5GPY
 
 | | Crystal structure of the human TFIIE complex | | Descriptor: | General transcription factor IIE subunit 1, Transcription initiation factor IIE subunit beta, ZINC ION | | Authors: | Obita, T, Miwa, K, Kojima, R, Ohkuma, Y, Tamura, Y, Mizuguchi, M. | | Deposit date: | 2016-08-05 | | Release date: | 2016-11-02 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal Structure of Human General Transcription Factor TFIIE at Atomic Resolution
J.Mol.Biol., 428, 2016
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4YTV
 | | Crystal structure of Mdm35 | | Descriptor: | COBALT (II) ION, GLYCEROL, Mitochondrial distribution and morphology protein 35 | | Authors: | Watanabe, Y, Tamura, Y, Kawano, S, Endo, T. | | Deposit date: | 2015-03-18 | | Release date: | 2015-08-12 | | Last modified: | 2020-02-05 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Structural and mechanistic insights into phospholipid transfer by Ups1-Mdm35 in mitochondria.
Nat Commun, 6, 2015
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4YTW
 | | Crystal structure of Ups1-Mdm35 complex | | Descriptor: | Mitochondrial distribution and morphology protein 35, Protein UPS1, mitochondrial | | Authors: | Watanabe, Y, Tamura, Y, Kawano, S, Endo, T. | | Deposit date: | 2015-03-18 | | Release date: | 2015-08-12 | | Last modified: | 2020-02-05 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structural and mechanistic insights into phospholipid transfer by Ups1-Mdm35 in mitochondria.
Nat Commun, 6, 2015
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4YTX
 | | Crystal structure of Ups1-Mdm35 complex with PA | | Descriptor: | 1,2-DILAUROYL-SN-GLYCERO-3-PHOSPHATE, Mitochondrial distribution and morphology protein 35, Protein UPS1, ... | | Authors: | Watanabe, Y, Tamura, Y, Kawano, S, Endo, T. | | Deposit date: | 2015-03-18 | | Release date: | 2015-08-12 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structural and mechanistic insights into phospholipid transfer by Ups1-Mdm35 in mitochondria.
Nat Commun, 6, 2015
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7ECD
 | | Crystal structure of Tam41 from Firmicutes bacterium, complex with CTP-Mg | | Descriptor: | BROMIDE ION, CYTIDINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Kimura, K, Kawai, F, Kubota-Kawai, H, Watanabe, Y, Tamura, Y. | | Deposit date: | 2021-03-12 | | Release date: | 2022-01-19 | | Last modified: | 2022-04-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structure of Tam41 cytidine diphosphate diacylglycerol synthase from a Firmicutes bacterium.
J.Biochem., 171, 2022
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6LMI
 | | Crystal structure of HIV-1 integrase catalytic core domain in complex with 2-(tert-butoxy)-2-[3-(3,4-dihydro-2H-1-benzopyran-6-yl)-6-methanesulfonamido-2,3',4',5-tetramethyl-[1,1'-biphenyl]-4-yl]acetic acid | | Descriptor: | (2S)-2-[2-(3,4-dihydro-2H-chromen-6-yl)-4-(3,4-dimethylphenyl)-3,6-dimethyl-5-(methylsulfonylamino)phenyl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid, 1,2-ETHANEDIOL, Integrase catalytic, ... | | Authors: | Sugiyama, S, Iwaki, T, Tamura, Y, Tomita, K, Matsuoka, E, Arita, S, Seki, T, Yoshinaga, T, Kawasuji, T. | | Deposit date: | 2019-12-25 | | Release date: | 2020-09-23 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Discovery of novel integrase-LEDGF/p75 allosteric inhibitors based on a benzene scaffold.
Bioorg.Med.Chem., 28, 2020
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6LMQ
 | | Crystal structure of HIV-1 integrase catalytic core domain in complex with 2-(tert-butoxy)-2-[3-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-6-methanesulfonamido-2,3',4',5-tetramethyl-[1,1'-biphenyl]-4-yl]acetic acid | | Descriptor: | (2S)-2-[2-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-4-(3,4-dimethylphenyl)-3,6-dimethyl-5-(methylsulfonylamino)phenyl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid, Integrase catalytic, SULFATE ION, ... | | Authors: | Sugiyama, S, Iwaki, T, Tamura, Y, Tomita, K, Matsuoka, E, Arita, S, Seki, T, Yoshinaga, T, Kawasuji, T. | | Deposit date: | 2019-12-26 | | Release date: | 2020-09-23 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Discovery of novel integrase-LEDGF/p75 allosteric inhibitors based on a benzene scaffold.
Bioorg.Med.Chem., 28, 2020
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8W7D
 | | Crystal structure of EcPPAT-FR901483 complex | | Descriptor: | Amidophosphoribosyltransferase, [(1S,3S,6S,7S,8R,9S)-6-[(4-methoxyphenyl)methyl]-3-(methylamino)-7-oxidanyl-5-azatricyclo[6.3.1.0^1,5]dodecan-9-yl] dihydrogen phosphate | | Authors: | Hara, K, Hashimoto, H, Nakahara, M, Sato, M, Watanabe, K. | | Deposit date: | 2023-08-30 | | Release date: | 2023-12-13 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | Uncommon Arrangement of Self-resistance Allows Biosynthesis of de novo Purine Biosynthesis Inhibitor that Acts as an Immunosuppressor.
J.Am.Chem.Soc., 145, 2023
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8H78
 | | Crystal structure of human MMP-2 catalytic domain in complex with inhibitor | | Descriptor: | (2~{R})-2-[[4-[(4-aminocarbonylphenyl)carbonylamino]phenyl]sulfonylamino]-5-[(2~{S},4~{S})-4-azanyl-2-[[(2~{S})-1-[[(2~{S})-1-[(5-azanyl-5-oxidanylidene-pentyl)amino]-5-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]-methyl-amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-oxidanylidene-pentanoic acid, CALCIUM ION, DIHYDROGENPHOSPHATE ION, ... | | Authors: | Kamitani, M, Takeuchi, T, Mima, M. | | Deposit date: | 2022-10-19 | | Release date: | 2023-01-18 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Discovery of TP0597850: A Selective, Chemically Stable, and Slow Tight-Binding Matrix Metalloproteinase-2 Inhibitor with a Phenylbenzamide-Pentapeptide Hybrid Scaffold.
J.Med.Chem., 66, 2023
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5H5A
 | | Mdm12 from K. lactis (1-239), Lys residues are uniformly dimethyl modified | | Descriptor: | Mitochondrial distribution and morphology protein 12, POTASSIUM ION, [(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (~{Z})-octadec-9-enoate | | Authors: | Kawano, S, Quinbara, S, Endo, T. | | Deposit date: | 2016-11-04 | | Release date: | 2017-11-08 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Structure-function insights into direct lipid transfer between membranes by Mmm1-Mdm12 of ERMES
J. Cell Biol., 217, 2018
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5H54
 | | Mdm12 from K. lactis 1-239 | | Descriptor: | Mitochondrial distribution and morphology protein 12 | | Authors: | Kawano, S, Quinbara, S, Endo, T. | | Deposit date: | 2016-11-04 | | Release date: | 2017-11-08 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structure-function insights into direct lipid transfer between membranes by Mmm1-Mdm12 of ERMES
J. Cell Biol., 217, 2018
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5H55
 | | Mdm12 from K. lactis | | Descriptor: | Mitochondrial distribution and morphology protein 12 | | Authors: | Kawano, S, Quinbara, S. | | Deposit date: | 2016-11-04 | | Release date: | 2017-11-08 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Structure-function insights into direct lipid transfer between membranes by Mmm1-Mdm12 of ERMES
J. Cell Biol., 217, 2018
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5H5C
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7WCE
 | | Crystal structure of HIV-1 integrase catalytic core domain in complex with (2S)-2-(tert-Butoxy)-2-(10-fluoro-2-(2-hydroxy-4-methylphenyl)-1,4-dimethyl-5-(methylsulfonyl)-5,6-dihydrophenanthridin-3-yl)acetic acid | | Descriptor: | (2S)-2-[10-fluoranyl-1,4-dimethyl-2-(4-methyl-2-oxidanyl-phenyl)-5-methylsulfonyl-6H-phenanthridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid, GLYCEROL, Integrase catalytic, ... | | Authors: | Taoda, Y, Sekiguchi, Y. | | Deposit date: | 2021-12-20 | | Release date: | 2022-09-07 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Discovery of tricyclic HIV-1 integrase-LEDGF/p75 allosteric inhibitors by intramolecular direct arylation reaction.
Bioorg.Med.Chem.Lett., 64, 2022
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7WXX
 | | Crystal structure of human MMP-7 in complex with inhibitor | | Descriptor: | CALCIUM ION, Matrilysin, Peptide Inhibitor, ... | | Authors: | Kamitani, M, Oka, Y, Tabuse, H. | | Deposit date: | 2022-02-15 | | Release date: | 2022-10-05 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Discovery of Highly Potent and Selective Matrix Metalloproteinase-7 Inhibitors by Hybridizing the S1' Subsite Binder with Short Peptides.
J.Med.Chem., 65, 2022
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8K5Y
 | | Crystal structure of human proMMP-9 catalytic domain in complex with inhibitor | | Descriptor: | (3-azanyl-4-fluoranyl-5,7,8,9-tetrahydropyrido[4,3-c]azepin-6-yl)-[6-(2-oxidanylpropan-2-yl)-1H-indol-2-yl]methanone, CALCIUM ION, DIHYDROGENPHOSPHATE ION, ... | | Authors: | Kamitani, M, Mima, M, Nishikawa-Shimono, R. | | Deposit date: | 2023-07-24 | | Release date: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Discovery of novel indole derivatives as potent and selective inhibitors of proMMP-9 activation.
Bioorg.Med.Chem.Lett., 97, 2023
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8K5X
 | | Crystal structure of human proMMP-9 catalytic domain in complex with inhibitor | | Descriptor: | (6-cyclopropyl-1~{H}-indol-2-yl)-(5,7,8,9-tetrahydropyrido[4,3-c]azepin-6-yl)methanone, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Kamitani, M, Mima, M, Nishikawa-Shimono, R. | | Deposit date: | 2023-07-24 | | Release date: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Discovery of novel indole derivatives as potent and selective inhibitors of proMMP-9 activation.
Bioorg.Med.Chem.Lett., 97, 2023
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8K5W
 | | Crystal structure of human proMMP-9 catalytic domain in complex with inhibitor | | Descriptor: | 2-[[5-fluoranyl-7-(methylamino)-1H-indol-2-yl]carbonyl]-N-(2-pyrrol-1-ylethyl)-3,4-dihydro-1H-isoquinoline-7-carboxamide, CALCIUM ION, DIHYDROGENPHOSPHATE ION, ... | | Authors: | Kamitani, M, Mima, M, Nishikawa-Shimono, R. | | Deposit date: | 2023-07-24 | | Release date: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery of novel indole derivatives as potent and selective inhibitors of proMMP-9 activation.
Bioorg.Med.Chem.Lett., 97, 2023
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8K5V
 | | Crystal structure of human proMMP-9 catalytic domain in complex with inhibitor | | Descriptor: | 6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl-(7-ethyl-2H-indazol-3-yl)methanone, CALCIUM ION, DIHYDROGENPHOSPHATE ION, ... | | Authors: | Kamitani, M, Mima, M, Nishikawa-Shimono, R. | | Deposit date: | 2023-07-24 | | Release date: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Discovery of novel indole derivatives as potent and selective inhibitors of proMMP-9 activation.
Bioorg.Med.Chem.Lett., 97, 2023
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1COY
 | | CRYSTAL STRUCTURE OF CHOLESTEROL OXIDASE COMPLEXED WITH A STEROID SUBSTRATE. IMPLICATIONS FOR FAD DEPENDENT ALCOHOL OXIDASES | | Descriptor: | 3-BETA-HYDROXY-5-ANDROSTEN-17-ONE, CHOLESTEROL OXIDASE, FLAVIN-ADENINE DINUCLEOTIDE | | Authors: | Li, J, Vrielink, A, Brick, P, Blow, D.M. | | Deposit date: | 1993-06-14 | | Release date: | 1993-10-31 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of cholesterol oxidase complexed with a steroid substrate: implications for flavin adenine dinucleotide dependent alcohol oxidases.
Biochemistry, 32, 1993
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7C7O
 | | Crystal structure of E.coli DNA gyrase B in complex with 6-fluoro-8-(methylamino)-2-oxo-1,2-dihydroquinoline derivative | | Descriptor: | 4-[[4-(3-azanylpropylamino)-6-fluoranyl-8-(methylamino)-2-oxidanylidene-1~{H}-quinolin-3-yl]carbonylamino]benzoic acid, DNA gyrase subunit B | | Authors: | Kamitani, M, Mima, M, Takeuchi, T, Ushiyama, F. | | Deposit date: | 2020-05-26 | | Release date: | 2020-10-14 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Lead optimization of 8-(methylamino)-2-oxo-1,2-dihydroquinolines as bacterial type II topoisomerase inhibitors.
Bioorg.Med.Chem., 28, 2020
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7C7N
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6K9Y
 | | Crystal structure of human VAT-1 | | Descriptor: | NITRATE ION, Synaptic vesicle membrane protein VAT-1 homolog | | Authors: | Watanabe, Y, Endo, T. | | Deposit date: | 2019-06-19 | | Release date: | 2020-02-12 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural basis for interorganelle phospholipid transport mediated by VAT-1.
J.Biol.Chem., 295, 2020
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3COX
 | | CRYSTAL STRUCTURE OF CHOLESTEROL OXIDASE COMPLEXED WITH A STEROID SUBSTRATE. IMPLICATIONS FOR FAD DEPENDENT ALCOHOL OXIDASES | | Descriptor: | CHOLESTEROL OXIDASE, FLAVIN-ADENINE DINUCLEOTIDE | | Authors: | Vrielink, A, Li, J, Brick, P, Blow, D.M. | | Deposit date: | 1993-06-14 | | Release date: | 1993-10-31 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of cholesterol oxidase complexed with a steroid substrate: implications for flavin adenine dinucleotide dependent alcohol oxidases.
Biochemistry, 32, 1993
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6AFB
 | | DJ-1 C106S incubated with isatin | | Descriptor: | CHLORIDE ION, DIMETHYL SULFOXIDE, ISATIN, ... | | Authors: | Caaveiro, J.M.M, Tashiro, S, Tsumoto, K. | | Deposit date: | 2018-08-08 | | Release date: | 2018-08-29 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Discovery and Optimization of Inhibitors of the Parkinson's Disease Associated Protein DJ-1.
ACS Chem. Biol., 13, 2018
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