7LH3
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7LH2
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7NEI
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7UYA
| Inhibitor bound VIM1 | Descriptor: | (2M)-4'-(piperidin-4-yl)-2-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide, Beta-lactamase VIM-1, ZINC ION | Authors: | Fischmann, T.O, Scapin, G. | Deposit date: | 2022-05-06 | Release date: | 2023-05-24 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.01 Å) | Cite: | Structure Guided Discovery of Novel Pan Metallo-beta-Lactamase Inhibitors with Improved Gram-Negative Bacterial Cell Penetration. J.Med.Chem., 67, 2024
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7UYD
| Inhibitor bound VIM1 | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Metallo-beta-lactamase VIM-2-like protein, ... | Authors: | Fischmann, T.O, Scapin, G. | Deposit date: | 2022-05-06 | Release date: | 2023-05-24 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Structure Guided Discovery of Novel Pan Metallo-beta-Lactamase Inhibitors with Improved Gram-Negative Bacterial Cell Penetration. J.Med.Chem., 67, 2024
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7UYB
| Inhibitor bound VIM1 | Descriptor: | (2M)-4'-(piperidin-4-yl)-2-(1H-tetrazol-5-yl)-4-(trifluoromethyl)[1,1'-biphenyl]-3-sulfonamide, Beta-lactamase VIM-1, ZINC ION | Authors: | Fischmann, T.O, Scapin, G. | Deposit date: | 2022-05-06 | Release date: | 2023-05-24 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.11 Å) | Cite: | Structure Guided Discovery of Novel Pan Metallo-beta-Lactamase Inhibitors with Improved Gram-Negative Bacterial Cell Penetration. J.Med.Chem., 67, 2024
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7UYC
| Inhibitor bound VIM1 | Descriptor: | (2P)-4'-(piperidin-4-yl)-4-[(piperidin-4-yl)methyl]-2-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide, Beta-lactamase VIM-1, MAGNESIUM ION, ... | Authors: | Fischmann, T.O, Scapin, G. | Deposit date: | 2022-05-06 | Release date: | 2023-05-24 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.02 Å) | Cite: | Structure Guided Discovery of Novel Pan Metallo-beta-Lactamase Inhibitors with Improved Gram-Negative Bacterial Cell Penetration. J.Med.Chem., 67, 2024
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8FBZ
| Crystal Structure of apo human Glutathione Synthetase Y270E | Descriptor: | GLYCEROL, Glutathione synthetase, SULFATE ION | Authors: | Stanford, S.M, Santelli, E, Sankaran, B, Murali, R, Bottini, N. | Deposit date: | 2022-11-30 | Release date: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Targeting prostate tumor low-molecular weight tyrosine phosphatase for oxidation-sensitizing therapy. Sci Adv, 10, 2024
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2QJR
| dipepdyl peptidase IV in complex with inhibitor PZF | Descriptor: | (3R,4S)-1-[6-(6-METHOXYPYRIDIN-3-YL)PYRIMIDIN-4-YL]-4-(2,4,5-TRIFLUOROPHENYL)PYRROLIDIN-3-AMINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Shenping, L. | Deposit date: | 2007-07-09 | Release date: | 2008-07-29 | Last modified: | 2022-04-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | (3R,4S)-4-(2,4,5-Trifluorophenyl)-pyrrolidin-3-ylamine inhibitors of dipeptidyl peptidase IV: synthesis, in vitro, in vivo, and X-ray crystallographic characterization. Bioorg.Med.Chem.Lett., 17, 2007
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8W2F
| Plasmodium falciparum 20S proteasome bound to an inhibitor | Descriptor: | (3S)-1-[(2-fluoroethoxy)acetyl]-N-{[(4P)-4-(6-methylpyridin-3-yl)-1,3-thiazol-2-yl]methyl}piperidine-3-carboxamide, Proteasome endopeptidase complex, Proteasome subunit alpha type, ... | Authors: | Han, Y, Deng, X, Ray, S, Chen, Z, Phillips, M. | Deposit date: | 2024-02-20 | Release date: | 2024-07-31 | Last modified: | 2024-09-04 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Identification of potent and reversible piperidine carboxamides that are species-selective orally active proteasome inhibitors to treat malaria. Cell Chem Biol, 31, 2024
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4OTF
| Crystal structure of the kinase domain of Bruton's Tyrosine kinase with GDC0834 | Descriptor: | N-{3-[6-({4-[(2R)-1,4-dimethyl-3-oxopiperazin-2-yl]phenyl}amino)-4-methyl-5-oxo-4,5-dihydropyrazin-2-yl]-2-methylphenyl }-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide, SULFATE ION, Tyrosine-protein kinase BTK | Authors: | Hymowitz, S.G, Maurer, B. | Deposit date: | 2014-02-13 | Release date: | 2015-01-28 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Potent and selective Bruton's tyrosine kinase inhibitors: Discovery of GDC-0834. Bioorg.Med.Chem.Lett., 25, 2015
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4Q0X
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6IQD
| Crystal structure of Alcohol dehydrogenase from Geobacillus stearothermophilus | Descriptor: | Alcohol dehydrogenase, ZINC ION | Authors: | Xue, S, Feng, Y, Guo, X, Zhao, Z. | Deposit date: | 2018-11-07 | Release date: | 2019-06-05 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.84 Å) | Cite: | Characterization of the substrate scope of an alcohol dehydrogenase commonly used as methanol dehydrogenase. Bioorg.Med.Chem.Lett., 29, 2019
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4RX5
| Bruton's tyrosine kinase (BTK) with pyridazinone compound 23 | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, GLYCEROL, N-(6-fluoro-2-methyl-3-{5-[(5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1,6-dihydropyridazin-3-yl}phenyl)-1-benzothiophene-2-carboxamide, ... | Authors: | Eigenbrot, C, Yu, C. | Deposit date: | 2014-12-08 | Release date: | 2015-12-02 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.356 Å) | Cite: | Discovery of highly potent and selective Bruton's tyrosine kinase inhibitors: Pyridazinone analogs with improved metabolic stability. Bioorg.Med.Chem.Lett., 26, 2016
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4PUZ
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4PV0
| Crystal structure of spleen tyrosine kinase (Syk) in complex with an imidazopyrazine inhibitor | Descriptor: | 4-[(3-{8-[(3,4-dimethoxyphenyl)amino]imidazo[1,2-a]pyrazin-6-yl}benzoyl)amino]benzoic acid, CHLORIDE ION, Tyrosine-protein kinase SYK | Authors: | Lansdon, E.B, Mitchell, S.A. | Deposit date: | 2014-03-14 | Release date: | 2014-05-21 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of GS-9973, a Selective and Orally Efficacious Inhibitor of Spleen Tyrosine Kinase. J.Med.Chem., 57, 2014
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8X2I
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8X2H
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4HZL
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7MFH
| Crystal structure of BIO-32546 bound mouse Autotaxin | Descriptor: | (1R,3S,5S)-8-{(1S)-1-[8-(trifluoromethyl)-7-{[(1s,4R)-4-(trifluoromethyl)cyclohexyl]oxy}naphthalen-2-yl]ethyl}-8-azabicyclo[3.2.1]octane-3-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Chodaparambil, J.V. | Deposit date: | 2021-04-09 | Release date: | 2022-04-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery of Potent Selective Nonzinc Binding Autotaxin Inhibitor BIO-32546. Acs Med.Chem.Lett., 12, 2021
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5VJT
| De Novo Photosynthetic Reaction Center Protein Equipped with Heme B and Zn(II) cations | Descriptor: | CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, Reaction Center Maquette, ... | Authors: | Ennist, N.M, Stayrook, S.E, Dutton, P.L, Moser, C.C. | Deposit date: | 2017-04-19 | Release date: | 2018-04-25 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | De novo protein design of photochemical reaction centers. Nat Commun, 13, 2022
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5VJU
| De Novo Photosynthetic Reaction Center Protein Variant Equipped with His-Tyr H-bond, Heme B, and Cd(II) ions | Descriptor: | CADMIUM ION, PROTOPORPHYRIN IX CONTAINING FE, Reaction Center Maquette Leu71His variant | Authors: | Ennist, N.M, Stayrook, S.E, Dutton, P.L, Moser, C.C. | Deposit date: | 2017-04-19 | Release date: | 2018-04-25 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | De novo protein design of photochemical reaction centers. Nat Commun, 13, 2022
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9C5P
| Inhibitor bound VIM1 | Descriptor: | (2M)-4-(piperidine-4-sulfonyl)-4'-(piperidin-4-yl)-2-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide, MAGNESIUM ION, Metallo-beta-lactamase type 2, ... | Authors: | Fischmann, T.O, Scapin, G. | Deposit date: | 2024-06-06 | Release date: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Discovery of sulfone containing metallo-beta-lactamase inhibitors with reduced bacterial cell efflux and histamine release issues BMCL, 2024
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1Y2M
| Crystal structure of phenylalanine ammonia-lyase from yeast Rhododporidium toruloides | Descriptor: | Phenylalanine ammonia-lyase | Authors: | Wang, L, Gamez, A, Sarkissian, C.N, Straub, M, Patch, M.G, Han, G.W, Scriver, C.R, Stevens, R.C. | Deposit date: | 2004-11-22 | Release date: | 2005-11-01 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure-based chemical modification strategy for enzyme replacement treatment of phenylketonuria. Mol.Genet.Metab., 86, 2005
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8KA8
| Cryo-EM structure of SARS-CoV-2 Delta RBD in complex with golden hamster ACE2 (local refinement) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, ... | Authors: | Niu, S, Zhao, Z.N, Chai, Y, Gao, G.F. | Deposit date: | 2023-08-02 | Release date: | 2024-01-31 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (2.96 Å) | Cite: | Structural basis and analysis of hamster ACE2 binding to different SARS-CoV-2 spike RBDs. J.Virol., 98, 2024
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