5UVJ
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![BU of 5uvj by Molmil](/molmil-images/mine/5uvj) | Serial Millisecond Crystallography of Membrane and Soluble Protein Micro-crystals using Synchrotron Radiation | Descriptor: | CHLORIDE ION, Lysozyme C, SODIUM ION | Authors: | Martin-Garcia, J.M, Conrad, C.E, Nelson, G, Stander, N, Zatsepin, N.A, Zook, J, Zhu, L, Geiger, J, Chun, E, Kissick, D, Hilgart, M.C, Ogata, C, Ishchenko, A, Nagaratnam, N, Roy-Chowdhury, S, Coe, J, Subramanian, G, Schaffer, A, James, D, Ketawala, G, Venugopalan, N, Xu, S, Corcoran, S, Ferguson, D, Weierstall, U, Spence, J.C.H, Cherezov, V, Fromme, P, Fischetti, R.F, Liu, W. | Deposit date: | 2017-02-20 | Release date: | 2017-05-24 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Serial millisecond crystallography of membrane and soluble protein microcrystals using synchrotron radiation. IUCrJ, 4, 2017
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6N4Y
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![BU of 6n4y by Molmil](/molmil-images/mine/6n4y) | Metabotropic Glutamate Receptor 5 Extracellular Domain with Nb43 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Metabotropic glutamate receptor 5, ... | Authors: | Koehl, A, Hu, H, Feng, D, Sun, B, Chu, M, Weis, W.I, Mathiesen, J.M, Skiniotis, G, Kobilka, B.K. | Deposit date: | 2018-11-20 | Release date: | 2019-01-23 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.262 Å) | Cite: | Structural insights into the activation of metabotropic glutamate receptors. Nature, 566, 2019
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8SNH
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![BU of 8snh by Molmil](/molmil-images/mine/8snh) | cytochrome bc1-cbb3 supercomplex from Pseudomonas aeruginosa | Descriptor: | (2R)-2-(methoxymethyl)-4-{[(25R)-spirost-5-en-3beta-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside, CALCIUM ION, COPPER (II) ION, ... | Authors: | Di Trani, J.M, Rubinstein, J.L. | Deposit date: | 2023-04-27 | Release date: | 2023-10-11 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Structure of the bc 1 - cbb 3 respiratory supercomplex from Pseudomonas aeruginosa. Proc.Natl.Acad.Sci.USA, 120, 2023
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8SMR
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![BU of 8smr by Molmil](/molmil-images/mine/8smr) | cytochrome bc1-cbb3 supercomplex from Pseudomonas aeruginosa | Descriptor: | (2R)-2-(methoxymethyl)-4-{[(25R)-spirost-5-en-3beta-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside, CALCIUM ION, COPPER (II) ION, ... | Authors: | Di Trani, J.M, Rubinstein, J.L. | Deposit date: | 2023-04-26 | Release date: | 2023-10-11 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Structure of the bc 1 - cbb 3 respiratory supercomplex from Pseudomonas aeruginosa. Proc.Natl.Acad.Sci.USA, 120, 2023
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5VX1
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![BU of 5vx1 by Molmil](/molmil-images/mine/5vx1) | Bak L100A | Descriptor: | Bcl-2 homologous antagonist/killer | Authors: | Brouwer, J.M, Colman, P.M, Czabotar, P.E. | Deposit date: | 2017-05-23 | Release date: | 2017-11-15 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.224 Å) | Cite: | Conversion of Bim-BH3 from Activator to Inhibitor of Bak through Structure-Based Design. Mol. Cell, 68, 2017
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5VZ7
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![BU of 5vz7 by Molmil](/molmil-images/mine/5vz7) | Pre-catalytic ternary complex of human Polymerase Mu (G433A) mutant with incoming nonhydrolyzable UMPNPP | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]uridine, ... | Authors: | Moon, A.F, Pryor, J.M, Ramsden, D.A, Kunkel, T.A, Bebenek, K, Pedersen, L.C. | Deposit date: | 2017-05-27 | Release date: | 2017-07-05 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.551 Å) | Cite: | Structural accommodation of ribonucleotide incorporation by the DNA repair enzyme polymerase Mu. Nucleic Acids Res., 45, 2017
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5VZD
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![BU of 5vzd by Molmil](/molmil-images/mine/5vzd) | Pre-catalytic ternary complex of human Polymerase Mu (W434A) mutant with incoming nonhydrolyzable UMPNPP | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]uridine, ... | Authors: | Moon, A.F, Pryor, J.M, Ramsden, D.A, Kunkel, T.A, Bebenek, K, Pedersen, L.C. | Deposit date: | 2017-05-27 | Release date: | 2017-07-05 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.602 Å) | Cite: | Structural accommodation of ribonucleotide incorporation by the DNA repair enzyme polymerase Mu. Nucleic Acids Res., 45, 2017
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5VRG
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![BU of 5vrg by Molmil](/molmil-images/mine/5vrg) | |
8SWZ
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![BU of 8swz by Molmil](/molmil-images/mine/8swz) | PARP4 ART domain bound to EB47 | Descriptor: | 2-[4-[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]carbonylpiperazin-1-yl]-N-(1-oxidanylidene-2,3-dihydroisoindol-4-yl)ethanamide, GLYCEROL, Protein mono-ADP-ribosyltransferase PARP4 | Authors: | Frigon, L, Pascal, J.M. | Deposit date: | 2023-05-19 | Release date: | 2023-11-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural and biochemical analysis of the PARP1-homology region of PARP4/vault PARP. Nucleic Acids Res., 51, 2023
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8SX1
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![BU of 8sx1 by Molmil](/molmil-images/mine/8sx1) | PARP4 catalytic domain | Descriptor: | Protein mono-ADP-ribosyltransferase PARP4 | Authors: | Frigon, L, Pascal, J.M. | Deposit date: | 2023-05-19 | Release date: | 2023-11-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (4.2 Å) | Cite: | Structural and biochemical analysis of the PARP1-homology region of PARP4/vault PARP. Nucleic Acids Res., 51, 2023
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8SX2
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![BU of 8sx2 by Molmil](/molmil-images/mine/8sx2) | PARP4 catalytic domain bound to EB47 | Descriptor: | 2-[4-[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]carbonylpiperazin-1-yl]-N-(1-oxidanylidene-2,3-dihydroisoindol-4-yl)ethanamide, Protein mono-ADP-ribosyltransferase PARP4 | Authors: | Frigon, L, Pascal, J.M. | Deposit date: | 2023-05-19 | Release date: | 2023-11-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Structural and biochemical analysis of the PARP1-homology region of PARP4/vault PARP. Nucleic Acids Res., 51, 2023
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8SWY
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![BU of 8swy by Molmil](/molmil-images/mine/8swy) | PARP4 ART domain bound to NADH | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, GLYCEROL, Protein mono-ADP-ribosyltransferase PARP4 | Authors: | Frigon, L, Pascal, J.M. | Deposit date: | 2023-05-19 | Release date: | 2023-11-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Structural and biochemical analysis of the PARP1-homology region of PARP4/vault PARP. Nucleic Acids Res., 51, 2023
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5VX0
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![BU of 5vx0 by Molmil](/molmil-images/mine/5vx0) | Bak in complex with Bim-h3Glg | Descriptor: | 1,2-ETHANEDIOL, Bcl-2 homologous antagonist/killer, Bcl-2-like protein 11, ... | Authors: | Brouwer, J.M, Lan, P, Lessene, G, Colman, P.M, Czabotar, P.E. | Deposit date: | 2017-05-23 | Release date: | 2017-11-15 | Last modified: | 2020-01-08 | Method: | X-RAY DIFFRACTION (1.599 Å) | Cite: | Conversion of Bim-BH3 from Activator to Inhibitor of Bak through Structure-Based Design. Mol. Cell, 68, 2017
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5VZ8
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![BU of 5vz8 by Molmil](/molmil-images/mine/5vz8) | Post-catalytic complex of human Polymerase Mu (G433A) mutant with incoming UTP | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DNA (5'-D(*CP*GP*GP*CP*AP*TP*AP*CP*G)-3'), ... | Authors: | Moon, A.F, Pryor, J.M, Ramsden, D.A, Kunkel, T.A, Bebenek, K, Pedersen, L.C. | Deposit date: | 2017-05-27 | Release date: | 2017-07-05 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.601 Å) | Cite: | Structural accommodation of ribonucleotide incorporation by the DNA repair enzyme polymerase Mu. Nucleic Acids Res., 45, 2017
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5VZE
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![BU of 5vze by Molmil](/molmil-images/mine/5vze) | Post-catalytic complex of human Polymerase Mu (W434A) mutant with incoming UTP | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DNA (5'-D(*CP*GP*GP*CP*AP*TP*AP*CP*G)-3'), ... | Authors: | Moon, A.F, Pryor, J.M, Ramsden, D.A, Kunkel, T.A, Bebenek, K, Pedersen, L.C. | Deposit date: | 2017-05-27 | Release date: | 2017-07-05 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.506 Å) | Cite: | Structural accommodation of ribonucleotide incorporation by the DNA repair enzyme polymerase Mu. Nucleic Acids Res., 45, 2017
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8SKQ
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![BU of 8skq by Molmil](/molmil-images/mine/8skq) | |
5VWZ
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![BU of 5vwz by Molmil](/molmil-images/mine/5vwz) | Bak in complex with Bim-h3Pc | Descriptor: | 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, AMMONIUM ION, Bcl-2 homologous antagonist/killer, ... | Authors: | Brouwer, J.M, Colman, P.M, Czabotar, P.E. | Deposit date: | 2017-05-23 | Release date: | 2017-11-15 | Last modified: | 2020-01-08 | Method: | X-RAY DIFFRACTION (1.622 Å) | Cite: | Conversion of Bim-BH3 from Activator to Inhibitor of Bak through Structure-Based Design. Mol. Cell, 68, 2017
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5VZS
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![BU of 5vzs by Molmil](/molmil-images/mine/5vzs) | BRD4-BD1 in complex with Cpd19 (3-(7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl)-N-methyl-1-(tetrahydro-2H-pyran-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide) | Descriptor: | 1,2-ETHANEDIOL, 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide, Bromodomain-containing protein 4 | Authors: | Murray, J.M. | Deposit date: | 2017-05-29 | Release date: | 2018-05-30 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.707 Å) | Cite: | GNE-781, A Highly Advanced Potent and Selective Bromodomain Inhibitor of CBP/P300 To be published
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6NRH
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![BU of 6nrh by Molmil](/molmil-images/mine/6nrh) | Crystal Structure of human PARP-1 ART domain bound inhibitor UTT63 | Descriptor: | 3-hydroxy-2-({4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]phenyl}methyl)-1-benzofuran-7-carboxamide, DIMETHYL SULFOXIDE, Poly [ADP-ribose] polymerase 1, ... | Authors: | Langelier, M.F, Pascal, J.M. | Deposit date: | 2019-01-23 | Release date: | 2019-08-14 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Design and Synthesis of Poly(ADP-ribose) Polymerase Inhibitors: Impact of Adenosine Pocket-Binding Motif Appendage to the 3-Oxo-2,3-dihydrobenzofuran-7-carboxamide on Potency and Selectivity. J.Med.Chem., 62, 2019
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4CCP
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![BU of 4ccp by Molmil](/molmil-images/mine/4ccp) | X-RAY STRUCTURES OF RECOMBINANT YEAST CYTOCHROME C PEROXIDASE AND THREE HEME-CLEFT MUTANTS PREPARED BY SITE-DIRECTED MUTAGENESIS | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, YEAST CYTOCHROME C PEROXIDASE | Authors: | Wang, J, Mauro, J.M, Edwards, S.L, Oatley, S.J, Fishel, L.A, Ashford, V.A, Xuong, N.-H, Kraut, J. | Deposit date: | 1990-02-28 | Release date: | 1991-07-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | X-ray structures of recombinant yeast cytochrome c peroxidase and three heme-cleft mutants prepared by site-directed mutagenesis. Biochemistry, 29, 1990
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4XQW
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![BU of 4xqw by Molmil](/molmil-images/mine/4xqw) | X-ray structure analysis of xylanase-N44E with MES at pH6.0 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Endo-1,4-beta-xylanase 2, IODIDE ION | Authors: | Wan, Q, Park, J.M, Riccardi, D.M, Hanson, L.B, Fisher, Z, Smith, J.C, Ostermann, A, Schrader, T, Graham, D.E, Coates, L, Langan, P, Kovalevsky, A.Y. | Deposit date: | 2015-01-20 | Release date: | 2015-09-23 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Direct determination of protonation states and visualization of hydrogen bonding in a glycoside hydrolase with neutron crystallography. Proc.Natl.Acad.Sci.USA, 112, 2015
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6NO8
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![BU of 6no8 by Molmil](/molmil-images/mine/6no8) | |
6NOK
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![BU of 6nok by Molmil](/molmil-images/mine/6nok) | The X-ray crystal structure of Streptococcus pneumoniae Fatty Acid Kinase (Fak) B1 protein loaded with myristic acid (C14:0) to 1.69 Angstrom resolution | Descriptor: | Fatty Acid Kinase (Fak) B1 protein, MYRISTIC ACID, SODIUM ION | Authors: | Cuypers, M.G, Gullett, J.M, Subramanian, C, White, S.W, Rock, C.O. | Deposit date: | 2019-01-16 | Release date: | 2019-08-21 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | The X-ray crystal structure of Streptococcus pneumoniae Fatty Acid Kinase (Fak) B1 protein loaded with myristic acid (C14:0) to 1.69 Angstrom resolution To Be Published
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6NRJ
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![BU of 6nrj by Molmil](/molmil-images/mine/6nrj) | Crystal Structure of human PARP-1 ART domain bound to inhibitor UTT93 | Descriptor: | (2Z)-2-[(4-{[2-(1H-benzimidazol-2-yl)ethyl]carbamoyl}phenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-7-carboxamide, DIMETHYL SULFOXIDE, Poly [ADP-ribose] polymerase 1, ... | Authors: | Langelier, M.F, Pascal, J.M. | Deposit date: | 2019-01-23 | Release date: | 2019-08-14 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Design and Synthesis of Poly(ADP-ribose) Polymerase Inhibitors: Impact of Adenosine Pocket-Binding Motif Appendage to the 3-Oxo-2,3-dihydrobenzofuran-7-carboxamide on Potency and Selectivity. J.Med.Chem., 62, 2019
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8SAJ
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![BU of 8saj by Molmil](/molmil-images/mine/8saj) | Mycobacterium phage Adjutor | Descriptor: | HNH endonuclease, Major capsid protein, gp_16 (Minor Capsid Protein) | Authors: | Podgorski, J.M, White, S.J. | Deposit date: | 2023-04-01 | Release date: | 2024-04-03 | Method: | ELECTRON MICROSCOPY (2.66 Å) | Cite: | A novel accessory protein stabilizes the capsid of two actinobacteriophages To Be Published
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