5ZTB
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![BU of 5ztb by Molmil](/molmil-images/mine/5ztb) | Structure of Sulfurtransferase | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, IRON/SULFUR CLUSTER, ... | Authors: | Tanaka, Y, Chen, M, Narai, S, Yao, M. | Deposit date: | 2018-05-02 | Release date: | 2019-06-12 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The [4Fe-4S] cluster of sulfurtransferase TtuA desulfurizes TtuB during tRNA modification in Thermus thermophilus. Commun Biol, 3, 2020
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8IJW
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![BU of 8ijw by Molmil](/molmil-images/mine/8ijw) | Cryo-EM structure of the gastric proton pump with bound DQ-06 | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, ... | Authors: | Abe, K, Yokoshima, S, Yoshimori, A. | Deposit date: | 2023-02-28 | Release date: | 2023-08-30 | Last modified: | 2023-10-04 | Method: | ELECTRON MICROSCOPY (2.19 Å) | Cite: | Deep learning driven de novo drug design based on gastric proton pump structures. Commun Biol, 6, 2023
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8IJX
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![BU of 8ijx by Molmil](/molmil-images/mine/8ijx) | Cryo-EM structure of the gastric proton pump with bound DQ-18 | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-[4-[(5-chloranyl-2-phenylmethoxy-phenyl)methoxy]phenyl]-N-methyl-methanamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Abe, K, Yokoshima, S, Yoshimori, A. | Deposit date: | 2023-02-28 | Release date: | 2023-08-30 | Last modified: | 2023-10-04 | Method: | ELECTRON MICROSCOPY (2.08 Å) | Cite: | Deep learning driven de novo drug design based on gastric proton pump structures. Commun Biol, 6, 2023
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8IJV
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![BU of 8ijv by Molmil](/molmil-images/mine/8ijv) | Cryo-EM structure of the gastric proton pump with bound DQ-02 | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[[5-chloranyl-2-(4-chlorophenyl)phenyl]methoxy]-N-methyl-but-2-yn-1-amine, ... | Authors: | Abe, K, Yokoshima, S, Yoshimori, A. | Deposit date: | 2023-02-28 | Release date: | 2023-08-30 | Last modified: | 2023-10-04 | Method: | ELECTRON MICROSCOPY (2.1 Å) | Cite: | Deep learning driven de novo drug design based on gastric proton pump structures. Commun Biol, 6, 2023
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8JMN
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![BU of 8jmn by Molmil](/molmil-images/mine/8jmn) | Cryo-EM structure of the gastric proton pump with bound DQ-21 | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-[4-[[2-[(4-chlorophenyl)methoxy]phenyl]methoxy]phenyl]-N-methyl-methanamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Abe, K, Yokoshima, S, Yoshimori, A. | Deposit date: | 2023-06-05 | Release date: | 2023-08-30 | Last modified: | 2023-10-04 | Method: | ELECTRON MICROSCOPY (2.26 Å) | Cite: | Deep learning driven de novo drug design based on gastric proton pump structures. Commun Biol, 6, 2023
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8X6R
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![BU of 8x6r by Molmil](/molmil-images/mine/8x6r) | KRasG12C in complex with inhibitor | Descriptor: | 1-[7-[6-ethenyl-8-ethoxy-7-(5-methyl-1~{H}-indazol-4-yl)-2-(1-methylpiperidin-4-yl)oxy-quinazolin-4-yl]-2,7-diazaspiro[3.5]nonan-2-yl]propan-1-one, GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ... | Authors: | Amano, Y, Tateishi, Y. | Deposit date: | 2023-11-21 | Release date: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Discovery of ASP6918, a KRAS G12C inhibitor: Synthesis and structure-activity relationships of 1-{2,7-diazaspiro[3.5]non-2-yl}prop-2-en-1-one derivatives as covalent inhibitors with good potency and oral activity for the treatment of solid tumors. Bioorg.Med.Chem., 98, 2023
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5XDN
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![BU of 5xdn by Molmil](/molmil-images/mine/5xdn) | Crystal structure of human voltage-dependent anion channel 1 (hVDAC1) in P22121 space group | Descriptor: | DECANE, DODECANE, HEXANE, ... | Authors: | Hosaka, T, Kimura-Someya, T, Shirouzu, M. | Deposit date: | 2017-03-28 | Release date: | 2017-06-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Crystal structural characterization reveals novel oligomeric interactions of human voltage-dependent anion channel 1 Protein Sci., 26, 2017
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5XDO
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![BU of 5xdo by Molmil](/molmil-images/mine/5xdo) | Crystal structure of human voltage-dependent anion channel 1 (hVDAC1) in C222 space group | Descriptor: | HEXANE, N-OCTANE, PENTANE, ... | Authors: | Hosaka, T, Kimura-Someya, T, Shirouzu, M. | Deposit date: | 2017-03-28 | Release date: | 2017-06-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Crystal structural characterization reveals novel oligomeric interactions of human voltage-dependent anion channel 1 Protein Sci., 26, 2017
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5KCA
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![BU of 5kca by Molmil](/molmil-images/mine/5kca) | Crystal structure of the Cbln1 C1q domain trimer in complex with the amino-terminal domain (ATD) of iGluR Delta-2 (GluD2) | Descriptor: | CALCIUM ION, Cerebellin-1,Cerebellin-1,Cerebellin-1,Glutamate receptor ionotropic, delta-2 | Authors: | Elegheert, J, Aricescu, A.R. | Deposit date: | 2016-06-05 | Release date: | 2016-07-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structural basis for integration of GluD receptors within synaptic organizer complexes. Science, 353, 2016
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5KC8
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![BU of 5kc8 by Molmil](/molmil-images/mine/5kc8) | Crystal structure of the amino-terminal domain (ATD) of iGluR Delta-2 (GluD2) | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Glutamate receptor ionotropic, ... | Authors: | Elegheert, J, Clay, J.E, Siebold, C, Aricescu, A.R. | Deposit date: | 2016-06-05 | Release date: | 2016-07-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.751 Å) | Cite: | Structural basis for integration of GluD receptors within synaptic organizer complexes. Science, 353, 2016
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5KC5
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![BU of 5kc5 by Molmil](/molmil-images/mine/5kc5) | Crystal structure of the Cbln1 C1q domain trimer | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Cerebellin-1 | Authors: | Elegheert, J, Clay, J.E, Siebold, C, Aricescu, A.R. | Deposit date: | 2016-06-05 | Release date: | 2016-07-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.351 Å) | Cite: | Structural basis for integration of GluD receptors within synaptic organizer complexes. Science, 353, 2016
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5KC9
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![BU of 5kc9 by Molmil](/molmil-images/mine/5kc9) | Crystal structure of the amino-terminal domain (ATD) of iGluR Delta-1 (GluD1) | Descriptor: | 1,2-ETHANEDIOL, 1,4-BUTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Elegheert, J, Clay, J.E, Siebold, C, Aricescu, A.R. | Deposit date: | 2016-06-05 | Release date: | 2016-07-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural basis for integration of GluD receptors within synaptic organizer complexes. Science, 353, 2016
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5KC7
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![BU of 5kc7 by Molmil](/molmil-images/mine/5kc7) | |
5GZ8
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![BU of 5gz8 by Molmil](/molmil-images/mine/5gz8) | |
5KC6
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![BU of 5kc6 by Molmil](/molmil-images/mine/5kc6) | |
5GZ9
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![BU of 5gz9 by Molmil](/molmil-images/mine/5gz9) | Crystal structure of catalytic domain of Protein O-mannosyl Kinase in complexes with AMP-PNP, Magnesium ions and glycopeptide | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Protein O-mannose kinase, ... | Authors: | Nagae, M, Yamaguchi, Y. | Deposit date: | 2016-09-27 | Release date: | 2017-03-29 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | 3D structural analysis of protein O-mannosyl kinase, POMK, a causative gene product of dystroglycanopathy. Genes Cells, 22, 2017
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4PW4
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![BU of 4pw4 by Molmil](/molmil-images/mine/4pw4) | Crystal structure of Aminopeptidase N in complex with phosphonic acid analogue of homophenylalanine L-(R)-hPheP | Descriptor: | Aminopeptidase N, GLYCEROL, IMIDAZOLE, ... | Authors: | Nocek, B, Mulligan, R, Vassiliou, S, Berlicki, L, Mucha, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2014-03-18 | Release date: | 2014-06-25 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal structure of Aminopeptidase N in complex with phosphonic analogs of homophenylalanine TO BE PUBLISHED
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4PU2
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![BU of 4pu2 by Molmil](/molmil-images/mine/4pu2) | Crystal structure of Aminopeptidase N in complex with the phosphonic acid analogue of leucine L-(R)-LeuP | Descriptor: | Aminopeptidase N, GLYCEROL, LEUCINE PHOSPHONIC ACID, ... | Authors: | Nocek, B, Vassiliou, S, Berlicki, L, Mulligan, R, Mucha, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2014-03-11 | Release date: | 2014-06-25 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.095 Å) | Cite: | Crystal structure of Aminopeptidase N in complex with the phosphonic acid analogue of leucine To be Published
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5ZM4
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![BU of 5zm4 by Molmil](/molmil-images/mine/5zm4) | Fe(II)/(alpha)ketoglutarate-dependent dioxygenase AndA with preandiloid C | Descriptor: | (6aS,8aR,12aS,12bR,13aR)-5,6a,9,9,12a,13a-hexamethyl-7,8,8a,9,12a,12b,13,13a-octahydro-3H-benzo[a]furo[3,4-j]xanthene-3,4,10(1H,6aH)-trione, 2-OXOGLUTARIC ACID, Dioxygenase andA, ... | Authors: | Nakashima, Y, Senda, T. | Deposit date: | 2018-04-01 | Release date: | 2018-07-18 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural and Computational Bases for Dramatic Skeletal Rearrangement in Anditomin Biosynthesis. J. Am. Chem. Soc., 140, 2018
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4QPE
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![BU of 4qpe by Molmil](/molmil-images/mine/4qpe) | Crystal structure of Aminopeptidase N in complex with N-cyclohexyl-1,2-diaminoethylphosphonic acid | Descriptor: | Aminopeptidase N, SULFATE ION, ZINC ION, ... | Authors: | Nocek, B, Mulligan, R, Berlicki, L, Vassilious, S, Mucha, A, Joachimiak, A. | Deposit date: | 2014-06-23 | Release date: | 2014-09-24 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.004 Å) | Cite: | Structure-guided, single-point modifications in the phosphinic dipeptide structure yield highly potent and selective inhibitors of neutral aminopeptidases. J.Med.Chem., 57, 2014
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4QHP
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![BU of 4qhp by Molmil](/molmil-images/mine/4qhp) | Crystal structure of Aminopeptidase N in complex with the phosphinic dipeptide analogue LL-(R,S)-hPheP[CH2]Phe(4-CH2NH2) | Descriptor: | (2R)-2-[4-(aminomethyl)benzyl]-3-[(R)-[(1R)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]propanoic acid, (2S)-2-[4-(aminomethyl)benzyl]-3-[(R)-[(1R)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]propanoic acid, Aminopeptidase N, ... | Authors: | Nocek, B, Joachimiak, A. | Deposit date: | 2014-05-28 | Release date: | 2014-09-24 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure-guided, single-point modifications in the phosphinic dipeptide structure yield highly potent and selective inhibitors of neutral aminopeptidases. J.Med.Chem., 57, 2014
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6KE0
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![BU of 6ke0 by Molmil](/molmil-images/mine/6ke0) | Crystal structure of PDE10A in complex with a triazolopyrimidine inhibitor | Descriptor: | 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-[(2S)-2-methyl-1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl]ethanone, MAGNESIUM ION, ZINC ION, ... | Authors: | Amano, Y, Honbou, K. | Deposit date: | 2019-07-03 | Release date: | 2019-08-14 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Synthesis, SAR study, and biological evaluation of novel 2,3-dihydro-1H-imidazo[1,2-a]benzimidazole derivatives as phosphodiesterase 10A inhibitors. Bioorg.Med.Chem., 27, 2019
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4QME
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![BU of 4qme by Molmil](/molmil-images/mine/4qme) | Crystal structure of Aminopeptidase N in complex with the phosphinic dipeptide analogue LL-(R,S)-hPheP[CH2]Phe | Descriptor: | (2S)-3-[(S)-[(1R)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]-2-benzylpropanoic acid, Aminopeptidase N, GLYCEROL, ... | Authors: | Nocek, B, Vassilious, S, Mulligan, R, Berlicki, L, Mucha, A, Joachimiak, A. | Deposit date: | 2014-06-16 | Release date: | 2014-10-01 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.601 Å) | Cite: | Structure-guided, single-point modifications in the phosphinic dipeptide structure yield highly potent and selective inhibitors of neutral aminopeptidases. J.Med.Chem., 57, 2014
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6KDX
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![BU of 6kdx by Molmil](/molmil-images/mine/6kdx) | Crystal structure of PDE10A in complex with a triazolopyrimidine inhibitor | Descriptor: | MAGNESIUM ION, N-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]quinolin-2-amine, ZINC ION, ... | Authors: | Amano, Y, Honbou, K. | Deposit date: | 2019-07-03 | Release date: | 2019-08-14 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Synthesis, SAR study, and biological evaluation of novel 2,3-dihydro-1H-imidazo[1,2-a]benzimidazole derivatives as phosphodiesterase 10A inhibitors. Bioorg.Med.Chem., 27, 2019
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6KDZ
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![BU of 6kdz by Molmil](/molmil-images/mine/6kdz) | Crystal structure of PDE10A in complex with a triazolopyrimidine inhibitor | Descriptor: | 4-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-3,7,8,10-tetrazatricyclo[7.4.0.0^{2,7}]trideca-1,3,5,8,10,12-hexaen-6-ol, MAGNESIUM ION, ZINC ION, ... | Authors: | Amano, Y, Honbou, K. | Deposit date: | 2019-07-03 | Release date: | 2019-08-14 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Synthesis, SAR study, and biological evaluation of novel 2,3-dihydro-1H-imidazo[1,2-a]benzimidazole derivatives as phosphodiesterase 10A inhibitors. Bioorg.Med.Chem., 27, 2019
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