5D6P
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![BU of 5d6p by Molmil](/molmil-images/mine/5d6p) | Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a ligand | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1-ethyl-3-[4-(hydroxymethyl)-5-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]urea, DNA gyrase subunit B, ... | Authors: | Zhang, J, Yang, Q, Cross, J.B, Romero, J.A.C, Ryan, M.D, Lippa, B, Dolle, R.E, Andersen, O.A, Barker, J, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C. | Deposit date: | 2015-08-12 | Release date: | 2015-11-25 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Discovery of Azaindole Ureas as a Novel Class of Bacterial Gyrase B Inhibitors. J.Med.Chem., 58, 2015
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5D7C
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![BU of 5d7c by Molmil](/molmil-images/mine/5d7c) | Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a ligand | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1-ethyl-3-[1-(pyridin-2-yl)-6-(pyridin-3-yl)-1H-pyrrolo[3,2-b]pyridin-3-yl]urea, DNA gyrase subunit B, ... | Authors: | Zhang, J, Yang, Q, Cross, J.B, Romero, J.A.C, Ryan, M.D, Lippa, B, Dolle, R.E, Andersen, O.A, Barker, J, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C. | Deposit date: | 2015-08-13 | Release date: | 2015-11-25 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Discovery of Azaindole Ureas as a Novel Class of Bacterial Gyrase B Inhibitors. J.Med.Chem., 58, 2015
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7O5N
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![BU of 7o5n by Molmil](/molmil-images/mine/7o5n) | Crystal Structure of a Class D carbapenemase complexed with Avibactam | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, 1-BUTANOL, Beta-lactamase, ... | Authors: | Zhou, Q, Zhang, Z, He, Y, Jin, Y. | Deposit date: | 2021-04-09 | Release date: | 2022-04-20 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | An Ion-Pair Induced Intermediate Complex Captured in Class D Carbapenemase Reveals Chloride Ion as a Janus Effector Modulating Activity Acs Cent.Sci., 2023
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5S9R
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![BU of 5s9r by Molmil](/molmil-images/mine/5s9r) | CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH BMS-986158, 2-{3-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-5-[(S)-(oxan-4-yl)(phenyl)methyl]-5H-pyrido[3,2-b]indol-7-yl}propan-2-ol | Descriptor: | 1,2-ETHANEDIOL, 2-{3-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-5-[(S)-(oxan-4-yl)(phenyl)methyl]-5H-pyrido[3,2-b]indol-7-yl}propan-2-ol, Bromodomain-containing protein 4, ... | Authors: | Sheriff, S. | Deposit date: | 2021-04-01 | Release date: | 2021-09-29 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Discovery and Preclinical Pharmacology of an Oral Bromodomain and Extra-Terminal (BET) Inhibitor Using Scaffold-Hopping and Structure-Guided Drug Design. J.Med.Chem., 64, 2021
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5S9O
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![BU of 5s9o by Molmil](/molmil-images/mine/5s9o) | CRYSTAL STRUCTURE OF THE HUMAN BRD2 BD1 BROMODOMAIN IN COMPLEX WITH 9-(cyclopropylmethyl)-7-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-9H-carbazole-1-carboxamide | Descriptor: | 1,2-ETHANEDIOL, 9-(cyclopropylmethyl)-7-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-9H-carbazole-1-carboxamide, Bromodomain-containing protein 2 | Authors: | Sheriff, S. | Deposit date: | 2021-04-01 | Release date: | 2021-09-29 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Discovery and Preclinical Pharmacology of an Oral Bromodomain and Extra-Terminal (BET) Inhibitor Using Scaffold-Hopping and Structure-Guided Drug Design. J.Med.Chem., 64, 2021
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5S9P
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![BU of 5s9p by Molmil](/molmil-images/mine/5s9p) | CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH 9-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-hydroxypropan-2-yl)-9H-carbazole-4-carboxamide | Descriptor: | 1,2-ETHANEDIOL, 9-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-hydroxypropan-2-yl)-9H-carbazole-4-carboxamide, Bromodomain-containing protein 4 | Authors: | Sheriff, S. | Deposit date: | 2021-04-01 | Release date: | 2021-09-29 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Discovery and Preclinical Pharmacology of an Oral Bromodomain and Extra-Terminal (BET) Inhibitor Using Scaffold-Hopping and Structure-Guided Drug Design. J.Med.Chem., 64, 2021
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5S9Q
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![BU of 5s9q by Molmil](/molmil-images/mine/5s9q) | CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH 2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-hydroxypropan-2-yl)-9-[(S)-(oxan-4-yl)(phenyl)methyl]-9H-carbazole-4-carboxamide | Descriptor: | 1,2-ETHANEDIOL, 2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-hydroxypropan-2-yl)-9-[(S)-(oxan-4-yl)(phenyl)methyl]-9H-carbazole-4-carboxamide, Bromodomain-containing protein 4 | Authors: | Sheriff, S. | Deposit date: | 2021-04-01 | Release date: | 2021-09-29 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Discovery and Preclinical Pharmacology of an Oral Bromodomain and Extra-Terminal (BET) Inhibitor Using Scaffold-Hopping and Structure-Guided Drug Design. J.Med.Chem., 64, 2021
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4N53
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![BU of 4n53 by Molmil](/molmil-images/mine/4n53) | |
6LHD
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![BU of 6lhd by Molmil](/molmil-images/mine/6lhd) | Crystal structure of p53/BCL-xL fusion complex | Descriptor: | ZINC ION, fusion protein of Bcl-2-like protein 1 and Isoform 6 of Cellular tumor antigen p53 | Authors: | Wei, H, Chen, Y. | Deposit date: | 2019-12-07 | Release date: | 2021-03-31 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.499 Å) | Cite: | Structural insight into the molecular mechanism of p53-mediated mitochondrial apoptosis. Nat Commun, 12, 2021
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6LUM
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![BU of 6lum by Molmil](/molmil-images/mine/6lum) | Structure of Mycobacterium smegmatis succinate dehydrogenase 2 | Descriptor: | (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOINOSITOL, 2-(HEXADECANOYLOXY)-1-[(PHOSPHONOOXY)METHYL]ETHYL HEXADECANOATE, ... | Authors: | Gao, Y, Gong, H, Zhou, X, Xiao, Y, Wang, W, Ji, W, Wang, Q, Rao, Z. | Deposit date: | 2020-01-29 | Release date: | 2020-05-27 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (2.84 Å) | Cite: | Cryo-EM structure of trimeric Mycobacterium smegmatis succinate dehydrogenase with a membrane-anchor SdhF. Nat Commun, 11, 2020
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5LG4
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![BU of 5lg4 by Molmil](/molmil-images/mine/5lg4) | |
7DSL
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![BU of 7dsl by Molmil](/molmil-images/mine/7dsl) | Overall structure of the LAT1-4F2hc bound with JX-078 | Descriptor: | (2~{S})-2-azanyl-7-[(2-phenylphenyl)methoxy]-3,4-dihydro-1~{H}-naphthalene-2-carboxylic acid, 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Yan, R.H, Li, Y.N, Zhang, Y.Y, Zhong, X.Y, Zhou, Q. | Deposit date: | 2020-12-31 | Release date: | 2021-03-10 | Last modified: | 2022-06-29 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Mechanism of substrate transport and inhibition of the human LAT1-4F2hc amino acid transporter. Cell Discov, 7, 2021
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7DSQ
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![BU of 7dsq by Molmil](/molmil-images/mine/7dsq) | Overall structure of the LAT1-4F2hc bound with 3,5-diiodo-L-tyrosine | Descriptor: | 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3,5-DIIODOTYROSINE, ... | Authors: | Yan, R.H, Li, Y.N, Zhang, Y.Y, Zhong, X.Y, Zhou, Q. | Deposit date: | 2020-12-31 | Release date: | 2021-03-10 | Last modified: | 2022-06-29 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Mechanism of substrate transport and inhibition of the human LAT1-4F2hc amino acid transporter. Cell Discov, 7, 2021
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7DSN
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![BU of 7dsn by Molmil](/molmil-images/mine/7dsn) | Overall structure of the LAT1-4F2hc bound with JX-119 | Descriptor: | (2~{S})-2-azanyl-7-[[2-(1,3-benzoxazol-2-yl)phenyl]methoxy]-3,4-dihydro-1~{H}-naphthalene-2-carboxylic acid, 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Yan, R.H, Li, Y.N, Zhang, Y.Y, Zhong, X.Y, Zhou, Q. | Deposit date: | 2020-12-31 | Release date: | 2021-03-10 | Last modified: | 2022-06-29 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Mechanism of substrate transport and inhibition of the human LAT1-4F2hc amino acid transporter. Cell Discov, 7, 2021
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7DSK
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![BU of 7dsk by Molmil](/molmil-images/mine/7dsk) | Overall structure of the LAT1-4F2hc bound with JX-075 | Descriptor: | (2~{S})-2-azanyl-7-(naphthalen-1-ylmethoxy)-3,4-dihydro-1~{H}-naphthalene-2-carboxylic acid, 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Yan, R.H, Li, Y.N, Zhang, Y.Y, Zhong, X.Y, Zhou, Q. | Deposit date: | 2020-12-31 | Release date: | 2021-03-10 | Last modified: | 2022-06-29 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Mechanism of substrate transport and inhibition of the human LAT1-4F2hc amino acid transporter. Cell Discov, 7, 2021
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7KXT
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![BU of 7kxt by Molmil](/molmil-images/mine/7kxt) | Crystal structure of human EED | Descriptor: | 1-[(4-fluorophenyl)methyl]-N-{1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl}-1H-benzimidazol-2-amine, Polycomb protein EED, UNKNOWN ATOM OR ION | Authors: | Zhu, L, Dong, A, Du, D, Liu, Y, Luo, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2020-12-04 | Release date: | 2021-02-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structure-Guided Development of Small-Molecule PRC2 Inhibitors Targeting EZH2-EED Interaction. J.Med.Chem., 64, 2021
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2QYU
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![BU of 2qyu by Molmil](/molmil-images/mine/2qyu) | Crystal structure of Salmonella effector protein SopA | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, PHOSPHATE ION, Secreted effector protein | Authors: | Diao, J, Chen, J. | Deposit date: | 2007-08-15 | Release date: | 2007-12-11 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of SopA, a Salmonella effector protein mimicking a eukaryotic ubiquitin ligase. Nat.Struct.Mol.Biol., 15, 2008
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6LRB
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![BU of 6lrb by Molmil](/molmil-images/mine/6lrb) | |
2QZA
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![BU of 2qza by Molmil](/molmil-images/mine/2qza) | Crystal structure of Salmonella effector protein SopA | Descriptor: | Secreted effector protein | Authors: | Diao, J, Chen, J. | Deposit date: | 2007-08-16 | Release date: | 2007-12-11 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure of SopA, a Salmonella effector protein mimicking a eukaryotic ubiquitin ligase. Nat.Struct.Mol.Biol., 15, 2008
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3PUQ
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![BU of 3puq by Molmil](/molmil-images/mine/3puq) | CEKDM7A from C.Elegans, complex with alpha-KG | Descriptor: | 2-OXOGLUTARIC ACID, FE (II) ION, GLYCEROL, ... | Authors: | Yang, Y, Wang, P, Xu, W, Xu, Y. | Deposit date: | 2010-12-06 | Release date: | 2011-01-26 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Oncometabolite 2-hydroxyglutarate is a competitive inhibitor of alpha-ketoglutarate-dependent dioxygenases Cancer Cell, 19, 2011
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3PUR
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![BU of 3pur by Molmil](/molmil-images/mine/3pur) | CEKDM7A from C.Elegans, complex with D-2-HG | Descriptor: | (2R)-2-hydroxypentanedioic acid, FE (II) ION, Lysine-specific demethylase 7 homolog, ... | Authors: | Yang, Y, Wang, P, Xu, W, Xu, Y. | Deposit date: | 2010-12-06 | Release date: | 2011-01-26 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Oncometabolite 2-hydroxyglutarate is a competitive inhibitor of alpha-ketoglutarate-dependent dioxygenases Cancer Cell, 19, 2011
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6R8X
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![BU of 6r8x by Molmil](/molmil-images/mine/6r8x) | |
4R9I
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![BU of 4r9i by Molmil](/molmil-images/mine/4r9i) | Crystal structure of cysteine proteinase inhibitor Serpin18 from Bombyx mori | Descriptor: | BETA-MERCAPTOETHANOL, CITRATE ANION, SODIUM ION, ... | Authors: | Guo, P.C, He, H.W, Zhao, P, Xia, Q.Y. | Deposit date: | 2014-09-05 | Release date: | 2015-09-09 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structural insights into the unique inhibitory mechanism of the silkworm protease inhibitor serpin18 Sci Rep, 5, 2015
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6M6B
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![BU of 6m6b by Molmil](/molmil-images/mine/6m6b) | Cryo-EM structure of Thermus thermophilus Mfd in complex with RNA polymerase and ATP-gamma-S | Descriptor: | DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ... | Authors: | Shi, J, Wen, A, Feng, Y. | Deposit date: | 2020-03-14 | Release date: | 2020-10-14 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Structural basis of Mfd-dependent transcription termination. Nucleic Acids Res., 48, 2020
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7NRJ
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![BU of 7nrj by Molmil](/molmil-images/mine/7nrj) | |