1T8I
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![BU of 1t8i by Molmil](/molmil-images/mine/1t8i) | Human DNA Topoisomerase I (70 Kda) In Complex With The Poison Camptothecin and Covalent Complex With A 22 Base Pair DNA Duplex | Descriptor: | 4-ETHYL-4-HYDROXY-1,12-DIHYDRO-4H-2-OXA-6,12A-DIAZA-DIBENZO[B,H]FLUORENE-3,13-DIONE, 5'-D(*(TGP)P*GP*AP*AP*AP*AP*AP*TP*TP*TP*TP*T)-3', 5'-D(*AP*AP*AP*AP*AP*GP*AP*CP*TP*T)-3', ... | Authors: | Staker, B.L, Feese, M.D, Cushman, M, Pommier, Y, Zembower, D, Stewart, L, Burgin, A.B. | Deposit date: | 2004-05-12 | Release date: | 2005-05-31 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structures of three classes of anticancer agents bound to the human topoisomerase I-DNA covalent complex J.Med.Chem., 48, 2005
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1W0V
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![BU of 1w0v by Molmil](/molmil-images/mine/1w0v) | Crystal Structure Of HLA-B*2705 Complexed With the self-Peptide TIS from EGF-response factor 1 | Descriptor: | BETA-2-MICROGLOBULIN, BUTYRATE RESPONSE FACTOR 2, GLYCEROL, ... | Authors: | Hulsmeyer, M, Fiorillo, M.T, Bettosini, F, Sorrentino, R, Saenger, W, Ziegler, A, Uchanska-Ziegler, B. | Deposit date: | 2004-06-14 | Release date: | 2005-03-07 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Thermodynamic and Structural Equivalence of Two Hla-B27 Subtypes Complexed with a Self-Peptide J.Mol.Biol., 346, 2005
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1VZZ
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![BU of 1vzz by Molmil](/molmil-images/mine/1vzz) | |
1W02
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![BU of 1w02 by Molmil](/molmil-images/mine/1w02) | |
1M6O
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![BU of 1m6o by Molmil](/molmil-images/mine/1m6o) | Crystal Structure of HLA B*4402 in complex with HLA DPA*0201 peptide | Descriptor: | Beta-2-microglobulin, HLA DPA*0201 peptide, HLA class I histocompatibility antigen, ... | Authors: | Macdonald, W.A, Purcell, A.W, Williams, D.S, Mifsud, N.A, Ely, L.K, Gorman, J.J, Clements, C.S, Kjer-Nielsen, L, Koelle, D.M, Brooks, A.G, Lovrecz, G.O, Lu, L, Rossjohn, J, McCluskey, J. | Deposit date: | 2002-07-17 | Release date: | 2003-09-02 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | A naturally selected dimorphism within the HLA-B44 supertype alters class I structure, peptide repertoire, and T cell recognition. J.Exp.Med., 198, 2003
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3MGW
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![BU of 3mgw by Molmil](/molmil-images/mine/3mgw) | Thermodynamics and structure of a salmon cold-active goose-type lysozyme | Descriptor: | COBALT (II) ION, Lysozyme g, SULFATE ION | Authors: | Kyomuhendo, P, Myrnes, B, Brandsdal, B.O, Smalas, A.O, Nilsen, I.W, Helland, R. | Deposit date: | 2010-04-07 | Release date: | 2010-05-05 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Thermodynamics and structure of a salmon cold active goose-type lysozyme Comp.Biochem.Physiol. B: Biochem.Mol.Biol., 156, 2010
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6I0Q
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![BU of 6i0q by Molmil](/molmil-images/mine/6i0q) | |
1N2R
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![BU of 1n2r by Molmil](/molmil-images/mine/1n2r) | A natural selected dimorphism in HLA B*44 alters self, peptide reportoire and T cell recognition. | Descriptor: | ACETIC ACID, Beta-2-microglobulin, HLA DPA*0201 PEPTIDE, ... | Authors: | Macdonald, W.A, Purcell, A.W, Williams, D.S, Mifsud, N, Ely, L.K, Gorman, J.J, Clements, C.S, Kjer-Nielsen, L, Koelle, D.M, Brooks, A.G, Lovrecz, G.O, Lu, L, Rossjohn, J, McCluskey, J. | Deposit date: | 2002-10-24 | Release date: | 2004-03-16 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | A naturally selected dimorphism within the HLA-B44 supertype alters class I structure, peptide repertoire, and T cell recognition. J.Exp.Med., 198, 2003
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7V6D
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![BU of 7v6d by Molmil](/molmil-images/mine/7v6d) | Structure of lipase B from Lasiodiplodia theobromae | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Lipase B | Authors: | Xue, B, Zhang, H.F, Nguyen, G.K.T, Yew, W.S. | Deposit date: | 2021-08-20 | Release date: | 2021-10-13 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | A Novel Lipase from Lasiodiplodia theobromae Efficiently Hydrolyses C8-C10 Methyl Esters for the Preparation of Medium-Chain Triglycerides' Precursors. Int J Mol Sci, 22, 2021
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7H8I
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![BU of 7h8i by Molmil](/molmil-images/mine/7h8i) | Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z362772344 (CHIKV_MacB-x1194) | Descriptor: | 1,4,6-trimethyl-1,2-dihydro-3H-pyrazolo[3,4-b]pyridin-3-one, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | Authors: | Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Balcomb, B.H, Capkin, E, Chandran, A.V, Dolci, I, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Oliva, G, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F. | Deposit date: | 2024-04-26 | Release date: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain To Be Published
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4KV4
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![BU of 4kv4 by Molmil](/molmil-images/mine/4kv4) | Brd4 Bromodomain 2 in Complex with Acetylated Rel Peptide | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Bromodomain-containing protein 4, Rel Peptide | Authors: | Zhang, H, Nair, S.K. | Deposit date: | 2013-05-22 | Release date: | 2013-06-26 | Last modified: | 2014-05-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Brd4 maintains constitutively active NF-kappa B in cancer cells by binding to acetylated RelA. Oncogene, 33, 2014
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7H8Q
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![BU of 7h8q by Molmil](/molmil-images/mine/7h8q) | Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1079133092 (CHIKV_MacB-x1278) | Descriptor: | 1H-PYRROLO[2,3-B]PYRIDINE-3-CARBOXYLIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | Authors: | Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Balcomb, B.H, Capkin, E, Chandran, A.V, Dolci, I, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Oliva, G, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F. | Deposit date: | 2024-04-26 | Release date: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain To Be Published
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7H98
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![BU of 7h98 by Molmil](/molmil-images/mine/7h98) | Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z271099378 (CHIKV_MacB-x1402) | Descriptor: | 1H-PYRROLO[2,3-B]PYRIDINE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | Authors: | Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Balcomb, B.H, Capkin, E, Chandran, A.V, Dolci, I, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Oliva, G, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F. | Deposit date: | 2024-04-26 | Release date: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain To Be Published
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3IKF
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![BU of 3ikf by Molmil](/molmil-images/mine/3ikf) | Crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase from Burkholderia pseudomallei with FOL fragment 717, imidazo[2,,1-b][1,3]thiazol-6-ylmethanol | Descriptor: | 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, ACETATE ION, CHLORIDE ION, ... | Authors: | Seattle Structural Genomics Center for Infectious Disease (SSGCID) | Deposit date: | 2009-08-05 | Release date: | 2009-08-18 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Leveraging structure determination with fragment screening for infectious disease drug targets: MECP synthase from Burkholderia pseudomallei. J Struct Funct Genomics, 12, 2011
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6KYC
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![BU of 6kyc by Molmil](/molmil-images/mine/6kyc) | Structure of the S207A mutant of Clostridium difficile sortase B | Descriptor: | Putative peptidase C60B, sortase B | Authors: | Kang, C.Y, Huang, I.H, Wu, T.Y, Chang, J.C, Hsiao, Y.Y, Cheng, C.H, Tsai, W.J, Hsu, K.C, Wang, S.Y. | Deposit date: | 2019-09-17 | Release date: | 2020-02-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.604 Å) | Cite: | Functional analysis ofClostridium difficilesortase B reveals key residues for catalytic activity and substrate specificity. J.Biol.Chem., 295, 2020
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4D9S
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![BU of 4d9s by Molmil](/molmil-images/mine/4d9s) | Crystal structure of Arabidopsis thaliana UVR8 (UV Resistance locus 8) | Descriptor: | UVB-resistance protein UVR8 | Authors: | Arvai, A.S, Christie, J.M, Pratt, A.J, Hitomi, K, Getzoff, E.D. | Deposit date: | 2012-01-11 | Release date: | 2012-04-04 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.701 Å) | Cite: | Plant UVR8 Photoreceptor Senses UV-B by Tryptophan-Mediated Disruption of Cross-Dimer Salt Bridges. Science, 335, 2012
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6E60
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![BU of 6e60 by Molmil](/molmil-images/mine/6e60) | Bacteroides ovatus mixed-linkage glucan utilization locus (MLGUL) SGBP-A | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, mixed-linkage glucan utilization locus (MLGUL) SGBP-B | Authors: | Tamura, K, Gardill, B.R, Brumer, H, Van Petegem, F. | Deposit date: | 2018-07-23 | Release date: | 2019-05-15 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Surface glycan-binding proteins are essential for cereal beta-glucan utilization by the human gut symbiont Bacteroides ovatus. Cell.Mol.Life Sci., 76, 2019
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6ISL
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![BU of 6isl by Molmil](/molmil-images/mine/6isl) | SnoaL-like cyclase XimE with its product xiamenmycin B | Descriptor: | (2R,3S)-2-methyl-2-(4-methylpent-3-enyl)-3-oxidanyl-3,4-dihydrochromene-6-carboxylic acid, XimE, SnoaL-like domain protein | Authors: | He, B, Zhou, T, Bu, X, Weng, J, Xu, J, Lin, S, Zheng, J, Zhao, Y, Xu, M. | Deposit date: | 2018-11-16 | Release date: | 2019-11-20 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Enzymatic Pyran Formation Involved in Xiamenmycin Biosynthesis Acs Catalysis, 9, 2019
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5IVV
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![BU of 5ivv by Molmil](/molmil-images/mine/5ivv) | |
2NM1
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![BU of 2nm1 by Molmil](/molmil-images/mine/2nm1) | Structure of BoNT/B in complex with its protein receptor | Descriptor: | Botulinum neurotoxin type B, Synaptotagmin-2 | Authors: | Jin, R, Rummel, A, Binz, T, Brunger, A.T. | Deposit date: | 2006-10-20 | Release date: | 2006-12-19 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Botulinum neurotoxin B recognizes its protein receptor with high affinity and specificity. Nature, 444, 2006
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5CMF
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![BU of 5cmf by Molmil](/molmil-images/mine/5cmf) | GTA mutant with mercury - E303A | Descriptor: | Histo-blood group ABO system transferase, MERCURY (II) ION | Authors: | Gagnon, S.M.L, Blackler, R.J. | Deposit date: | 2015-07-16 | Release date: | 2016-07-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Glycosyltransfer in mutants of putative catalytic residue Glu303 of the human ABO(H) A and B blood group glycosyltransferases GTA and GTB proceeds through a labile active site. Glycobiology, 27, 2017
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1OGT
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![BU of 1ogt by Molmil](/molmil-images/mine/1ogt) | CRYSTAL STRUCTURE OF HLA-B*2705 COMPLEXED WITH THE VASOACTIVE INTESTINAL PEPTIDE TYPE 1 RECEPTOR (VIPR) PEPTIDE (RESIDUES 400-408) | Descriptor: | BETA-2-MICROGLOBULIN, GLYCEROL, HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, ... | Authors: | Hulsmeyer, M, Fiorillo, M.T, Bettosini, F, Sorrentino, R, Saenger, W, Ziegler, A, Uchanska-Ziegler, B. | Deposit date: | 2003-05-13 | Release date: | 2004-01-29 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Dual, HLA-B27 subtype-dependent conformation of a self-peptide. J. Exp. Med., 199, 2004
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3K37
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![BU of 3k37 by Molmil](/molmil-images/mine/3k37) | Crystal Structure of B/Perth Neuraminidase in complex with Peramivir | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(1-ACETYLAMINO-2-ETHYL-BUTYL)-4-GUANIDINO-2-HYDROXY-CYCLOPENTANECARBOXYLIC ACID, CALCIUM ION, ... | Authors: | Oakley, A.J, McKimm-Breschkin, J.L. | Deposit date: | 2009-10-02 | Release date: | 2010-09-01 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural and Functional Basis of Resistance to Neuraminidase Inhibitors of Influenza B Viruses. J.Med.Chem., 2010
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5CMG
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![BU of 5cmg by Molmil](/molmil-images/mine/5cmg) | GTA mutant with mercury- E303C | Descriptor: | Histo-blood group ABO system transferase, MERCURY (II) ION | Authors: | Gagnon, S.M, Blackler, R.J. | Deposit date: | 2015-07-16 | Release date: | 2016-07-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Glycosyltransfer in mutants of putative catalytic residue Glu303 of the human ABO(H) A and B blood group glycosyltransferases GTA and GTB proceeds through a labile active site. Glycobiology, 27, 2017
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5CMJ
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![BU of 5cmj by Molmil](/molmil-images/mine/5cmj) | GTA mutant with mercury - E303Q | Descriptor: | Histo-blood group ABO system transferase, MERCURY (II) ION | Authors: | Gagnon, S.M.L, Blackler, R.J. | Deposit date: | 2015-07-16 | Release date: | 2016-07-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Glycosyltransfer in mutants of putative catalytic residue Glu303 of the human ABO(H) A and B blood group glycosyltransferases GTA and GTB proceeds through a labile active site. Glycobiology, 27, 2017
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