5VVK
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![BU of 5vvk by Molmil](/molmil-images/mine/5vvk) | Cas1-Cas2 bound to full-site mimic | Descriptor: | CRISPR-associated endonuclease Cas1, CRISPR-associated endoribonuclease Cas2, DNA (5'-D(*GP*AP*CP*CP*AP*CP*CP*AP*GP*TP*G)-3'), ... | Authors: | Wright, A.V, Knott, G.J, Doxzen, K.D, Doudna, J.A. | Deposit date: | 2017-05-19 | Release date: | 2017-08-02 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structures of the CRISPR genome integration complex. Science, 357, 2017
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1DXD
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![BU of 1dxd by Molmil](/molmil-images/mine/1dxd) | Photolyzed CO complex of Myoglobin Mb-YQR at 20K | Descriptor: | CARBON MONOXIDE, MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Brunori, M, Vallone, B, Cutruzzola, F, Travaglini-Allocatelli, C, Berendzen, J, Chu, K, Sweet, R.M, Schlichting, I. | Deposit date: | 2000-01-03 | Release date: | 2000-03-27 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | The Role of Cavities in Protein Dynamics: Crystal Structure of a Photolytic Intermediate of a Mutant Myoglobin. Proc.Natl.Acad.Sci.USA, 97, 2000
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3LB3
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![BU of 3lb3 by Molmil](/molmil-images/mine/3lb3) | Two-site competitive inhibition in dehaloperoxidase-hemoglobin | Descriptor: | 4-chlorophenol, Dehaloperoxidase A, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | de Serrano, V.S, Franzen, S, Thompson, M.K, Davis, M.F, Nicoletti, F.P, Howes, B.D, Smulevich, G. | Deposit date: | 2010-01-07 | Release date: | 2010-11-24 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Internal binding of halogenated phenols in dehaloperoxidase-hemoglobin inhibits peroxidase function. Biophys.J., 99, 2010
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3LYI
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![BU of 3lyi by Molmil](/molmil-images/mine/3lyi) | PWWP Domain of Human Bromodomain-Containing Protein 1 | Descriptor: | Bromodomain-containing protein 1, CYSTEINESULFONIC ACID | Authors: | Lam, R, Zeng, H, Ni, S, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Wu, H, Structural Genomics Consortium (SGC) | Deposit date: | 2010-02-26 | Release date: | 2010-03-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural and histone binding ability characterizations of human PWWP domains. Plos One, 6, 2011
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1W7G
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![BU of 1w7g by Molmil](/molmil-images/mine/1w7g) | Alpha-thrombin complex with sulfated hirudin (residues 54-65) and L- Arginine template inhibitor CS107 | Descriptor: | HIRUDIN I, N-{(1S)-1-{[4-(3-AMINOPROPYL)PIPERAZIN-1-YL]CARBONYL}-4-[(DIAMINOMETHYLENE)AMINO]BUTYL}-3-(TRIFLUOROMETHYL)BENZENESULFONAMIDE, THROMBIN | Authors: | Remiche, J, Sauvage, E, Herman, R, Charlier, P. | Deposit date: | 2004-09-02 | Release date: | 2006-05-24 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Design, Synthesis and Evaluation of Graftable Thrombin Inhibitors for the Preparation of Blood-Compatible Polymer Materials. Org.Biomol.Chem., 3, 2005
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1DWS
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![BU of 1dws by Molmil](/molmil-images/mine/1dws) | PHOTOLYZED CARBONMONOXY MYOGLOBIN (HORSE HEART) | Descriptor: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Chu, K, Vojtechovsky, J, McMahon, B.H, Sweet, R.M, Berendzen, J, Schlichting, I. | Deposit date: | 1999-12-11 | Release date: | 2000-03-03 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Crystal Structure of a New Ligand Binding Intermediate in Wildtype Carbonmonoxy Myoglobin Nature, 403, 2000
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3MOU
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![BU of 3mou by Molmil](/molmil-images/mine/3mou) | |
1CNX
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![BU of 1cnx by Molmil](/molmil-images/mine/1cnx) | |
1CNY
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![BU of 1cny by Molmil](/molmil-images/mine/1cny) | |
4JXH
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3JZA
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![BU of 3jza by Molmil](/molmil-images/mine/3jza) | Crystal structure of human Rab1b in complex with the GEF domain of DrrA/SidM from Legionella pneumophila | Descriptor: | PHOSPHATE ION, Ras-related protein Rab-1B, Uncharacterized protein DrrA | Authors: | Schoebel, S, Oesterlin, L.K, Blankenfeldt, W, Goody, R.S, Itzen, A. | Deposit date: | 2009-09-23 | Release date: | 2010-01-19 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | RabGDI displacement by DrrA from Legionella is a consequence of its guanine nucleotide exchange activity. Mol.Cell, 36, 2009
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7NBN
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![BU of 7nbn by Molmil](/molmil-images/mine/7nbn) | Allostery through DNA drives phenotype switching | Descriptor: | AddAB promoter | Authors: | Rosenblum, G, Elad, N, Rozenberg, H, Wiggers, F, Jungwirth, J, Hofmann, H. | Deposit date: | 2021-01-27 | Release date: | 2021-04-07 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (7 Å) | Cite: | Allostery through DNA drives phenotype switching. Nat Commun, 12, 2021
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1VFR
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![BU of 1vfr by Molmil](/molmil-images/mine/1vfr) | THE MAJOR NAD(P)H:FMN OXIDOREDUCTASE FROM VIBRIO FISCHERI | Descriptor: | FLAVIN MONONUCLEOTIDE, NAD(P)H:FMN OXIDOREDUCTASE | Authors: | Koike, H, Sasaki, H, Kobori, T, Zenno, S, Saigo, K, Murphy, M.E.P, Adman, E.T, Tanokura, M. | Deposit date: | 1998-01-09 | Release date: | 1999-02-16 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | 1.8 A crystal structure of the major NAD(P)H:FMN oxidoreductase of a bioluminescent bacterium, Vibrio fischeri: overall structure, cofactor and substrate-analog binding, and comparison with related flavoproteins. J.Mol.Biol., 280, 1998
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5UKJ
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![BU of 5ukj by Molmil](/molmil-images/mine/5ukj) | The co-structure of N,N-dimethyl-4-[(6R)-6-methyl-5-(1H-pyrrolo[2,3- b]pyridin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5- a]pyrazin-3-yl]benzenesulfonamide and a rationally designed PI3K-alpha mutant that mimics ATR | Descriptor: | N,N-dimethyl-4-[(6R)-6-methyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]benzenesulfonamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Knapp, M.S, Elling, R.A, Mamo, M. | Deposit date: | 2017-01-23 | Release date: | 2017-05-10 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Rationally Designed PI3K alpha Mutants to Mimic ATR and Their Use to Understand Binding Specificity of ATR Inhibitors. J. Mol. Biol., 429, 2017
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3JZ9
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![BU of 3jz9 by Molmil](/molmil-images/mine/3jz9) | Crystal structure of the GEF domain of DrrA/SidM from Legionella pneumophila | Descriptor: | Uncharacterized protein DrrA | Authors: | Schoebel, S, Oesterlin, L.K, Blankenfeldt, W, Goody, R.S, Itzen, A. | Deposit date: | 2009-09-23 | Release date: | 2010-01-19 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | RabGDI displacement by DrrA from Legionella is a consequence of its guanine nucleotide exchange activity. Mol.Cell, 36, 2009
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5WB6
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![BU of 5wb6 by Molmil](/molmil-images/mine/5wb6) | FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(11S)-11-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-6-fluoro-2-oxo-1,3,4,10,11,13-hexahydro-2H-5,9:15,12-di(azeno)-1,13-benzodiazacycloheptadecin-18-yl]carbamate | Descriptor: | 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ... | Authors: | Sheriff, S. | Deposit date: | 2017-06-28 | Release date: | 2017-08-02 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Macrocyclic factor XIa inhibitors. Bioorg. Med. Chem. Lett., 27, 2017
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3MO8
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![BU of 3mo8 by Molmil](/molmil-images/mine/3mo8) | PWWP Domain of Human Bromodomain and PHD finger-containing protein 1 In Complex with Trimethylated H3K36 Peptide | Descriptor: | Histone H3.2 TRIMETHYLATED H3K36 PEPTIDE, Peregrin | Authors: | Lam, R, Zeng, H, Ni, S, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Wu, H, Structural Genomics Consortium (SGC) | Deposit date: | 2010-04-22 | Release date: | 2010-06-02 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Structural and Histone Binding Ability Characterizations of Human PWWP Domains. Plos One, 6, 2011
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3L42
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![BU of 3l42 by Molmil](/molmil-images/mine/3l42) | PWWP domain of human bromodomain and PHD finger containing protein 1 | Descriptor: | Peregrin, UNKNOWN ATOM OR ION | Authors: | Tempel, W, Zeng, H, Ni, S, Amaya, M.F, Dong, A, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Wu, H, Structural Genomics Consortium (SGC) | Deposit date: | 2009-12-18 | Release date: | 2010-01-12 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structural and Histone Binding Ability Characterizations of Human PWWP Domains. Plos One, 6, 2011
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5EQY
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![BU of 5eqy by Molmil](/molmil-images/mine/5eqy) | Crystal structure of choline kinase alpha-1 bound by 5-[(4-methyl-1,4-diazepan-1-yl)methyl]-2-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]benzenecarbonitrile (compound 65) | Descriptor: | 5-[(4-methyl-1,4-diazepan-1-yl)methyl]-2-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]benzenecarbonitrile, Choline kinase alpha | Authors: | Zhou, T, Zhu, X, Dalgarno, D.C. | Deposit date: | 2015-11-13 | Release date: | 2016-01-06 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Novel Small Molecule Inhibitors of Choline Kinase Identified by Fragment-Based Drug Discovery. J.Med.Chem., 59, 2016
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1MHL
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![BU of 1mhl by Molmil](/molmil-images/mine/1mhl) | CRYSTAL STRUCTURE OF HUMAN MYELOPEROXIDASE ISOFORM C CRYSTALLIZED IN SPACE GROUP P2(1) AT PH 5.5 AND 20 DEG C | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ... | Authors: | Fenna, R.E, Zeng, J, Davey, C. | Deposit date: | 1995-06-09 | Release date: | 1996-01-06 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structure of the green heme in myeloperoxidase. Arch.Biochem.Biophys., 316, 1995
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7NFV
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![BU of 7nfv by Molmil](/molmil-images/mine/7nfv) | Structure of SARS-CoV-2 Papain-like protease PLpro | Descriptor: | CHLORIDE ION, GLYCEROL, PHOSPHATE ION, ... | Authors: | Srinivasan, V, Gunther, S, Reinke, P, Werner, N, Falke, S, Brognaro, H, Ullah, N, Andaleeb, H, Perbandt, M, Alves Franca, B, Schwinzer, M, Wang, M, Sprenger, J, Lieske, J, Ginn, H, Lane, T.J, Yefanov, O, Gelisio, L, Koua, F, Saouane, S, Tolstikova, A, Groessler, M, Fleckenstein, H, Ewert, W, Trost, F, Lorenzen, K, Schubert, R, Han, H, Schmidt, C, Brings, L, Ehrt, C, Rarey, M, Galchenkova, M, Gevorkov, Y, Li, C, Perk, A, Awel, S, Hinrichs, W, Meents, A, Betzel, C. | Deposit date: | 2021-02-07 | Release date: | 2021-02-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Antiviral activity of natural phenolic compounds in complex at an allosteric site of SARS-CoV-2 papain-like protease. Commun Biol, 5, 2022
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3MYN
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![BU of 3myn by Molmil](/molmil-images/mine/3myn) | Mutation of Methionine-86 in Dehaloperoxidase-hemoglobin: Effects of the Asp-His-Fe Triad in a 3/3 Globin | Descriptor: | CYANIDE ION, Dehaloperoxidase A, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Bowden, E.F, de Serrano, V.S, D'Antonio, E.L, Franzen, S. | Deposit date: | 2010-05-10 | Release date: | 2011-04-20 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.194 Å) | Cite: | Functional consequences of the creation of an Asp-His-Fe triad in a 3/3 globin. Biochemistry, 50, 2011
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3KUN
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![BU of 3kun by Molmil](/molmil-images/mine/3kun) | X-ray structure of the metcyano form of dehaloperoxidase from amphitrite ornata: evidence for photoreductive lysis of iron-cyanide bond | Descriptor: | CYANIDE ION, Dehaloperoxidase A, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Serrano, V.S, Chen, Z, Gaff, J.F, Rose, R, Franzen, S. | Deposit date: | 2009-11-27 | Release date: | 2010-06-30 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.26 Å) | Cite: | X-ray structure of the metcyano form of dehaloperoxidase from Amphitrite ornata: evidence for photoreductive dissociation of the iron-cyanide bond. Acta Crystallogr.,Sect.D, 66, 2010
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7MNH
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![BU of 7mnh by Molmil](/molmil-images/mine/7mnh) | |
4L5M
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![BU of 4l5m by Molmil](/molmil-images/mine/4l5m) | |