4P32
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![BU of 4p32 by Molmil](/molmil-images/mine/4p32) | Crystal structure of E. coli LptB in complex with ADP-magnesium | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Lipopolysaccharide export system ATP-binding protein LptB, MAGNESIUM ION | Authors: | Sherman, D.J, Lazarus, M.B, Murphy, L, Liu, C, Walker, S, Ruiz, N, Kahne, D. | Deposit date: | 2014-03-05 | Release date: | 2014-03-26 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Decoupling catalytic activity from biological function of the ATPase that powers lipopolysaccharide transport. Proc.Natl.Acad.Sci.USA, 111, 2014
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4P33
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![BU of 4p33 by Molmil](/molmil-images/mine/4p33) | Crystal structure of E. coli LptB-E163Q in complex with ATP-sodium | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, Lipopolysaccharide export system ATP-binding protein LptB, ... | Authors: | Sherman, D.J, Lazarus, M.B, Murphy, L, Liu, C, Walker, S, Ruiz, N, Kahne, D. | Deposit date: | 2014-03-05 | Release date: | 2014-03-26 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Decoupling catalytic activity from biological function of the ATPase that powers lipopolysaccharide transport. Proc.Natl.Acad.Sci.USA, 111, 2014
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1YX7
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![BU of 1yx7 by Molmil](/molmil-images/mine/1yx7) | NMR structure of Calsensin, energy minimized average structure. | Descriptor: | Calsensin | Authors: | Venkitaramani, D.V, Fulton, D.B, Andreotti, A.H, Johansen, K.M, Johansen, J. | Deposit date: | 2005-02-19 | Release date: | 2005-04-01 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure and backbone dynamics of Calsensin, an invertebrate neuronal calcium-binding protein. Protein Sci., 14, 2005
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4PA0
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![BU of 4pa0 by Molmil](/molmil-images/mine/4pa0) | Omecamtiv Mercarbil binding site on the Human Beta-Cardiac Myosin Motor Domain | Descriptor: | GLYCEROL, Myosin-7,Green fluorescent protein, methyl 4-(2-fluoro-3-{[(6-methylpyridin-3-yl)carbamoyl]amino}benzyl)piperazine-1-carboxylate | Authors: | Winkelmann, D.A, Miller, M.T, Stock, A.M. | Deposit date: | 2014-04-06 | Release date: | 2015-07-08 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structural basis for drug-induced allosteric changes to human beta-cardiac myosin motor activity. Nat Commun, 6, 2015
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3MKD
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![BU of 3mkd by Molmil](/molmil-images/mine/3mkd) | Crystal structure of myosin-2 dictyostelium discoideum motor domain S456Y mutant in complex with adp-orthovanadate | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Myosin-2 heavy chain, ... | Authors: | Kathmann, D, Diensthuber, R.P, Fedorov, R, Manstein, D.J, Tsiavaliaris, G. | Deposit date: | 2010-04-14 | Release date: | 2011-04-06 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Switch-2 dependent modulation of the myosin power stroke To be Published
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3BRG
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![BU of 3brg by Molmil](/molmil-images/mine/3brg) | CSL (RBP-Jk) bound to DNA | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*DAP*DAP*DTP*DCP*DTP*DTP*DTP*DCP*DCP*DCP*DAP*DCP*DAP*DGP*DT)-3'), DNA (5'-D(*DTP*DTP*DAP*DCP*DTP*DGP*DTP*DGP*DGP*DGP*DAP*DAP*DAP*DGP*DA)-3'), ... | Authors: | Friedmann, D.R, Kovall, R.A. | Deposit date: | 2007-12-21 | Release date: | 2008-04-01 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | RAM-induced Allostery Facilitates Assembly of a Notch Pathway Active Transcription Complex. J.Biol.Chem., 283, 2008
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5K48
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![BU of 5k48 by Molmil](/molmil-images/mine/5k48) | VIM-2 Metallo Beta Lactamase in complex with 3-(mercaptomethyl)-[1,1'-biphenyl]-4-carboxylic acid | Descriptor: | 4-phenyl-2-(sulfanylmethyl)benzoic acid, Beta-lactamase VIM-2, FORMIC ACID, ... | Authors: | Zollman, D, McDonough, M, Brem, J, Schofield, C. | Deposit date: | 2016-05-20 | Release date: | 2017-06-07 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.744 Å) | Cite: | In Silico Fragment-Based Design Identifies Subfamily B1 Metallo-beta-lactamase Inhibitors. J. Med. Chem., 61, 2018
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6RM2
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![BU of 6rm2 by Molmil](/molmil-images/mine/6rm2) | Deoxyguanylosuccinate synthase (DgsS) structure with ATP, IMP, Magnesium | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Adenylosuccinate synthetase, INOSINIC ACID, ... | Authors: | Sleiman, D, Loc'h, J, Haouz, A, Kaminski, P.A. | Deposit date: | 2019-05-04 | Release date: | 2020-06-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Deoxyguanylosuccinate synthase (DgsS) quaternary structure with ATP, IMP, Magnesium at 2.5 Angstrom resolution To Be Published
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1U0C
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![BU of 1u0c by Molmil](/molmil-images/mine/1u0c) | Y33C Mutant of Homing endonuclease I-CreI | Descriptor: | 5'-D(*CP*GP*TP*AP*AP*CP*TP*GP*TP*CP*TP*CP*AP*CP*GP*AP*CP*GP*TP*TP*TP*AP*GP*C)-3', 5'-D(*GP*CP*TP*AP*AP*AP*CP*GP*TP*CP*GP*TP*GP*AP*GP*AP*CP*AP*GP*TP*TP*AP*CP*G)-3', DNA endonuclease I-CreI, ... | Authors: | Sussman, D, Chadsey, M, Fauce, S, Engel, A, Bruett, A, Monnat, R, Stoddard, B.L, Seligman, L.M. | Deposit date: | 2004-07-13 | Release date: | 2004-11-02 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Isolation and characterization of new homing endonuclease specificities at individual target site positions. J.Mol.Biol., 342, 2004
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1U0D
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![BU of 1u0d by Molmil](/molmil-images/mine/1u0d) | Y33H Mutant of Homing endonuclease I-CreI | Descriptor: | 5'-D(*CP*GP*GP*AP*AP*CP*TP*GP*TP*CP*TP*CP*AP*CP*GP*AP*CP*GP*TP*TP*TP*CP*GP*C)-3', 5'-D(*GP*CP*GP*AP*AP*AP*CP*GP*TP*CP*GP*TP*GP*AP*GP*AP*CP*AP*GP*TP*TP*CP*CP*G)-3', DNA endonuclease I-CreI | Authors: | Sussman, D, Chadsey, M, Fauce, S, Engel, A, Bruett, A, Monnat, R, Stoddard, B.L, Seligman, L.M. | Deposit date: | 2004-07-13 | Release date: | 2004-11-02 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Isolation and characterization of new homing endonuclease specificities at individual target site positions. J.Mol.Biol., 342, 2004
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6T1T
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![BU of 6t1t by Molmil](/molmil-images/mine/6t1t) | |
6TNH
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![BU of 6tnh by Molmil](/molmil-images/mine/6tnh) | Deoxyguanylosuccinate synthase (DgsS) quaternary structure with AMPPcP, dGMP, Asp, Magnesium at 2.21 Angstrom resolution | Descriptor: | 2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE, ASPARTIC ACID, Adenylosuccinate synthetase, ... | Authors: | Sleiman, D, Loc'h, J, Haouz, A, Kaminski, P.A. | Deposit date: | 2019-12-08 | Release date: | 2020-12-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | A third purine biosynthetic pathway encoded by aminoadenine-based viral DNA genomes. Science, 372, 2021
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6T1U
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![BU of 6t1u by Molmil](/molmil-images/mine/6t1u) | Cytochrome P450 reductase from Candida tropicalis | Descriptor: | FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, NADPH--cytochrome P450 reductase | Authors: | Opperman, D.J, Sewell, B.T. | Deposit date: | 2019-10-06 | Release date: | 2020-01-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Biochemical and structural insights into the cytochrome P450 reductase from Candida tropicalis. Sci Rep, 9, 2019
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1ZO0
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![BU of 1zo0 by Molmil](/molmil-images/mine/1zo0) | |
2C6H
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![BU of 2c6h by Molmil](/molmil-images/mine/2c6h) | Crystal structure of YC-17-bound cytochrome P450 PikC (CYP107L1) | Descriptor: | 4-{[4-(DIMETHYLAMINO)-3-HYDROXY-6-METHYLTETRAHYDRO-2H-PYRAN-2-YL]OXY}-12-ETHYL-3,5,7,11-TETRAMETHYLOXACYCLODODEC-9-ENE-2,8-DIONE, CYTOCHROME P450 MONOOXYGENASE, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Sherman, D.H, Li, S, Yermalitskaya, L.V, Kim, Y, Smith, J.A, Waterman, M.R, Podust, L.M. | Deposit date: | 2005-11-09 | Release date: | 2006-07-03 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | The Structural Basis for Substrate Anchoring, Active Site Selectivity, and Product Formation by P450 Pikc from Streptomyces Venezuelae. J.Biol.Chem., 281, 2006
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2C7X
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![BU of 2c7x by Molmil](/molmil-images/mine/2c7x) | Crystal structure of narbomycin-bound cytochrome P450 PikC (CYP107L1) | Descriptor: | CYTOCHROME P450 MONOOXYGENASE, NARBOMYCIN, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Sherman, D.H, Li, S, Yermalitskaya, L.V, Kim, Y, Smith, J.A, Waterman, M.R, Podust, L.M. | Deposit date: | 2005-11-29 | Release date: | 2006-07-03 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | The Structural Basis for Substrate Anchoring, Active Site Selectivity, and Product Formation by P450 Pikc from Streptomyces Venezuelae. J.Biol.Chem., 281, 2006
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2BVJ
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![BU of 2bvj by Molmil](/molmil-images/mine/2bvj) | Ligand-free structure of cytochrome P450 PikC (CYP107L1) | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, BETA-MERCAPTOETHANOL, CYTOCHROME P450 MONOOXYGENASE, ... | Authors: | Sherman, D.H, Li, S, Yermalitskaya, L.V, Kim, Y, Smith, J.A, Waterman, M.R, Podust, L.M. | Deposit date: | 2005-06-28 | Release date: | 2006-07-03 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The Structural Basis for Substrate Anchoring, Active Site Selectivity, and Product Formation by P450 Pikc from Streptomyces Venezuelae. J.Biol.Chem., 281, 2006
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7QU5
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![BU of 7qu5 by Molmil](/molmil-images/mine/7qu5) | X-ray structure of FAD domain of NqrF of Pseudomonas aeruginosa | Descriptor: | DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION, ... | Authors: | Stegmann, D, Steuber, J, Fritz, G. | Deposit date: | 2022-01-17 | Release date: | 2022-02-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Fast fragment- and compound-screening pipeline at the Swiss Light Source. Acta Crystallogr D Struct Biol, 78, 2022
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7QTY
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![BU of 7qty by Molmil](/molmil-images/mine/7qty) | X-ray structure of FAD domain of NqrF of Klebsiella pneumoniae | Descriptor: | 1-(furan-2-ylmethyl)-3-(2-methylphenyl)thiourea, DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Stegmann, D, Steuber, J, Fritz, G. | Deposit date: | 2022-01-17 | Release date: | 2022-02-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Fast fragment- and compound-screening pipeline at the Swiss Light Source. Acta Crystallogr D Struct Biol, 78, 2022
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7QU3
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![BU of 7qu3 by Molmil](/molmil-images/mine/7qu3) | X-ray structure of FAD domain of NqrF of Pseudomonas aeruginosa | Descriptor: | 4-(benzimidazol-1-ylmethyl)benzenecarbonitrile, DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Stegmann, D, Steuber, J, Fritz, G. | Deposit date: | 2022-01-17 | Release date: | 2022-02-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Fast fragment- and compound-screening pipeline at the Swiss Light Source. Acta Crystallogr D Struct Biol, 78, 2022
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7QU0
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![BU of 7qu0 by Molmil](/molmil-images/mine/7qu0) | X-ray structure of FAD domain of NqrF of Klebsiella pneumoniae | Descriptor: | DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, Na(+)-translocating NADH-quinone reductase subunit F, ... | Authors: | Stegmann, D, Steuber, J, Fritz, G. | Deposit date: | 2022-01-17 | Release date: | 2022-02-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Fast fragment- and compound-screening pipeline at the Swiss Light Source. Acta Crystallogr D Struct Biol, 78, 2022
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6HBE
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![BU of 6hbe by Molmil](/molmil-images/mine/6hbe) | |
3NG1
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![BU of 3ng1 by Molmil](/molmil-images/mine/3ng1) | N AND GTPASE DOMAINS OF THE SIGNAL SEQUENCE RECOGNITION PROTEIN FFH FROM THERMUS AQUATICUS | Descriptor: | 1,2-ETHANEDIOL, CADMIUM ION, SIGNAL SEQUENCE RECOGNITION PROTEIN FFH, ... | Authors: | Freymann, D.M, Stroud, R.M, Walter, P. | Deposit date: | 1998-09-13 | Release date: | 1999-07-30 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Functional changes in the structure of the SRP GTPase on binding GDP and Mg2+GDP. Nat.Struct.Biol., 6, 1999
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2J46
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![BU of 2j46 by Molmil](/molmil-images/mine/2j46) | Water structure of T. Aquaticus Ffh NG Domain At 1.1A Resolution | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, ACETATE ION, CHLORIDE ION, ... | Authors: | Freymann, D.M, Ramirez, U.D. | Deposit date: | 2006-08-24 | Release date: | 2006-11-30 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.14 Å) | Cite: | Analysis of Protein Hydration in Ultra-High Resolution Structures of the Srp Gtpase Ffh Acta Crystallogr.,Sect.D, 62, 2006
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7P6L
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![BU of 7p6l by Molmil](/molmil-images/mine/7p6l) | Heme domain of CYP505A30, a fungal hydroxylase from Myceliophthora thermophila, bound to dodecanoic acid | Descriptor: | Bifunctional cytochrome P450/NADPH--P450 reductase, LAURIC ACID, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Opperman, D.J, Aschenbrenner, J.C, Tolmie, C, Ebrecht, A.C. | Deposit date: | 2021-07-16 | Release date: | 2022-02-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Structure of the fungal hydroxylase, CYP505A30, and rational transfer of mutation data from CYP102A1 to alter regioselectivity Catalysis Science And Technology, 11, 2021
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