1W79
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![BU of 1w79 by Molmil](/molmil-images/mine/1w79) | Crystal structure of the DD-transpeptidase-carboxypeptidase from Actinomadura R39 | Descriptor: | D-alanyl-D-alanine carboxypeptidase, MAGNESIUM ION, SULFATE ION | Authors: | Sauvage, E, Herman, R, Petrella, S, Duez, C, Frere, J.M, Charlier, P. | Deposit date: | 2004-08-31 | Release date: | 2005-06-28 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of the Actinomadura R39 DD-peptidase reveals new domains in penicillin-binding proteins. J. Biol. Chem., 280, 2005
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5G5H
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![BU of 5g5h by Molmil](/molmil-images/mine/5g5h) | Escherichia coli Periplasmic Aldehyde Oxidase R440H mutant | Descriptor: | ACETATE ION, Aldehyde oxidoreductase FAD-binding subunit PaoB, Aldehyde oxidoreductase iron-sulfur-binding subunit PaoA, ... | Authors: | Correia, M.A.S, Otrelo-Cardoso, A.R, Romao, M.J, Santos-Silva, T. | Deposit date: | 2016-05-25 | Release date: | 2016-09-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The Escherichia Coli Periplasmic Aldehyde Oxidoreductase is an Exceptional Member of the Xanthine Oxidase Family of Molybdoenzymes. Acs Chem.Biol., 11, 2016
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3LUJ
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1W49
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![BU of 1w49 by Molmil](/molmil-images/mine/1w49) | P4 protein from Bacteriophage PHI12 in complex with AMPcPP and Mg | Descriptor: | DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, MAGNESIUM ION, NTPASE P4 | Authors: | Mancini, E.J, Kainov, D.E, Grimes, J.M, Tuma, R, Bamford, D.H, Stuart, D.I. | Deposit date: | 2004-07-22 | Release date: | 2004-10-29 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Atomic Snapshots of an RNA Packaging Motor Reveal Conformational Changes Linking ATP Hydrolysis to RNA Translocation Cell(Cambridge,Mass.), 118, 2004
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1W7X
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![BU of 1w7x by Molmil](/molmil-images/mine/1w7x) | Factor7 - 413 complex | Descriptor: | (S)-[(R)-2-(4-BENZYLOXY-3-METHOXY-PHENYL)-2-(4-CARBAMIMIDOYL-PHENYLAMINO)-ACETYLAMINO]-PHENYL-ACETIC ACID, BLOOD COAGULATION FACTOR VIIA, CALCIUM ION, ... | Authors: | Ackermann, J, Alig, L, Banner, D.W, Boehm, H.-J, Groebke-Zbinden, K, Hilpert, K, Lave, T, Kuehne, H, Obst-Sander, U, Riederer, M.A, Stahl, M, Tschopp, T.B, Weber, L, Wessel, H.P. | Deposit date: | 2004-09-14 | Release date: | 2005-10-25 | Last modified: | 2017-06-28 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Selective and Orally Bioavailable Phenylglycine Tissue Factor/Factor Viia Inhibitors. Bioorg.Med.Chem.Lett., 15, 2005
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7R5I
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![BU of 7r5i by Molmil](/molmil-images/mine/7r5i) | High resolution Crystal structure of ExsFA, a Bacillus cereus spore exosporium protein | Descriptor: | CALCIUM ION, Exosporium protein, GLN-GLU-ASP-PHE-SER-SER-ASP-SER-SER-PHE-SER, ... | Authors: | Brear, P, Schack, S, Christie, G. | Deposit date: | 2022-02-10 | Release date: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.08 Å) | Cite: | Crystal structure of ExsFA, a Bacillus cereus spore exosporium protein" To Be Published
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7R4W
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![BU of 7r4w by Molmil](/molmil-images/mine/7r4w) | Single stranded DNA binding protein SSB M5 from Fervidobacterium gondwanense | Descriptor: | ACETIC ACID, PHOSPHATE ION, Single-stranded DNA-binding protein | Authors: | Hakansson, M, Svensson, L.A, Werbowy, O, Al-Karadaghi, S, Kaczorowski, T, Kaczorowska, A.K, Dorawa, S. | Deposit date: | 2022-02-09 | Release date: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Molecular characterization of a single stranded DNA binding protein from Fervidobacterium gondwanense To Be Published
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7N66
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![BU of 7n66 by Molmil](/molmil-images/mine/7n66) | BACE-1 in complex with ligand 12 | Descriptor: | Beta-secretase 1, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Shaffer, P.L. | Deposit date: | 2021-06-07 | Release date: | 2021-10-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | JNJ-67569762, A 2-Aminotetrahydropyridine-Based Selective BACE1 Inhibitor Targeting the S3 Pocket: From Discovery to Clinical Candidate. J.Med.Chem., 64, 2021
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1WBJ
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![BU of 1wbj by Molmil](/molmil-images/mine/1wbj) | wildtype tryptophan synthase complexed with glycerol phosphate | Descriptor: | PYRIDOXAL-5'-PHOSPHATE, SN-GLYCEROL-3-PHOSPHATE, SODIUM ION, ... | Authors: | Kulik, V, Weyand, M, Schlichting, I. | Deposit date: | 2004-11-01 | Release date: | 2006-05-24 | Last modified: | 2019-05-22 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | On the Structural Basis of the Catalytic Mechanism and the Regulation of the Alpha Subunit of Tryptophan Synthase from Salmonella Typhimurium and Bx1 from Maize, Two Evolutionarily Related Enzymes. J.Mol.Biol., 352, 2005
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1W18
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![BU of 1w18 by Molmil](/molmil-images/mine/1w18) | Crystal Structure of levansucrase from Gluconacetobacter diazotrophicus | Descriptor: | LEVANSUCRASE, SULFATE ION | Authors: | Martinez-Fleites, C, Ortiz-Lombardia, M, Pons, T, Tarbouriech, N, Taylor, E.J, Hernandez, L, Davies, G.J. | Deposit date: | 2004-06-16 | Release date: | 2005-05-11 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal Structure of Levansucrase from the Gram- Negative Bacterium Gluconacetobacter Diazotrophicus. Biochem.J., 390, 2005
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1WA6
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![BU of 1wa6 by Molmil](/molmil-images/mine/1wa6) | The structure of ACC oxidase | Descriptor: | 1-AMINOCYCLOPROPANE-1-CARBOXYLATE OXIDASE 1, FE (II) ION, PHOSPHATE ION, ... | Authors: | Zhang, Z, Ren, J.-S, Clifton, I.J, Schofield, C.J. | Deposit date: | 2004-10-25 | Release date: | 2005-10-26 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Crystal Structure and Mechanistic Implications of 1-Aminocyclopropane-1-Carboxylic Acid Oxidase (the Ethyling Forming Enzyme) Chem.Biol., 11, 2004
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5G6V
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![BU of 5g6v by Molmil](/molmil-images/mine/5g6v) | Crystal structure of the PCTAIRE1 kinase in complex with inhibitor | Descriptor: | 1,2-ETHANEDIOL, 4-[4-({[3-tert-butyl-1-(quinolin-6-yl)-1H-pyrazol-5-yl]carbamoyl}amino)-3-fluorophenoxy]-N-methylpyridine-2-carboxamide, CYCLIN-DEPENDENT KINASE 16 | Authors: | Dixon-Clarke, S.E, Galan Bartual, S, Elkins, J, Savitsky, P, Kopec, J, Mackenzie, A, Tallant, C, Heroven, C, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A. | Deposit date: | 2016-08-16 | Release date: | 2016-11-23 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure and inhibitor specificity of the PCTAIRE-family kinase CDK16. Biochem.J., 474, 2017
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5G4H
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![BU of 5g4h by Molmil](/molmil-images/mine/5g4h) | 1.50 A resolution catechol (1,2-dihydroxybenzene) inhibited Sporosarcina pasteurii urease | Descriptor: | 1,2-ETHANEDIOL, CATECHOL, HYDROXIDE ION, ... | Authors: | Mazzei, L, Cianci, M, Musiani, F, Ciurli, S. | Deposit date: | 2016-05-13 | Release date: | 2016-12-07 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Inactivation of Urease by Catechol: Kinetics and Structure. J.Inorg.Biochem., 166, 2016
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6E3R
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7S0Y
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![BU of 7s0y by Molmil](/molmil-images/mine/7s0y) | Structures of TcdB in complex with Cdc42 | Descriptor: | Cell division control protein 42 homolog, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Zheng, L, Rongsheng, J, Peng, C. | Deposit date: | 2021-08-31 | Release date: | 2021-09-08 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.79 Å) | Cite: | Structural basis for selective modification of Rho and Ras GTPases by Clostridioides difficile toxin B. Sci Adv, 7, 2021
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5G3W
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![BU of 5g3w by Molmil](/molmil-images/mine/5g3w) | Structure of HDAC like protein from Bordetella Alcaligenes in complex with the photoswitchable inhibitor CEW65 | Descriptor: | (2E)-N-hydroxy-3-{4-[(E)-phenyldiazenyl]phenyl}prop-2-enamide, DI(HYDROXYETHYL)ETHER, HISTONE DEACETYLASE-LIKE AMIDOHYDROLASE, ... | Authors: | Kraemer, A, Meyer-Almes, F.J, Yildiz, O. | Deposit date: | 2016-05-02 | Release date: | 2016-11-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Toward Photopharmacological Antimicrobial Chemotherapy Using Photoswitchable Amidohydrolase Inhibitors. ACS Infect Dis, 3, 2017
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7S0Z
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![BU of 7s0z by Molmil](/molmil-images/mine/7s0z) | Structures of TcdB in complex with R-Ras | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, AMMONIUM ION, ... | Authors: | Zheng, L, Rongsheng, J, Peng, C. | Deposit date: | 2021-08-31 | Release date: | 2021-09-08 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Structural basis for selective modification of Rho and Ras GTPases by Clostridioides difficile toxin B. Sci Adv, 7, 2021
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7N8K
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![BU of 7n8k by Molmil](/molmil-images/mine/7n8k) | LINE-1 endonuclease domain complex with Mg | Descriptor: | ACETATE ION, LINE-1 retrotransposable element ORF2 protein, MAGNESIUM ION, ... | Authors: | Korolev, S, Miller, I. | Deposit date: | 2021-06-15 | Release date: | 2021-10-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Structural dissection of sequence recognition and catalytic mechanism of human LINE-1 endonuclease. Nucleic Acids Res., 49, 2021
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7RZC
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![BU of 7rzc by Molmil](/molmil-images/mine/7rzc) | Papain-Like Protease of SARS CoV-2 in complex with Jun9-84-3 inhibitor | Descriptor: | (1R)-N-[(1H-indol-3-yl)methyl]-N-methyl-1-(naphthalen-1-yl)ethan-1-amine, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Osipiuk, J, Tesar, C, Endres, M, Wang, J, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2021-08-27 | Release date: | 2021-09-08 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Papain-Like Protease of SARS CoV-2 in complex with Jun9-84-3 inhibitor To be Published
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5G2Q
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![BU of 5g2q by Molmil](/molmil-images/mine/5g2q) | The crystal structure of a S-selective transaminase from Arthrobacter sp. with alanine bound | Descriptor: | 2-[(3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL)-AMINO]-PROPIONIC ACID, TRANSAMINASE | Authors: | van Oosterwijk, N, Willies, S, Hekelaar, J, Terwisscha van Scheltinga, A.C, Turner, N.J, Dijkstra, B.W. | Deposit date: | 2016-04-12 | Release date: | 2016-07-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural Basis of Substrate Range and Enantioselectivity of Two S-Selective Omega- Transaminases Biochemistry, 55, 2016
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7RTY
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7N8S
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![BU of 7n8s by Molmil](/molmil-images/mine/7n8s) | LINE-1 endonuclease domain complex with DNA | Descriptor: | DNA (5'-D(*CP*CP*TP*TP*AP*AP*AP*AP*AP*GP*GP*AP*GP*CP*T)-3'), DNA (5'-D(*GP*CP*TP*CP*CP*TP*TP*TP*TP*TP*AP*AP*GP*GP*A)-3'), LINE-1 retrotransposable element ORF2 protein | Authors: | Korolev, S, Miller, I. | Deposit date: | 2021-06-15 | Release date: | 2021-10-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.79 Å) | Cite: | Structural dissection of sequence recognition and catalytic mechanism of human LINE-1 endonuclease. Nucleic Acids Res., 49, 2021
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5G28
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![BU of 5g28 by Molmil](/molmil-images/mine/5g28) | The crystal structure of light-driven chloride pump ClR at pH 6.0. | Descriptor: | CHLORIDE ION, CHLORIDE PUMPING RHODOPSIN, OLEIC ACID, ... | Authors: | Kim, K.L, Kwon, S.K, Jun, S.H, Cha, J.S, Kim, H.Y, Kim, J.H, Cho, H.S. | Deposit date: | 2016-04-07 | Release date: | 2016-10-19 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Crystal Structure and Functional Characterization of a Light-Driven Chloride Pump Having an Ntq Motif. Nat.Commun., 7, 2016
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5G2D
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![BU of 5g2d by Molmil](/molmil-images/mine/5g2d) | The crystal structure of light-driven chloride pump ClR (T102N) mutant at pH 4.5. | Descriptor: | CHLORIDE ION, CHLORIDE PUMP RHODOPSIN, DI(HYDROXYETHYL)ETHER, ... | Authors: | Kim, K.L, Kwon, S.K, Jun, S.H, Cha, J.S, Kim, H.Y, Kim, J.H, Cho, H.S. | Deposit date: | 2016-04-07 | Release date: | 2016-10-19 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structure and Functional Characterization of a Light-Driven Chloride Pump Having an Ntq Motif. Nat.Commun., 7, 2016
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7S3W
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![BU of 7s3w by Molmil](/molmil-images/mine/7s3w) | Crystal structure of an N-acetyltransferase from Helicobacter pullorum in the presence of Coenzyme A and dTDP-3-amino-3,6-dideoxy-D-galactose | Descriptor: | (3R,4S,5R,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl][hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate, 1,2-ETHANEDIOL, N-acetyltransferase, ... | Authors: | Griffiths, W.A, Spencer, K.D, Thoden, J.B, Holden, H.M. | Deposit date: | 2021-09-08 | Release date: | 2021-09-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Biochemical investigation of an N-acetyltransferase from Helicobacter pullorum. Protein Sci., 30, 2021
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