5DXJ
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![BU of 5dxj by Molmil](/molmil-images/mine/5dxj) | Crystal structure of CARM1 and sinefungin | Descriptor: | GLYCEROL, Histone-arginine methyltransferase CARM1, SINEFUNGIN | Authors: | Boriack-Sjodin, P.A. | Deposit date: | 2015-09-23 | Release date: | 2015-11-25 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural Insights into Ternary Complex Formation of Human CARM1 with Various Substrates. Acs Chem.Biol., 11, 2016
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6RR5
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![BU of 6rr5 by Molmil](/molmil-images/mine/6rr5) | Structure of 50% reduced KpDyP | Descriptor: | GLYCEROL, Iron-dependent peroxidase, MAGNESIUM ION, ... | Authors: | Pfanzagl, V, Beale, J, Hofbauer, S. | Deposit date: | 2019-05-17 | Release date: | 2020-09-02 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | X-ray-induced photoreduction of heme metal centers rapidly induces active-site perturbations in a protein-independent manner. J.Biol.Chem., 295, 2020
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6RPD
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![BU of 6rpd by Molmil](/molmil-images/mine/6rpd) | Structure of ferrous KpDyP in complex with cyanide | Descriptor: | CYANIDE ION, GLYCEROL, Iron-dependent peroxidase, ... | Authors: | Pfanzagl, V, Beale, J, Hofbauer, S. | Deposit date: | 2019-05-14 | Release date: | 2020-09-02 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | X-ray-induced photoreduction of heme metal centers rapidly induces active-site perturbations in a protein-independent manner. J.Biol.Chem., 295, 2020
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2C5D
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![BU of 2c5d by Molmil](/molmil-images/mine/2c5d) | Structure of a minimal Gas6-Axl complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, GROWTH-ARREST-SPECIFIC PROTEIN 6 PRECURSOR, ... | Authors: | Sasaki, T, Knyazev, P.G, Clout, N.J, Cheburkin, Y, Goehring, W, Ullrich, A, Timpl, R, Hohenester, E. | Deposit date: | 2005-10-26 | Release date: | 2005-12-19 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Structural Basis for Gas6-Axl Signalling. Embo J., 25, 2006
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6RR1
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![BU of 6rr1 by Molmil](/molmil-images/mine/6rr1) | Structure of 10% reduced KpDyP | Descriptor: | GLYCEROL, Iron-dependent peroxidase, MAGNESIUM ION, ... | Authors: | Pfanzagl, V, Beale, J, Hofbauer, S. | Deposit date: | 2019-05-16 | Release date: | 2020-09-02 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | X-ray-induced photoreduction of heme metal centers rapidly induces active-site perturbations in a protein-independent manner. J.Biol.Chem., 295, 2020
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6D56
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![BU of 6d56 by Molmil](/molmil-images/mine/6d56) | Ras:SOS:Ras in complex with a small molecule activator | Descriptor: | 6-chloro-2-(2,6-diazaspiro[3.3]heptan-2-yl)-4-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-1H-benzimidazole, FORMIC ACID, GLYCEROL, ... | Authors: | Phan, J, Hodges, T, Fesik, S.W. | Deposit date: | 2018-04-19 | Release date: | 2018-09-19 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Discovery and Structure-Based Optimization of Benzimidazole-Derived Activators of SOS1-Mediated Nucleotide Exchange on RAS. J. Med. Chem., 61, 2018
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6RWV
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![BU of 6rwv by Molmil](/molmil-images/mine/6rwv) | Structure of apo-LmCpfC | Descriptor: | Ferrochelatase, GLYCEROL, PHOSPHATE ION, ... | Authors: | Hofbauer, S, Helm, J, Djinovic-Carugo, K, Furtmueller, P.G. | Deposit date: | 2019-06-06 | Release date: | 2019-12-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6386379 Å) | Cite: | Crystal structures and calorimetry reveal catalytically relevant binding mode of coproporphyrin and coproheme in coproporphyrin ferrochelatase. Febs J., 287, 2020
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3RJM
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![BU of 3rjm by Molmil](/molmil-images/mine/3rjm) | CASPASE2 IN COMPLEX WITH CHDI LIGAND 33c | Descriptor: | Caspase-2, Peptide inhibitor (ACE)VDV(3PX)D-CHO | Authors: | Abendroth, J, Lorimer, D, Stewart, L, Maillard, M, Kiselyov, A.S. | Deposit date: | 2011-04-15 | Release date: | 2011-09-21 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Exploiting differences in caspase-2 and -3 S(2) subsites for selectivity: Structure-based design, solid-phase synthesis and in vitro activity of novel substrate-based caspase-2 inhibitors. Bioorg.Med.Chem., 19, 2011
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6RR4
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![BU of 6rr4 by Molmil](/molmil-images/mine/6rr4) | Structure of 25% reduced KpDyP | Descriptor: | GLYCEROL, Iron-dependent peroxidase, MAGNESIUM ION, ... | Authors: | Pfanzagl, V, Beale, J, Hofbauer, S. | Deposit date: | 2019-05-17 | Release date: | 2020-09-02 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | X-ray-induced photoreduction of heme metal centers rapidly induces active-site perturbations in a protein-independent manner. J.Biol.Chem., 295, 2020
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6RR8
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![BU of 6rr8 by Molmil](/molmil-images/mine/6rr8) | Structure of 100% reduced KpDyP (final wedges) | Descriptor: | GLYCEROL, Iron-dependent peroxidase, MAGNESIUM ION, ... | Authors: | Pfanzagl, V, Beale, J, Hofbauer, S. | Deposit date: | 2019-05-17 | Release date: | 2020-09-02 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | X-ray-induced photoreduction of heme metal centers rapidly induces active-site perturbations in a protein-independent manner. J.Biol.Chem., 295, 2020
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6CZV
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![BU of 6czv by Molmil](/molmil-images/mine/6czv) | BRD4(BD1) complexed with 2759 | Descriptor: | 1,2-ETHANEDIOL, 1-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridin-2(1H)-one, Bromodomain-containing protein 4 | Authors: | Lakshminarasimhan, D, White, A, Suto, R.K. | Deposit date: | 2018-04-09 | Release date: | 2018-09-26 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Design and Characterization of Novel Covalent Bromodomain and Extra-Terminal Domain (BET) Inhibitors Targeting a Methionine. J. Med. Chem., 61, 2018
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6I3U
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![BU of 6i3u by Molmil](/molmil-images/mine/6i3u) | |
6FKS
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![BU of 6fks by Molmil](/molmil-images/mine/6fks) | Crystal structure of a dye-decolorizing peroxidase from Klebsiella pneumoniae (KpDyP) | Descriptor: | GLYCEROL, Iron-dependent peroxidase, MAGNESIUM ION, ... | Authors: | Pfanzagl, V, Hofbauer, S, Mlynek, G. | Deposit date: | 2018-01-24 | Release date: | 2018-08-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.60000467 Å) | Cite: | Roles of distal aspartate and arginine of B-class dye-decolorizing peroxidase in heterolytic hydrogen peroxide cleavage. J. Biol. Chem., 293, 2018
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6FL2
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![BU of 6fl2 by Molmil](/molmil-images/mine/6fl2) | Crystal structure of a dye-decolorizing peroxidase D143A variant from Klebsiella pneumoniae (KpDyP) | Descriptor: | GLYCEROL, Iron-dependent peroxidase, MAGNESIUM ION, ... | Authors: | Pfanzagl, V, Hofbauer, S, Mlynek, G. | Deposit date: | 2018-01-25 | Release date: | 2018-08-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.270001 Å) | Cite: | Roles of distal aspartate and arginine of B-class dye-decolorizing peroxidase in heterolytic hydrogen peroxide cleavage. J. Biol. Chem., 293, 2018
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7XMC
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![BU of 7xmc by Molmil](/molmil-images/mine/7xmc) | Cryo-EM structure of Cytochrome bo3 from Escherichia coli, apo structure with DMSO | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, COPPER (II) ION, Cytochrome bo(3) ubiquinol oxidase subunit 1, ... | Authors: | Nishida, Y, Shigematsu, H, Iwamoto, T, Takashima, S, Shintani, Y. | Deposit date: | 2022-04-25 | Release date: | 2022-12-21 | Method: | ELECTRON MICROSCOPY (3.09 Å) | Cite: | Identifying antibiotics based on structural differences in the conserved allostery from mitochondrial heme-copper oxidases. Nat Commun, 13, 2022
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7XMD
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![BU of 7xmd by Molmil](/molmil-images/mine/7xmd) | Cryo-EM structure of Cytochrome bo3 from Escherichia coli, the structure complexed with an allosteric inhibitor N4 | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, COPPER (II) ION, Cytochrome bo(3) ubiquinol oxidase subunit 1, ... | Authors: | Nishida, Y, Shigematsu, H, Iwamoto, T, Takashima, S, Shintani, Y. | Deposit date: | 2022-04-25 | Release date: | 2022-12-21 | Method: | ELECTRON MICROSCOPY (2.99 Å) | Cite: | Identifying antibiotics based on structural differences in the conserved allostery from mitochondrial heme-copper oxidases. Nat Commun, 13, 2022
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7XMA
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![BU of 7xma by Molmil](/molmil-images/mine/7xma) | Crystal structure of Bovine heart cytochrome c oxidase, apo structure with DMSO | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | Authors: | Nishida, Y, Shinzawa-Itoh, K, Mizuno, N, Kumasaka, T, Yoshikawa, S, Tsukihara, T, Takashima, S, Shintani, Y. | Deposit date: | 2022-04-25 | Release date: | 2022-12-21 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Identifying antibiotics based on structural differences in the conserved allostery from mitochondrial heme-copper oxidases. Nat Commun, 13, 2022
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7XMB
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![BU of 7xmb by Molmil](/molmil-images/mine/7xmb) | Crystal structure of Bovine heart cytochrome c oxidase, the structure complexed with an allosteric inhibitor T113 | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | Authors: | Nishida, Y, Shinzawa-Itoh, K, Mizuno, N, Kumasaka, T, Yoshikawa, S, Tsukihara, T, Shintani, Y, Takashima, S. | Deposit date: | 2022-04-25 | Release date: | 2022-12-21 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Identifying antibiotics based on structural differences in the conserved allostery from mitochondrial heme-copper oxidases. Nat Commun, 13, 2022
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5CLL
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![BU of 5cll by Molmil](/molmil-images/mine/5cll) | Truncated Ran wild type in complex with GDP-BeF and RanBD1 | Descriptor: | BERYLLIUM TRIFLUORIDE ION, E3 SUMO-protein ligase RanBP2, GTP-binding nuclear protein Ran, ... | Authors: | Vetter, I.R, Brucker, S. | Deposit date: | 2015-07-16 | Release date: | 2015-09-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Catalysis of GTP Hydrolysis by Small GTPases at Atomic Detail by Integration of X-ray Crystallography, Experimental, and Theoretical IR Spectroscopy. J.Biol.Chem., 290, 2015
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3U6H
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![BU of 3u6h by Molmil](/molmil-images/mine/3u6h) | Crystal structure of c-Met in complex with pyrazolone inhibitor 26 | Descriptor: | Hepatocyte growth factor receptor, N-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-fluorophenyl}-1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide | Authors: | Bellon, S.F, Whittington, D.A, Long, A.L. | Deposit date: | 2011-10-12 | Release date: | 2012-02-22 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-based design of novel class II c-Met inhibitors: 1. Identification of pyrazolone-based derivatives. J.Med.Chem., 55, 2012
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6BL0
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![BU of 6bl0 by Molmil](/molmil-images/mine/6bl0) | Novel Modes of Inhibition of Wild-Type IDH1:Direct Covalent Modification of His315 with Cmpd11 | Descriptor: | (5aS,6S,8S,9aS)-2-(benzenecarbonyl)-6-methyl-7-oxo-9a-phenyl-4,5,5a,6,7,8,9,9a-octahydro-2H-benzo[g]indazole-8-carbonitrile, ISOCITRIC ACID, Isocitrate dehydrogenase [NADP] cytoplasmic, ... | Authors: | Jakob, C.G, Qiu, W. | Deposit date: | 2017-11-09 | Release date: | 2018-07-25 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Novel Modes of Inhibition of Wild-Type Isocitrate Dehydrogenase 1 (IDH1): Direct Covalent Modification of His315. J. Med. Chem., 61, 2018
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5CIW
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![BU of 5ciw by Molmil](/molmil-images/mine/5ciw) | Ran GDP Y39A mutant monoclinic crystal form | Descriptor: | GTP-binding nuclear protein Ran, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION | Authors: | Vetter, I.R, Brucker, S. | Deposit date: | 2015-07-13 | Release date: | 2015-09-09 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Catalysis of GTP Hydrolysis by Small GTPases at Atomic Detail by Integration of X-ray Crystallography, Experimental, and Theoretical IR Spectroscopy. J.Biol.Chem., 290, 2015
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5CIQ
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![BU of 5ciq by Molmil](/molmil-images/mine/5ciq) | Ran GDP wild type tetragonal crystal form | Descriptor: | GTP-binding nuclear protein Ran, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION | Authors: | Vetter, I.R, Brucker, S. | Deposit date: | 2015-07-13 | Release date: | 2015-09-09 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Catalysis of GTP Hydrolysis by Small GTPases at Atomic Detail by Integration of X-ray Crystallography, Experimental, and Theoretical IR Spectroscopy. J.Biol.Chem., 290, 2015
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5CIT
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![BU of 5cit by Molmil](/molmil-images/mine/5cit) | Ran GDP wild type monoclinic crystal form | Descriptor: | GTP-binding nuclear protein Ran, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION | Authors: | Vetter, I.R, Brucker, S. | Deposit date: | 2015-07-13 | Release date: | 2015-09-09 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Catalysis of GTP Hydrolysis by Small GTPases at Atomic Detail by Integration of X-ray Crystallography, Experimental, and Theoretical IR Spectroscopy. J.Biol.Chem., 290, 2015
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6FIY
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![BU of 6fiy by Molmil](/molmil-images/mine/6fiy) | Crystal structure of a dye-decolorizing peroxidase D143AR232A variant from Klebsiella pneumoniae (KpDyP) | Descriptor: | GLYCEROL, Iron-dependent peroxidase, MAGNESIUM ION, ... | Authors: | Pfanzagl, V, Hofbauer, S, Mlynek, G. | Deposit date: | 2018-01-19 | Release date: | 2018-08-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.09000432 Å) | Cite: | Roles of distal aspartate and arginine of B-class dye-decolorizing peroxidase in heterolytic hydrogen peroxide cleavage. J. Biol. Chem., 293, 2018
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