4P3W
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5MGD
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![BU of 5mgd by Molmil](/molmil-images/mine/5mgd) | STRUCTURE OF E298Q-BETA-GALACTOSIDASE FROM ASPERGILLUS NIGER IN COMPLEX WITH 6-Galactosyl-lactose | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | 著者 | Rico-Diaz, A, Ramirez-Escudero, M, Vizoso Vazquez, A, Cerdan, M.E, Becerra, M, Sanz-Aparicio, J. | 登録日 | 2016-11-21 | 公開日 | 2017-04-19 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Structural features of Aspergillus niger beta-galactosidase define its activity against glycoside linkages. FEBS J., 284, 2017
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5MOZ
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![BU of 5moz by Molmil](/molmil-images/mine/5moz) | OXA-10 Avibactam complex with bound Iodide | 分子名称: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase OXA-10, CHLORIDE ION, ... | 著者 | Brem, J. | 登録日 | 2016-12-15 | 公開日 | 2017-07-12 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.34 Å) | 主引用文献 | (13)C-Carbamylation as a mechanistic probe for the inhibition of class D beta-lactamases by avibactam and halide ions. Org. Biomol. Chem., 15, 2017
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5CBA
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![BU of 5cba by Molmil](/molmil-images/mine/5cba) | 3B4 in complex with CXCL13 - 3B4-CXCL13 | 分子名称: | 1,2-ETHANEDIOL, 3b4 heavy chain, 3b4 light chain, ... | 著者 | Tu, C, Bard, J, Mosyak, L. | 登録日 | 2015-06-30 | 公開日 | 2015-11-04 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | A Combination of Structural and Empirical Analyses Delineates the Key Contacts Mediating Stability and Affinity Increases in an Optimized Biotherapeutic Single-chain Fv (scFv). J. Biol. Chem., 291, 2016
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2UUT
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![BU of 2uut by Molmil](/molmil-images/mine/2uut) | The 2.4 angstrom resolution structure of the D346G mutant of the Sapporo Virus RdRp polymerase | 分子名称: | RNA-DIRECTED RNA POLYMERASE | 著者 | Fullerton, S.W.B, Robel, I, Schuldt, L, Gebhardt, J, Tucker, P, Rohayem, J. | 登録日 | 2007-03-07 | 公開日 | 2007-05-01 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | The 2.4 Angstrom Resolution Structure of the D346G Mutant of the Sapporo Virus Rdrp Polymerase To be Published
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5MQE
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5MQK
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6HK5
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![BU of 6hk5 by Molmil](/molmil-images/mine/6hk5) | X-ray structure of a truncated mutant of the metallochaperone CooJ with a high-affinity nickel-binding site | 分子名称: | 3,3',3''-phosphoryltripropanoic acid, CALCIUM ION, CHLORIDE ION, ... | 著者 | Alfano, M, Perard, J, Basset, C, Carpentier, P, Zambelli, B, Timm, J, Crouzy, S, Ciurli, S, Cavazza, C. | 登録日 | 2018-09-05 | 公開日 | 2019-03-27 | 最終更新日 | 2019-10-16 | 実験手法 | X-RAY DIFFRACTION (2.042 Å) | 主引用文献 | The carbon monoxide dehydrogenase accessory protein CooJ is a histidine-rich multidomain dimer containing an unexpected Ni(II)-binding site. J.Biol.Chem., 294, 2019
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5MJN
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5EIC
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5CEN
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![BU of 5cen by Molmil](/molmil-images/mine/5cen) | Crystal structure of DLK (kinase domain) | 分子名称: | Mitogen-activated protein kinase kinase kinase 12 | 著者 | HARRIS, S.F, YIN, J. | 登録日 | 2015-07-07 | 公開日 | 2015-10-14 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Scaffold-Hopping and Structure-Based Discovery of Potent, Selective, And Brain Penetrant N-(1H-Pyrazol-3-yl)pyridin-2-amine Inhibitors of Dual Leucine Zipper Kinase (DLK, MAP3K12). J.Med.Chem., 58, 2015
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5NE2
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![BU of 5ne2 by Molmil](/molmil-images/mine/5ne2) | L2 class A serine-beta-lactamase | 分子名称: | Beta-lactamase, D-GLUTAMIC ACID | 著者 | Hinchliffe, P, Calvopina, K, Spencer, J. | 登録日 | 2017-03-09 | 公開日 | 2017-09-13 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.19 Å) | 主引用文献 | Structural/mechanistic insights into the efficacy of nonclassical beta-lactamase inhibitors against extensively drug resistant Stenotrophomonas maltophilia clinical isolates. Mol. Microbiol., 106, 2017
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1A3B
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![BU of 1a3b by Molmil](/molmil-images/mine/1a3b) | COMPLEX OF HUMAN ALPHA-THROMBIN WITH THE BIFUNCTIONAL BORONATE INHIBITOR BOROLOG1 | 分子名称: | ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), Hirudin, ... | 著者 | Skordalakes, E, Elgendy, S, Dodson, G, Goodwin, C.A, Green, D, Scully, M.F, Freyssinet, J.H, Kakkar, V.V, Deadman, J. | 登録日 | 1998-01-20 | 公開日 | 1998-06-03 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Bifunctional peptide boronate inhibitors of thrombin: crystallographic analysis of inhibition enhanced by linkage to an exosite 1 binding peptide. Biochemistry, 37, 1998
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5N71
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![BU of 5n71 by Molmil](/molmil-images/mine/5n71) | CRYSTAL STRUCTURE OF MATURE CATHEPSIN D FROM THE TICK IXODES RICINUS (IRCD1) | 分子名称: | DI(HYDROXYETHYL)ETHER, Putative cathepsin d, SULFATE ION | 著者 | Brynda, J, Hanova, I, Hobizalova, R, Mares, M. | 登録日 | 2017-02-17 | 公開日 | 2017-12-27 | 最終更新日 | 2018-03-28 | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | 主引用文献 | Novel Structural Mechanism of Allosteric Regulation of Aspartic Peptidases via an Evolutionarily Conserved Exosite. Cell Chem Biol, 25, 2018
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5N7Q
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![BU of 5n7q by Molmil](/molmil-images/mine/5n7q) | CRYSTAL STRUCTURE OF MATURE CATHEPSIN D FROM THE TICK IXODES RICINUS (IRCD1) IN COMPLEX WITH THE INHIBITOR PEPSTATIN A | 分子名称: | DI(HYDROXYETHYL)ETHER, GLYCEROL, PEPSTATIN A, ... | 著者 | Brynda, J, Hanova, I, Hobizalova, R, Mares, M. | 登録日 | 2017-02-21 | 公開日 | 2017-12-27 | 最終更新日 | 2018-06-13 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Novel Structural Mechanism of Allosteric Regulation of Aspartic Peptidases via an Evolutionarily Conserved Exosite. Cell Chem Biol, 25, 2018
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5EIY
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![BU of 5eiy by Molmil](/molmil-images/mine/5eiy) | Bacterial cellulose synthase bound to a substrate analogue | 分子名称: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), DIUNDECYL PHOSPHATIDYL CHOLINE, LAURYL DIMETHYLAMINE-N-OXIDE, ... | 著者 | McNamara, J.T, Zimmer, J. | 登録日 | 2015-10-30 | 公開日 | 2016-03-09 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | 主引用文献 | Observing cellulose biosynthesis and membrane translocation in crystallo. Nature, 531, 2016
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4A8A
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![BU of 4a8a by Molmil](/molmil-images/mine/4a8a) | Asymmetric cryo-EM reconstruction of E. coli DegQ 12-mer in complex with lysozyme | 分子名称: | LYSOZYME C, PERIPLASMIC PH-DEPENDENT SERINE ENDOPROTEASE DEGQ | 著者 | Malet, H, Canellas, F, Sawa, J, Yan, J, Thalassinos, K, Ehrmann, M, Clausen, T, Saibil, H.R. | 登録日 | 2011-11-20 | 公開日 | 2011-12-28 | 最終更新日 | 2024-05-08 | 実験手法 | ELECTRON MICROSCOPY (14.2 Å) | 主引用文献 | Newly Folded Substrates Inside the Molecular Cage of the Htra Chaperone Degq Nat.Struct.Mol.Biol., 19, 2012
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6HLP
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![BU of 6hlp by Molmil](/molmil-images/mine/6hlp) | Crystal structure of the Neurokinin 1 receptor in complex with the small molecule antagonist Netupitant | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-[3,5-bis(trifluoromethyl)phenyl]-~{N},2-dimethyl-~{N}-[4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridin-3-yl]propanamide, CITRIC ACID, ... | 著者 | Schoppe, J, Ehrenmann, J, Klenk, C, Rucktooa, P, Schutz, M, Dore, A.S, Pluckthun, A. | 登録日 | 2018-09-11 | 公開日 | 2019-01-16 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Crystal structures of the human neurokinin 1 receptor in complex with clinically used antagonists. Nat Commun, 10, 2019
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4ZZM
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![BU of 4zzm by Molmil](/molmil-images/mine/4zzm) | Human ERK2 in complex with an irreversible inhibitor | 分子名称: | 7-ethylsulfonyl-N-(oxan-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine, MITOGEN-ACTIVATED PROTEIN KINASE 1, SULFATE ION | 著者 | Ward, R.A, Colclough, N, Challinor, M, Debreczeni, J.E, Eckersley, K, Fairley, G, Feron, L, Flemington, V, Graham, M.A, Greenwood, R, Hopcroft, P, Howard, T.D, James, M, Jones, C.D, Jones, C.R, Renshaw, J, Roberts, K, Snow, L, Tonge, M, Yeung, K. | 登録日 | 2015-04-10 | 公開日 | 2015-05-27 | 最終更新日 | 2015-08-26 | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | 主引用文献 | Structure-Guided Design of Highly Selective and Potent Covalent Inhibitors of Erk1/2. J.Med.Chem., 58, 2015
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4ER5
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![BU of 4er5 by Molmil](/molmil-images/mine/4er5) | Crystal structure of human DOT1L in complex with 2 molecules of EPZ004777 | 分子名称: | 7-{5-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5-deoxy-beta-D-ribofuranosyl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Histone-lysine N-methyltransferase, H3 lysine-79 specific, ... | 著者 | Wernimont, A.K, Tempel, W, Yu, W, Scopton, A, Li, Y, Nguyen, K.T, Federation, A, Marineau, J, Qi, J, Vedadi, M, Bradner, J.E, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brown, P.J, Structural Genomics Consortium (SGC) | 登録日 | 2012-04-19 | 公開日 | 2012-05-16 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.57 Å) | 主引用文献 | Catalytic site remodelling of the DOT1L methyltransferase by selective inhibitors. Nat Commun, 3, 2012
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2UUW
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![BU of 2uuw by Molmil](/molmil-images/mine/2uuw) | 2.75 angstrom structure of the D347G D348G mutant structure of Sapporo Virus RdRp Polymerase | 分子名称: | RNA-DIRECTED RNA POLYMERASE | 著者 | Fullerton, S, Robel, I, Schuldt, L, Gebhardt, J, Tucker, P, Rohayem, J. | 登録日 | 2007-03-07 | 公開日 | 2007-05-01 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.76 Å) | 主引用文献 | The 2.76 Angstrom Resolution Structure of the D347G D348G Mutant Structure of Sapporo Virus Rdrp Polymerase To be Published
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1AGX
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![BU of 1agx by Molmil](/molmil-images/mine/1agx) | REFINED CRYSTAL STRUCTURE OF ACINETOBACTER GLUTAMINASIFICANS GLUTAMINASE-ASPARAGINASE | 分子名称: | GLUTAMINASE-ASPARAGINASE | 著者 | Lubkowski, J, Wlodawer, A, Housset, D, Weber, I.T, Ammon, H.L, Murphy, K.C, Swain, A.L. | 登録日 | 1994-07-13 | 公開日 | 1994-12-20 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Refined crystal structure of Acinetobacter glutaminasificans glutaminase-asparaginase. Acta Crystallogr.,Sect.D, 50, 1994
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4AHU
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![BU of 4ahu by Molmil](/molmil-images/mine/4ahu) | Parallel screening of a low molecular weight compound library: do differences in methodology affect hit identification | 分子名称: | 1,2-ETHANEDIOL, 1H-INDOLE-3-CARBOXYLIC ACID, ACETIC ACID, ... | 著者 | Wielens, J, Heady, S.J, Rhodes, D.I, Mulder, R.J, Dolezal, O, Deadman, J.J, Newman, J, Chalmers, D.K, Parker, M.W, Peat, T.S, Scanlon, M.J. | 登録日 | 2012-02-07 | 公開日 | 2012-12-19 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Parallel Screening of Low Molecular Weight Fragment Libraries: Do Differences in Methodology Affect Hit Identification? J.Biomol.Screen, 18, 2013
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1SVZ
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![BU of 1svz by Molmil](/molmil-images/mine/1svz) | Crystal structure of the single-chain Fv fragment 1696 in complex with the epitope peptide corresponding to N-terminus of HIV-2 protease | 分子名称: | epitope peptide corresponding to N-terminus of HIV-2 protease, single-chain Fv fragment 1696 | 著者 | Rezacova, P, Brynda, J, Lescar, J, Bentley, G.A, Fabry, M, Horejsi, M, Sedlacek, J. | 登録日 | 2004-03-30 | 公開日 | 2005-03-01 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | 主引用文献 | Crystal structure of a cross-reaction complex between an anti-HIV-1 protease antibody and an HIV-2 protease peptide J.Struct.Biol., 149, 2005
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2V9Z
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![BU of 2v9z by Molmil](/molmil-images/mine/2v9z) | Structure of the Rhodococcus haloalkane dehalogenase mutant with enhanced enantioselectivity | 分子名称: | HALOALKANE DEHALOGENASE | 著者 | Koudelakova, T, Prokop, Z, Sato, Y, Lapkouski, M, Chovancova, E, Monincova, M, Jesenska, A, Emmer, J, Senda, T, Nagata, Y, Kuta Smatanova, I, Damborsky, J. | 登録日 | 2007-08-28 | 公開日 | 2008-09-16 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Rational Engineering of Rhodococcus Haloalkane Dehalogenase with Enhanced Enantioselectivity To be Published
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