2A4N
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![BU of 2a4n by Molmil](/molmil-images/mine/2a4n) | Crystal structure of aminoglycoside 6'-N-acetyltransferase complexed with coenzyme A | Descriptor: | COENZYME A, SULFATE ION, aac(6')-Ii | Authors: | Burk, D.L, Xiong, B, Breitbach, C, Berghuis, A.M. | Deposit date: | 2005-06-29 | Release date: | 2005-09-20 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structures of aminoglycoside acetyltransferase AAC(6')-Ii in a novel crystal form: structural and normal-mode analyses. Acta Crystallogr.,Sect.D, 61, 2005
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4R7A
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![BU of 4r7a by Molmil](/molmil-images/mine/4r7a) | Crystal Structure of RBBP4 bound to PHF6 peptide | Descriptor: | GLYCEROL, Histone-binding protein RBBP4, PHD finger protein 6 | Authors: | Liu, Z, Li, F, Zhang, B, Li, S, Wu, J, Shi, Y. | Deposit date: | 2014-08-27 | Release date: | 2015-01-14 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural Basis of Plant Homeodomain Finger 6 (PHF6) Recognition by the Retinoblastoma Binding Protein 4 (RBBP4) Component of the Nucleosome Remodeling and Deacetylase (NuRD) Complex J.Biol.Chem., 290, 2015
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1AEV
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![BU of 1aev by Molmil](/molmil-images/mine/1aev) | INTRODUCTION OF NOVEL SUBSTRATE OXIDATION INTO CYTOCHROME C PEROXIDASE BY CAVITY COMPLEMENTATION: OXIDATION OF 2-AMINOTHIAZOLE AND COVALENT MODIFICATION OF THE ENZYME (2-AMINOTHIAZOLE) | Descriptor: | 2-AMINOTHIAZOLE, CYTOCHROME C PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Musah, R.A, Fitzgerald, M.M, Jensen, G.M, Mcree, D.E, Goodin, D.B. | Deposit date: | 1997-02-25 | Release date: | 1997-09-04 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Introduction of novel substrate oxidation into cytochrome c peroxidase by cavity complementation: oxidation of 2-aminothiazole and covalent modification of the enzyme. Biochemistry, 36, 1997
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4J2S
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![BU of 4j2s by Molmil](/molmil-images/mine/4j2s) | Macrolepiota procera ricin B-like lectin (MPL) in complex with Di-LacNAc | Descriptor: | BENZAMIDINE, Ricin B-like lectin, beta-D-galactopyranose-(1-4)-methyl 2-acetamido-2-deoxy-beta-D-glucopyranoside | Authors: | Renko, M, Zurga, S, Sabotic, J, Pohleven, J, Kos, J, Turk, D. | Deposit date: | 2013-02-05 | Release date: | 2013-11-20 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Macrolepiota procera ricin B-like lectin (MPL) in complex with Di-LacNAc To be Published
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1QJB
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![BU of 1qjb by Molmil](/molmil-images/mine/1qjb) | 14-3-3 ZETA/PHOSPHOPEPTIDE COMPLEX (MODE 1) | Descriptor: | 14-3-3 PROTEIN ZETA/DELTA, PHOSPHOPEPTIDE | Authors: | Rittinger, K, Budman, J, Xu, J, Volinia, S, Cantley, L.C, Smerdon, S.J, Gamblin, S.J, Yaffe, M.B. | Deposit date: | 1999-06-23 | Release date: | 1999-09-15 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Analysis of 14-3-3 Phosphopeptide Complexes Identifies a Dual Role for the Nuclear Export Signal of 14-3-3 in Ligand Binding Mol.Cell, 4, 1999
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4J7G
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![BU of 4j7g by Molmil](/molmil-images/mine/4j7g) | Crystal structure of EvaA, a 2,3-dehydratase in complex with dTDP-fucose and dTDP-rhamnose | Descriptor: | 2'-DEOXY-THYMIDINE-BETA-L-RHAMNOSE, EvaA 2,3-dehydratase, [[(2R,3S,5R)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3R,4S,5R,6R)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl] hydrogen phosphate | Authors: | Holden, H.M, Kubiak, R.L, Thoden, J.B. | Deposit date: | 2013-02-13 | Release date: | 2013-05-22 | Last modified: | 2013-12-25 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure of EvaA: A Paradigm for Sugar 2,3-Dehydratases. Biochemistry, 52, 2013
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1DOJ
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![BU of 1doj by Molmil](/molmil-images/mine/1doj) | Crystal structure of human alpha-thrombin*RWJ-51438 complex at 1.7 A | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ALPHA-THROMBIN, HIRUGEN, ... | Authors: | Recacha, R, Costanzo, M.J, Maryanoff, B.E, Carson, M, DeLucas, L, Chattopadhyay, D. | Deposit date: | 1999-12-21 | Release date: | 2000-11-03 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure of human alpha-thrombin complexed with RWJ-51438 at 1.7 A: unusual perturbation of the 60A-60I insertion loop. Acta Crystallogr.,Sect.D, 56, 2000
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2H32
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![BU of 2h32 by Molmil](/molmil-images/mine/2h32) | Crystal structure of the pre-B cell receptor | Descriptor: | Immunoglobulin heavy chain, Immunoglobulin iota chain, Immunoglobulin omega chain, ... | Authors: | Bankovich, A.J. | Deposit date: | 2006-05-22 | Release date: | 2007-04-24 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural Insight into Pre-B Cell Receptor Function Science, 316, 2007
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1E27
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![BU of 1e27 by Molmil](/molmil-images/mine/1e27) | Nonstandard peptide binding of HLA-B*5101 complexed with HIV immunodominant epitope KM1(LPPVVAKEI) | Descriptor: | BETA-2 MICROGLOBULIN LIGHT CHAIN, HIV-1 PEPTIDE (LPPVVAKEI), HLA CLASS I HISTOCOMPATIBILITY ANTIGEN HEAVY CHAIN | Authors: | Maenaka, K, Maenaka, T, Tomiyama, H, Takiguchi, M, Stuart, D.I, Jones, E.Y. | Deposit date: | 2000-05-18 | Release date: | 2000-09-12 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Nonstandard peptide binding revealed by crystal structures of HLA-B*5101 complexed with HIV immunodominant epitopes. J Immunol., 165, 2000
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1ZJ0
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![BU of 1zj0 by Molmil](/molmil-images/mine/1zj0) | Crystal Structure of Human Galactosyltransferase (GTB) Complexed with Lactose | Descriptor: | ABO blood group (transferase A, alpha 1-3-N-acetylgalactosaminyltransferase; transferase B, alpha 1-3-galactosyltransferase), ... | Authors: | Letts, J.A, Rose, N.L, Fang, Y.R, Barry, C.H, Borisova, S.N, Seto, N.O, Palcic, M.M, Evans, S.V. | Deposit date: | 2005-04-27 | Release date: | 2005-12-13 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Differential Recognition of the Type I and II H Antigen Acceptors by the Human ABO(H) Blood Group A and B Glycosyltransferases. J.Biol.Chem., 281, 2006
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1E28
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![BU of 1e28 by Molmil](/molmil-images/mine/1e28) | Nonstandard peptide binding of HLA-B*5101 complexed with HIV immunodominant epitope KM2(TAFTIPSI) | Descriptor: | BETA-2 MICROGLOBULIN LIGHT CHAIN, HLA CLASS I HISTOCOMPATIBILITY ANTIGEN HEAVY CHAIN, PEPTIDE | Authors: | Maenaka, K, Maenaka, T, Tomiyama, H, Takiguchi, M, Stuart, D.I, Jones, E.Y. | Deposit date: | 2000-05-18 | Release date: | 2000-09-12 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Nonstandard peptide binding revealed by crystal structures of HLA-B*5101 complexed with HIV immunodominant epitopes. J Immunol., 165, 2000
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2GYP
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![BU of 2gyp by Molmil](/molmil-images/mine/2gyp) | Diabetes mellitus due to a frustrated Schellman motif in HNF-1a | Descriptor: | Hepatocyte nuclear factor 1-alpha | Authors: | Narayana, N, Phillips, N.B, Hua, Q.X, Jia, W, Weiss, M.A. | Deposit date: | 2006-05-09 | Release date: | 2007-03-20 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Diabetes mellitus due to misfolding of a beta-cell transcription factor: stereospecific frustration of a Schellman motif in HNF-1alpha. J.Mol.Biol., 362, 2006
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3QZU
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![BU of 3qzu by Molmil](/molmil-images/mine/3qzu) | Crystal structure of Bacillus subtilis Lipase A 7-fold mutant; the outcome of directed evolution towards thermostability | Descriptor: | CHLORIDE ION, GLYCEROL, Lipase estA, ... | Authors: | Pijning, T, Augustyniak, W, Reetz, M.T, Dijkstra, B.W. | Deposit date: | 2011-03-07 | Release date: | 2012-02-08 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Biophysical characterization of mutants of Bacillus subtilis lipase evolved for thermostability: Factors contributing to increased activity retention. Protein Sci., 21, 2012
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2KRD
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![BU of 2krd by Molmil](/molmil-images/mine/2krd) | Solution Structure of the Regulatory Domain of Human Cardiac Troponin C in Complex with the Switch Region of cardiac Troponin I and W7 | Descriptor: | CALCIUM ION, N-(6-AMINOHEXYL)-5-CHLORO-1-NAPHTHALENESULFONAMIDE, Troponin C, ... | Authors: | Oleszczuk, M, Robertson, I.M, Li, M.X, Sykes, B.D. | Deposit date: | 2009-12-16 | Release date: | 2010-02-16 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure of the regulatory domain of human cardiac troponin C in complex with the switch region of cardiac troponin I and W7: the basis of W7 as an inhibitor of cardiac muscle contraction. J.MOL.CELL.CARDIOL., 48, 2010
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5VO5
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![BU of 5vo5 by Molmil](/molmil-images/mine/5vo5) | |
4S1S
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![BU of 4s1s by Molmil](/molmil-images/mine/4s1s) | Crystal structure of a VRC01-lineage antibody, 45-VRC01.H5.F-185917, in complex with clade A/E HIV-1 gp120 core | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Fab of VRC01 light chain, ... | Authors: | Kwon, Y.D, Yang, Y, Zhang, B, Kwong, P.D. | Deposit date: | 2015-01-14 | Release date: | 2015-04-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.39 Å) | Cite: | Maturation and Diversity of the VRC01-Antibody Lineage over 15 Years of Chronic HIV-1 Infection. Cell(Cambridge,Mass.), 161, 2015
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3SGM
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![BU of 3sgm by Molmil](/molmil-images/mine/3sgm) | Bromoderivative-2 of amyloid-related segment of alphaB-crystallin residues 90-100 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Alpha-crystallin B chain | Authors: | Laganowsky, A, Sawaya, M.R, Cascio, D, Eisenberg, D. | Deposit date: | 2011-06-15 | Release date: | 2012-03-21 | Method: | X-RAY DIFFRACTION (1.7006 Å) | Cite: | Atomic view of a toxic amyloid small oligomer. Science, 335, 2012
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3KQ0
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![BU of 3kq0 by Molmil](/molmil-images/mine/3kq0) | Crystal structure of human alpha1-acid glycoprotein | Descriptor: | (2R)-2,3-dihydroxypropyl acetate, Alpha-1-acid glycoprotein 1, CHLORIDE ION | Authors: | Schiefner, A, Schonfeld, D.L, Ravelli, R.B.G, Mueller, U, Skerra, A. | Deposit date: | 2009-11-17 | Release date: | 2010-02-02 | Last modified: | 2019-12-25 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The 1.8-A crystal structure of alpha1-acid glycoprotein (Orosomucoid) solved by UV RIP reveals the broad drug-binding activity of this human plasma lipocalin. J.Mol.Biol., 384, 2008
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5S4K
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![BU of 5s4k by Molmil](/molmil-images/mine/5s4k) | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with FMOOA000509a | Descriptor: | (2S,5R,6R)-7-methyl-2,3,4,5,6,7-hexahydro-1H-2,6-methanoazocino[5,4-b]indol-5-ol, Non-structural protein 3 | Authors: | Fearon, D, Schuller, M, Rangel, V.L, Douangamath, A, Rack, J.G.M, Zhu, K, Aimon, A, Brandao-Neto, J, Dias, A, Dunnet, L, Gorrie-Stone, T.J, Powell, A.J, Krojer, T, Skyner, R, Thompson, W, Ahel, I, von Delft, F. | Deposit date: | 2020-11-02 | Release date: | 2021-01-13 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.076 Å) | Cite: | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
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2A8W
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![BU of 2a8w by Molmil](/molmil-images/mine/2a8w) | Crystal Structure of Human N-acetylgalactosaminyltransferase (GTA) Complexed with Beta-Methyllactoside | Descriptor: | CHLORIDE ION, Histo-blood group ABO system transferase (NAGAT) [Includes: Glycoprotein-fucosylgalactoside alpha-N- acetylgalactosaminyltransferase (EC 2.4.1.40) (Fucosylglycoprotein alpha-N-acetylgalactosaminyltransferase) (Histo-blood group A transferase) (A transferase); Glycoprotein-fucosylgalactoside alpha- galactosyltransferase (EC 2.4.1.37) (Fucosylglycoprotein 3-alpha- galactosyltransferase) (Histo-blood group B transferase) (B transferase)] [Contains: Fucosylglycoprotein alpha-N- acetylgalactosaminyltransferase, soluble form], ... | Authors: | Letts, J.A, Rose, N.L, Fang, Y.R, Barry, C.H, Borisova, S.N, Seto, N.O, Palcic, M.M, Evans, S.V. | Deposit date: | 2005-07-09 | Release date: | 2005-12-13 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Differential Recognition of the Type I and II H Antigen Acceptors by the Human ABO(H) Blood Group A and B Glycosyltransferases. J.Biol.Chem., 281, 2006
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1DS2
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![BU of 1ds2 by Molmil](/molmil-images/mine/1ds2) | CRYSTAL STRUCTURE OF SGPB:OMTKY3-COO-LEU18I | Descriptor: | OVOMUCOID, PROTEINASE B (SGPB) | Authors: | Bateman, K.S, Huang, K, Anderson, S, Lu, W, Qasim, M.A, Laskowski Jr, M, James, M.N.G. | Deposit date: | 2000-01-06 | Release date: | 2001-01-31 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Contribution of peptide bonds to inhibitor-protease binding: crystal structures of the turkey ovomucoid third domain backbone variants OMTKY3-Pro18I and OMTKY3-psi[COO]-Leu18I in complex with Streptomyces griseus proteinase B (SGPB) and the structure of the free inhibitor, OMTKY-3-psi[CH2NH2+]-Asp19I J.Mol.Biol., 305, 2001
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2FC2
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![BU of 2fc2 by Molmil](/molmil-images/mine/2fc2) | |
4AE6
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![BU of 4ae6 by Molmil](/molmil-images/mine/4ae6) | Structure and Function of the Human Sperm-Specific Isoform of Protein Kinase A (PKA) Catalytic Subunit Calpha 2 | Descriptor: | ACETATE ION, CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA 2 | Authors: | Hereng, T.H, Backe, P.H, Kahmann, J, Scheich, C, Bjoras, M, Skalhegg, B.S, Rosendal, K.R. | Deposit date: | 2012-01-09 | Release date: | 2012-04-18 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure and Function of the Human Sperm-Specific Isoform of Protein Kinase a (Pka) Catalytic Subunit Calpha2 J.Struct.Biol., 178, 2012
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2VAI
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![BU of 2vai by Molmil](/molmil-images/mine/2vai) | Solution structure of a B-DNA hairpin at high pressure | Descriptor: | 5'-D(*AP*GP*GP*AP*TP*CP*CP*TP*UP*TP *TP*GP*GP*AP*TP*CP*CP*T)-3' | Authors: | Williamson, M.P, Wilton, D.J, Ghosh, M, Chary, K.V.A, Akasaka, K. | Deposit date: | 2007-08-31 | Release date: | 2007-09-11 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural change in a B-DNA helix with hydrostatic pressure. Nucleic Acids Res., 36, 2008
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4S1R
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![BU of 4s1r by Molmil](/molmil-images/mine/4s1r) | Crystal structure of a VRC01-lineage antibody, 45-VRC01.H08.F-117225, in complex with clade A/E HIV-1 gp120 core | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab of VRC01 light chain, Fab of VRC01-lineage antibody,45-VRC01.H08.F-117225 heavy chain, ... | Authors: | Kwon, Y.D, Yang, Y, Zhang, B, Kwong, P.D. | Deposit date: | 2015-01-14 | Release date: | 2015-04-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.214 Å) | Cite: | Maturation and Diversity of the VRC01-Antibody Lineage over 15 Years of Chronic HIV-1 Infection. Cell(Cambridge,Mass.), 161, 2015
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