1TNQ
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5R5V
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![BU of 5r5v by Molmil](/molmil-images/mine/5r5v) | PanDDA analysis group deposition -- Crystal Structure of FIBRINOGEN-LIKE GLOBE DOMAIN OF HUMAN TENASCIN-C in complex with Z2856434824 | Descriptor: | 1-(4-fluorophenyl)-~{N}-[[(2~{R})-oxolan-2-yl]methyl]methanamine, Tenascin C (Hexabrachion), isoform CRA_a | Authors: | Coker, J.A, Bezerra, G.A, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Yue, W.W, Marsden, B.D. | Deposit date: | 2020-02-28 | Release date: | 2020-10-28 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | PanDDA analysis group deposition To Be Published
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4F9B
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![BU of 4f9b by Molmil](/molmil-images/mine/4f9b) | Human CDC7 kinase in complex with DBF4 and PHA767491 | Descriptor: | 2-(pyridin-4-yl)-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one, Cell division cycle 7-related protein kinase, Protein DBF4 homolog A, ... | Authors: | Hughes, S, Cherepanov, P. | Deposit date: | 2012-05-18 | Release date: | 2012-10-31 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of human CDC7 kinase in complex with its activator DBF4. Nat.Struct.Mol.Biol., 19, 2012
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1QBH
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![BU of 1qbh by Molmil](/molmil-images/mine/1qbh) | SOLUTION STRUCTURE OF A BACULOVIRAL INHIBITOR OF APOPTOSIS (IAP) REPEAT | Descriptor: | INHIBITOR OF APOPTOSIS PROTEIN (2MIHB/C-IAP-1), ZINC ION | Authors: | Hinds, M.G, Norton, R.S, Vaux, D.L, Day, C.L. | Deposit date: | 1999-04-20 | Release date: | 1999-10-20 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure of a baculoviral inhibitor of apoptosis (IAP) repeat. Nat.Struct.Biol., 6, 1999
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1DJX
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![BU of 1djx by Molmil](/molmil-images/mine/1djx) | PHOSPHOINOSITIDE-SPECIFIC PHOSPHOLIPASE C-DELTA1 FROM RAT COMPLEXED WITH INOSITOL-1,4,5-TRISPHOSPHATE | Descriptor: | ACETATE ION, CALCIUM ION, D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, ... | Authors: | Essen, L.-O, Perisic, O, Williams, R.L. | Deposit date: | 1996-08-24 | Release date: | 1997-07-07 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural mapping of the catalytic mechanism for a mammalian phosphoinositide-specific phospholipase C. Biochemistry, 36, 1997
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2LTK
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![BU of 2ltk by Molmil](/molmil-images/mine/2ltk) | Solution structure of a monomeric truncated mutant of Trypanosoma brucei 1-C-Grx1 | Descriptor: | Mono-cysteine glutaredoxin | Authors: | Pavan, C, Gesiot, L, Sturlese, M, Mammi, S, Manta, B, Comini, M, Bellanda, M. | Deposit date: | 2012-05-29 | Release date: | 2013-05-08 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Iron-Sulfur Cluster Binding by Mitochondrial Monothiol Glutaredoxin-1 of Trypanosoma brucei: Molecular Basis of Iron-Sulfur Cluster Coordination and Relevance for Parasite Infectivity. Antioxid Redox Signal, 19, 2013
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5XRA
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![BU of 5xra by Molmil](/molmil-images/mine/5xra) | Crystal structure of the human CB1 in complex with agonist AM11542 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (6aR,10aR)-3-(8-bromanyl-2-methyl-octan-2-yl)-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol, CHOLESTEROL, ... | Authors: | Hua, T, Vemuri, K, Nikas, P.S, Laprairie, R.B, Wu, Y, Qu, L, Pu, M, Korde, A, Shan, J, Ho, J.H, Han, G.W, Ding, K, Li, X, Liu, H, Hanson, M.A, Zhao, S, Bohn, L.M, Makriyannis, A, Stevens, R.C, Liu, Z.J. | Deposit date: | 2017-06-08 | Release date: | 2017-07-12 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structures of agonist-bound human cannabinoid receptor CB1 Nature, 547, 2017
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5R5W
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![BU of 5r5w by Molmil](/molmil-images/mine/5r5w) | PanDDA analysis group deposition -- Crystal Structure of FIBRINOGEN-LIKE GLOBE DOMAIN OF HUMAN TENASCIN-C in complex with Z2856434942 | Descriptor: | Tenascin C (Hexabrachion), isoform CRA_a, ~{N}-(4-fluorophenyl)-2-pyrrolidin-1-yl-ethanamide | Authors: | Coker, J.A, Bezerra, G.A, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Yue, W.W, Marsden, B.D. | Deposit date: | 2020-02-28 | Release date: | 2020-10-28 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | PanDDA analysis group deposition To Be Published
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5R62
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![BU of 5r62 by Molmil](/molmil-images/mine/5r62) | PanDDA analysis group deposition -- Crystal Structure of FIBRINOGEN-LIKE GLOBE DOMAIN OF HUMAN TENASCIN-C in complex with Z2856434840 | Descriptor: | 4-(4-methylpiperazin-1-yl)benzonitrile, Tenascin C (Hexabrachion), isoform CRA_a | Authors: | Coker, J.A, Bezerra, G.A, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Yue, W.W, Marsden, B.D. | Deposit date: | 2020-02-28 | Release date: | 2020-10-28 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | PanDDA analysis group deposition To Be Published
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1DSE
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![BU of 1dse by Molmil](/molmil-images/mine/1dse) | CYTOCHROME C PEROXIDASE H175G MUTANT, IMIDAZOLE COMPLEX, WITH PHOSPHATE BOUND, PH 6, 100K | Descriptor: | CYTOCHROME C PEROXIDASE, IMIDAZOLE, PHOSPHATE ION, ... | Authors: | Hirst, J, Wilcox, S.K, Williams, P.A, McRee, D.E, Goodin, D.B. | Deposit date: | 2000-01-07 | Release date: | 2001-03-07 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Replacement of the axial histidine ligand with imidazole in cytochrome c peroxidase. 1. Effects on structure. Biochemistry, 40, 2001
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1DSO
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![BU of 1dso by Molmil](/molmil-images/mine/1dso) | CYTOCHROME C PEROXIDASE H175G MUTANT, IMIDAZOLE COMPLEX AT PH 6, ROOM TEMPERATURE. | Descriptor: | CYTOCHROME C PEROXIDASE, IMIDAZOLE, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Hirst, J, Wilcox, S.K, Williams, P.A, McRee, D.E, Goodin, D.B. | Deposit date: | 2000-01-07 | Release date: | 2001-03-07 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Replacement of the axial histidine ligand with imidazole in cytochrome c peroxidase. 1. Effects on structure. Biochemistry, 40, 2001
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4AJG
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![BU of 4ajg by Molmil](/molmil-images/mine/4ajg) | Identification and structural characterization of PDE10 fragment inhibitors | Descriptor: | CAMP AND CAMP-INHIBITED CGMP 3', 5'-CYCLIC PHOSPHODIESTERASE 10A, MAGNESIUM ION, ... | Authors: | Johansson, P, Albert, J.S, Spadola, L, Akerud, T, Back, E, Hillertz, P, Horsefeld, R, Scott, C, Spear, N, Tian, G, Tigerstrom, A, Aharony, D, Geschwindner, S. | Deposit date: | 2012-02-16 | Release date: | 2013-03-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Identification and Structural Characterization of Pde10 Fragment Inhibitors To be Published
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3O85
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![BU of 3o85 by Molmil](/molmil-images/mine/3o85) | Giardia lamblia 15.5kD RNA binding protein | Descriptor: | Ribosomal protein L7Ae | Authors: | Biswas, S, Maxwell, E.S. | Deposit date: | 2010-08-02 | Release date: | 2011-03-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.806 Å) | Cite: | Comparative analysis of the 15.5kD box C/D snoRNP core protein in the primitive eukaryote Giardia lamblia reveals unique structural and functional features. Biochemistry, 50, 2011
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6J8F
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![BU of 6j8f by Molmil](/molmil-images/mine/6j8f) | Crystal structure of SVBP-VASH1 with peptide mimic the C-terminal of alpha-tubulin | Descriptor: | 8-mer peptide, Small vasohibin-binding protein, Tubulinyl-Tyr carboxypeptidase 1 | Authors: | Liao, S, Gao, J, Xu, C, Structural Genomics Consortium (SGC) | Deposit date: | 2019-01-18 | Release date: | 2019-06-19 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.283 Å) | Cite: | Molecular basis of vasohibins-mediated detyrosination and its impact on spindle function and mitosis. Cell Res., 29, 2019
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2OZ1
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![BU of 2oz1 by Molmil](/molmil-images/mine/2oz1) | |
1DSL
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![BU of 1dsl by Molmil](/molmil-images/mine/1dsl) | GAMMA B CRYSTALLIN C-TERMINAL DOMAIN | Descriptor: | GAMMA B CRYSTALLIN | Authors: | Norledge, B.V, Mayr, E.-M, Glockshuber, R, Bateman, O.A, Slingsby, C, Jaenicke, R, Driessen, H.P.C. | Deposit date: | 1996-02-01 | Release date: | 1996-07-11 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | The X-ray structures of two mutant crystallin domains shed light on the evolution of multi-domain proteins. Nat.Struct.Biol., 3, 1996
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4CDE
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![BU of 4cde by Molmil](/molmil-images/mine/4cde) | Human DPP1 in complex with 4-amino-N-((1S)-1-cyano-2-(4-(4- cyanophenyl)phenyl)ethyl)tetrahydropyran-4-carboxamide | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-AZANYL-N-[(2S)-1-AZANYLIDENE-3-[4-(4-CYANOPHENYL)PHENYL]PROPAN-2-YL]OXANE-4-CARBOXAMIDE, CHLORIDE ION, ... | Authors: | Debreczeni, J, Edman, K, Furber, M, Tiden, A, Gardiner, P, Mete, T, Ford, R, Millichip, I, Stein, L, Mather, A, Kinchin, E, Luckhurst, C, Cage, P, Sanghanee, H, Breed, J, Wissler, L. | Deposit date: | 2013-10-31 | Release date: | 2014-03-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Cathepsin C Inhibitors: Property Optimization and Identification of a Clinical Candidate. J.Med.Chem., 57, 2014
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1LUW
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![BU of 1luw by Molmil](/molmil-images/mine/1luw) | CATALYTIC AND STRUCTURAL EFFECTS OF AMINO-ACID SUBSTITUTION AT HIS 30 IN HUMAN MANGANESE SUPEROXIDE DISMUTASE: INSERTION OF VAL CGAMMA INTO THE SUBSTRATE ACCESS CHANNEL | Descriptor: | MANGANESE (II) ION, SULFATE ION, Superoxide dismutase [Mn] | Authors: | Hearn, A.S, Stroupe, M.E, Ramilo, C.A, Luba, J.P, Cabelli, D.E, Tainer, J.A, Silverman, D.N. | Deposit date: | 2002-05-23 | Release date: | 2002-06-19 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Catalytic and structural effects of amino acid substitution at histidine 30 in human manganese superoxide dismutase: insertion of valine C gamma into the substrate access channel Biochemistry, 42, 2003
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2K2I
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![BU of 2k2i by Molmil](/molmil-images/mine/2k2i) | NMR Solution structure of the C-terminal domain (T94-Y172) of the human centrin 2 in complex with a repeat sequence of human Sfi1 (R641-T660) | Descriptor: | Centrin-2, SFI1 peptide | Authors: | Martinez-Sanz, J, Assairi, L, Blouquit, Y, Duchambon, P, Mouawad, L, Craescu, C. | Deposit date: | 2008-04-02 | Release date: | 2009-02-17 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Structure, dynamics and thermodynamics of the human centrin 2/hSfi1 complex J.Mol.Biol., 395, 2010
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5R5U
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![BU of 5r5u by Molmil](/molmil-images/mine/5r5u) | PanDDA analysis group deposition -- Crystal Structure of FIBRINOGEN-LIKE GLOBE DOMAIN OF HUMAN TENASCIN-C in complex with Z1545312521 | Descriptor: | (2S)-N-(3-chloro-2-methylphenyl)oxolane-2-carboxamide, Tenascin C (Hexabrachion), isoform CRA_a | Authors: | Coker, J.A, Bezerra, G.A, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Yue, W.W, Marsden, B.D. | Deposit date: | 2020-02-28 | Release date: | 2020-10-28 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | PanDDA analysis group deposition To Be Published
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1DW2
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![BU of 1dw2 by Molmil](/molmil-images/mine/1dw2) | STRUCTURE OF THE NITRIC OXIDE COMPLEX OF REDUCED SHP, AN OXYGEN BINDING CYTOCHROME C | Descriptor: | CYTOCHROME C, NITRIC OXIDE, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Leys, D, Backers, K, Meyer, T.E, Hagen, W.R, Cusanovich, M.A, Van Beeumen, J.J. | Deposit date: | 2000-01-24 | Release date: | 2000-06-28 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structures of an oxygen-binding cytochrome c from Rhodobacter sphaeroides. J.Biol.Chem., 275, 2000
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4CDD
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![BU of 4cdd by Molmil](/molmil-images/mine/4cdd) | Human DPP1 in complex with (2S)-N-((1S)-1-cyano-2-(4-(4-cyanophenyl) phenyl)ethyl)piperidine-2-carboxamide | Descriptor: | (2S)-N-[(2S)-1-AZANYLIDENE-3-[4-(4-CYANOPHENYL)PHENYL]PROPAN-2-YL]PIPERIDINE-2-CARBOXAMIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Debreczeni, J, Edman, K, Furber, M, Tiden, A, Gardiner, P, Mete, T, Ford, R, Millichip, I, Stein, L, Mather, A, Kinchin, E, Luckhurst, C, Cage, P, Sanghanee, H, Breed, J, Wissler, L. | Deposit date: | 2013-10-31 | Release date: | 2014-03-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Cathepsin C Inhibitors: Property Optimization and Identification of a Clinical Candidate. J.Med.Chem., 57, 2014
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1DS4
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![BU of 1ds4 by Molmil](/molmil-images/mine/1ds4) | CYTOCHROME C PEROXIDASE H175G MUTANT, IMIDAZOLE COMPLEX, PH 6, 100K | Descriptor: | CYTOCHROME C PEROXIDASE, IMIDAZOLE, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Hirst, J, Wilcox, S.K, Williams, P.A, McRee, D.E, Goodin, D.B. | Deposit date: | 2000-01-07 | Release date: | 2001-03-07 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Replacement of the axial histidine ligand with imidazole in cytochrome c peroxidase. 1. Effects on structure. Biochemistry, 40, 2001
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5R60
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![BU of 5r60 by Molmil](/molmil-images/mine/5r60) | PanDDA analysis group deposition -- Crystal Structure of FIBRINOGEN-LIKE GLOBE DOMAIN OF HUMAN TENASCIN-C in complex with Z19735067 | Descriptor: | 2-(4-fluorophenoxy)-1-(1H-pyrrol-1-yl)ethan-1-one, Tenascin C (Hexabrachion), isoform CRA_a | Authors: | Coker, J.A, Bezerra, G.A, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Yue, W.W, Marsden, B.D. | Deposit date: | 2020-02-28 | Release date: | 2020-10-28 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | PanDDA analysis group deposition To Be Published
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1HXN
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![BU of 1hxn by Molmil](/molmil-images/mine/1hxn) | |