C4-A | Authors: | Croll, T.I, Andersen, G.R. | Deposit date: | 2016-05-09 | Release date: | 2016-08-10 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Re-evaluation of low-resolution crystal structures via interactive molecular-dynamics flexible fitting (iMDFF): a case study in complement C4. Acta Crystallogr D Struct Biol, 72, 2016
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6FKS
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![BU of 6fks by Molmil](/molmil-images/mine/6fks) | Crystal structure of a dye-decolorizing peroxidase from Klebsiella pneumoniae (KpDyP) | Descriptor: | GLYCEROL, Iron-dependent peroxidase, MAGNESIUM ION, ... | Authors: | Pfanzagl, V, Hofbauer, S, Mlynek, G. | Deposit date: | 2018-01-24 | Release date: | 2018-08-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.60000467 Å) | Cite: | Roles of distal aspartate and arginine of B-class dye-decolorizing peroxidase in heterolytic hydrogen peroxide cleavage. J. Biol. Chem., 293, 2018
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6FL2
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![BU of 6fl2 by Molmil](/molmil-images/mine/6fl2) | Crystal structure of a dye-decolorizing peroxidase D143A variant from Klebsiella pneumoniae (KpDyP) | Descriptor: | GLYCEROL, Iron-dependent peroxidase, MAGNESIUM ION, ... | Authors: | Pfanzagl, V, Hofbauer, S, Mlynek, G. | Deposit date: | 2018-01-25 | Release date: | 2018-08-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.270001 Å) | Cite: | Roles of distal aspartate and arginine of B-class dye-decolorizing peroxidase in heterolytic hydrogen peroxide cleavage. J. Biol. Chem., 293, 2018
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2ONY
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![BU of 2ony by Molmil](/molmil-images/mine/2ony) | Structure of hPNMT with inhibitor 7-(N-4-chlorophenylaminosulfonyl)-THIQ and AdoHcy | Descriptor: | N-(4-CHLOROPHENYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-7-SULFONAMIDE, PHOSPHATE ION, Phenylethanolamine N-methyltransferase, ... | Authors: | Drinkwater, N, Martin, J.L. | Deposit date: | 2007-01-24 | Release date: | 2007-10-09 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Enzyme Adaptation to Inhibitor Binding: A Cryptic Binding Site in Phenylethanolamine N-Methyltransferase J.Med.Chem., 50, 2007
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4DED
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![BU of 4ded by Molmil](/molmil-images/mine/4ded) | Aurora A in complex with YL1-038-21 | Descriptor: | 1,2-ETHANEDIOL, 2-({2-[(4-carbamoylphenyl)amino]pyrimidin-4-yl}amino)benzamide, Aurora kinase A | Authors: | Martin, M.P, Zhu, J.-Y, Schonbrunn, E. | Deposit date: | 2012-01-20 | Release date: | 2012-08-22 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Development of o-Chlorophenyl Substituted Pyrimidines as Exceptionally Potent Aurora Kinase Inhibitors. J.Med.Chem., 55, 2012
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2OR3
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4DCD
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![BU of 4dcd by Molmil](/molmil-images/mine/4dcd) | 1.6A resolution structure of PolioVirus 3C Protease Containing a covalently bound dipeptidyl inhibitor | Descriptor: | (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Genome polyprotein, ... | Authors: | Lovell, S, Battaile, K.P, Kim, Y, Tiew, K.-C, Mandadapu, S.R, Alliston, K.R, Groutas, W.C, Chang, K.O. | Deposit date: | 2012-01-17 | Release date: | 2012-09-05 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Broad-Spectrum Antivirals against 3C or 3C-Like Proteases of Picornaviruses, Noroviruses, and Coronaviruses. J.Virol., 86, 2012
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5Z7W
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![BU of 5z7w by Molmil](/molmil-images/mine/5z7w) | Crystal structure of Striga hermonthica HTL1 (ShHTL1) | Descriptor: | GLYCEROL, Hyposensitive to light 1, MAGNESIUM ION, ... | Authors: | Xu, Y, Miyakawa, T, Nakamura, A, Tanokura, M. | Deposit date: | 2018-01-30 | Release date: | 2018-08-29 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.657 Å) | Cite: | Structural analysis of HTL and D14 proteins reveals the basis for ligand selectivity in Striga. Nat Commun, 9, 2018
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5JPN
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![BU of 5jpn by Molmil](/molmil-images/mine/5jpn) | Structure of human complement C4 rebuilt using iMDFF | Descriptor: | 2-acetamido-2-deoxy-alpha-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Complement C4-A, ... | Authors: | Croll, T.I, Andersen, G.R. | Deposit date: | 2016-05-03 | Release date: | 2016-08-10 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | Re-evaluation of low-resolution crystal structures via interactive molecular-dynamics flexible fitting (iMDFF): a case study in complement C4. Acta Crystallogr D Struct Biol, 72, 2016
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1Y20
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5YU9
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![BU of 5yu9 by Molmil](/molmil-images/mine/5yu9) | Crystal structure of EGFR 696-1022 T790M in complex with Ibrutinib | Descriptor: | 1-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}prop-2-en-1-one, CHLORIDE ION, Epidermal growth factor receptor | Authors: | Yan, X.E, Yun, C.H. | Deposit date: | 2017-11-21 | Release date: | 2017-12-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Ibrutinib targets mutant-EGFR kinase with a distinct binding conformation. Oncotarget, 7, 2016
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4DN3
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![BU of 4dn3 by Molmil](/molmil-images/mine/4dn3) | Crystal structure of anti-mcp-1 antibody cnto888 | Descriptor: | CNTO888 HEAVY CHAIN, CNTO888 LIGHT CHAIN | Authors: | Obmolova, G, Teplyakov, A, Malia, T, Grygiel, T, Sweet, R, Snyder, L, Gilliland, G. | Deposit date: | 2012-02-08 | Release date: | 2012-10-03 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural basis for high selectivity of anti-CCL2 neutralizing antibody CNTO 888. Mol.Immunol., 51, 2012
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1Y1M
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1Y1Z
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![BU of 1y1z by Molmil](/molmil-images/mine/1y1z) | |