3X3R
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1C8I
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![BU of 1c8i by Molmil](/molmil-images/mine/1c8i) | BINDING MODE OF HYDROXYLAMINE TO ARTHROMYCES RAMOSUS PEROXIDASE | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, HYDROXYAMINE, ... | Authors: | Wariishi, H, Nonaka, D, Johjima, T, Nakamura, N, Naruta, Y, Kubo, K, Fukuyama, K. | Deposit date: | 2000-05-08 | Release date: | 2001-01-17 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Direct binding of hydroxylamine to the heme iron of Arthromyces ramosus peroxidase. Substrate analogue that inhibits compound I formation in a competetive manner. J.Biol.Chem., 275, 2000
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3KL6
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![BU of 3kl6 by Molmil](/molmil-images/mine/3kl6) | Discovery of Tetrahydropyrimidin-2(1H)-one derivative TAK-442: A potent, selective and orally active factor Xa inhibitor | Descriptor: | 1,2-ETHANEDIOL, 1-(1-{(2S)-3-[(6-chloronaphthalen-2-yl)sulfonyl]-2-hydroxypropanoyl}piperidin-4-yl)tetrahydropyrimidin-2(1H)-one, CALCIUM ION, ... | Authors: | Aertgeerts, K. | Deposit date: | 2009-11-06 | Release date: | 2009-12-01 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Discovery of a tetrahydropyrimidin-2(1H)-one derivative (TAK-442) as a potent, selective, and orally active factor Xa inhibitor. J.Med.Chem., 53, 2010
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5KOQ
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![BU of 5koq by Molmil](/molmil-images/mine/5koq) | Discovery of TAK-272: A Novel, Potent and Orally Active Renin In-hibitor | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-~{tert}-butyl-4-(furan-2-ylmethylamino)-~{N}-(2-methylpropyl)-~{N}-[(3~{S})-piperidin-3-yl]pyrimidine-5-carboxamide, DI(HYDROXYETHYL)ETHER, ... | Authors: | Snell, G.P, Behnke, C.A, Okada, K, Hideyuki, O, Sang, B.-C, Lane, W. | Deposit date: | 2016-07-01 | Release date: | 2016-11-02 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure-based design of a new series of N-(piperidin-3-yl)pyrimidine-5-carboxamides as renin inhibitors. Bioorg.Med.Chem., 24, 2016
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5SZ9
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![BU of 5sz9 by Molmil](/molmil-images/mine/5sz9) | Structure-based design of a new series of N-piperidin-3-ylpyrimidine-5-carboxamides as renin inhibitors | Descriptor: | (azepan-1-yl)(2-{[(furan-2-yl)methyl]amino}-6-methylpyridin-3-yl)methanone, 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ... | Authors: | Snell, G.P, Behnke, C.A, Okada, K, Hideyuki, O, Sang, B.C, Lane, W. | Deposit date: | 2016-08-12 | Release date: | 2016-11-02 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Structure-based design of a new series of N-(piperidin-3-yl)pyrimidine-5-carboxamides as renin inhibitors. Bioorg.Med.Chem., 24, 2016
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5SY3
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![BU of 5sy3 by Molmil](/molmil-images/mine/5sy3) | Structure-based design of a new series of N-piperidin-3-ylpyrimidine-5-carboxamides as renin inhibitors | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ... | Authors: | Snell, G.P, Behnke, C.A, Okada, K, Hideyuki, O, Sang, B.C, Lane, W. | Deposit date: | 2016-08-10 | Release date: | 2016-11-02 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure-based design of a new series of N-(piperidin-3-yl)pyrimidine-5-carboxamides as renin inhibitors. Bioorg.Med.Chem., 24, 2016
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5SXN
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![BU of 5sxn by Molmil](/molmil-images/mine/5sxn) | Structure-based design of a new series of N-piperidin-3-ylpyrimidine-5-carboxamides as renin inhibitors | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ... | Authors: | Snell, G.P, Behnke, C.A, Okada, K, Hideyuki, O, Sang, B.-C, Lane, W. | Deposit date: | 2016-08-09 | Release date: | 2016-11-02 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure-based design of a new series of N-(piperidin-3-yl)pyrimidine-5-carboxamides as renin inhibitors. Bioorg.Med.Chem., 24, 2016
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5SY2
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![BU of 5sy2 by Molmil](/molmil-images/mine/5sy2) | Structure-based design of a new series of N-piperidin-3-ylpyrimidine-5-carboxamides as renin inhibitors | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, N-ethyl-4-{[(furan-2-yl)methyl]amino}-2-methyl-N-[(3S)-piperidin-3-yl]pyrimidine-5-carboxamide, ... | Authors: | Snell, G.P, Behnke, C.A, Okada, K, Hideyuki, O, Sang, B.C, Lane, W. | Deposit date: | 2016-08-10 | Release date: | 2016-11-02 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structure-based design of a new series of N-(piperidin-3-yl)pyrimidine-5-carboxamides as renin inhibitors. Bioorg.Med.Chem., 24, 2016
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6J6U
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![BU of 6j6u by Molmil](/molmil-images/mine/6j6u) | Rat PTPRZ D1-D2 domain | Descriptor: | Receptor-type tyrosine-protein phosphatase zeta | Authors: | Sugawara, H. | Deposit date: | 2019-01-15 | Release date: | 2019-08-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.32 Å) | Cite: | A head-to-toe dimerization has physiological relevance for ligand-induced inactivation of protein tyrosine receptor type Z. J.Biol.Chem., 294, 2019
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5H08
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![BU of 5h08 by Molmil](/molmil-images/mine/5h08) | Human PTPRZ D1 domain complexed with NAZ2329 | Descriptor: | 3-{[2-Ethoxy-5-(trifluoromethyl)benzyl]sulfanyl}-N-(phenylsulfonyl)thiophene-2-carboxamide, Receptor-type tyrosine-protein phosphatase zeta | Authors: | Sugawara, H. | Deposit date: | 2016-10-04 | Release date: | 2017-07-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Targeting PTPRZ inhibits stem cell-like properties and tumorigenicity in glioblastoma cells Sci Rep, 7, 2017
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3LQB
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![BU of 3lqb by Molmil](/molmil-images/mine/3lqb) | Crystal structure of the hatching enzyme ZHE1 from the zebrafish Danio rerio | Descriptor: | 1,2-ETHANEDIOL, LOC792177 protein, SULFATE ION, ... | Authors: | Tanokura, M, Okada, A, Nagata, K, Yasumasu, S, Ohtsuka, J, Iuchi, I. | Deposit date: | 2010-02-08 | Release date: | 2010-09-08 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Crystal structure of zebrafish hatching enzyme 1 from the zebrafish Danio rerio J.Mol.Biol., 402, 2010
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5AWX
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![BU of 5awx by Molmil](/molmil-images/mine/5awx) | Crystal structure of Human PTPRZ D1 domain | Descriptor: | BROMIDE ION, Receptor-type tyrosine-protein phosphatase zeta | Authors: | Sugawara, H. | Deposit date: | 2015-07-10 | Release date: | 2016-02-17 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Small-molecule inhibition of PTPRZ reduces tumor growth in a rat model of glioblastoma Sci Rep, 6, 2016
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4TM8
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4TM7
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![BU of 4tm7 by Molmil](/molmil-images/mine/4tm7) | Crystal structure of 6-phosphogluconolactonase from Mycobacterium smegmatis N131D mutant soaked with CuSO4 | Descriptor: | 1,2-ETHANEDIOL, 6-phosphogluconolactonase, CHLORIDE ION, ... | Authors: | Fujieda, N, Stuttfeld, E, Maier, T. | Deposit date: | 2014-05-31 | Release date: | 2015-06-03 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | Enzyme repurposing of a hydrolase as an emergent peroxidase upon metal binding. Chem Sci, 6, 2015
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2RTX
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![BU of 2rtx by Molmil](/molmil-images/mine/2rtx) | Solution structure of the GGQ domain of YaeJ protein from Escherichia coli | Descriptor: | Peptidyl-tRNA hydrolase YaeJ | Authors: | Nameki, N, Enomoto, M, Kogure, H, Tochio, N, Guntert, P. | Deposit date: | 2013-09-21 | Release date: | 2013-12-25 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Identification of residues required for stalled-ribosome rescue in the codon-independent release factor YaeJ Nucleic Acids Res., 42, 2014
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2ZO4
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![BU of 2zo4 by Molmil](/molmil-images/mine/2zo4) | Crystal structure of metallo-beta-lactamase family protein TTHA1429 from Thermus thermophilus HB8 | Descriptor: | Metallo-beta-lactamase family protein, ZINC ION | Authors: | Yamamura, A, Nagata, K, Agari, Y, Ebihara, A, Nakagawa, N, Yokoyama, S, Kuramitsu, S, Tanokura, M. | Deposit date: | 2008-05-05 | Release date: | 2009-03-17 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of TTHA1429, a novel metallo-beta-lactamase superfamily protein from Thermus thermophilus HB8. Proteins, 73, 2008
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2ZTS
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3WXE
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3WXG
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3WXF
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6LVK
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![BU of 6lvk by Molmil](/molmil-images/mine/6lvk) | Crystal structure of FGFR2 in complex with 1,3,5-triazine derivative | Descriptor: | Fibroblast growth factor receptor 2, N-ethyl-2-[[4-[[4-(4-methylpiperazin-1-yl)-3-(2-morpholin-4-ylethoxy)phenyl]amino]-1,3,5-triazin-2-yl]amino]benzenesulfonamide, SULFATE ION | Authors: | Echizen, Y, Amano, Y, Tateishi, Y. | Deposit date: | 2020-02-04 | Release date: | 2020-04-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Structure-based drug design of 1,3,5-triazine and pyrimidine derivatives as novel FGFR3 inhibitors with high selectivity over VEGFR2. Bioorg.Med.Chem., 28, 2020
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6LVL
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![BU of 6lvl by Molmil](/molmil-images/mine/6lvl) | Crystal structure of FGFR2 in complex with 1,3,5-triazine derivative | Descriptor: | Fibroblast growth factor receptor 2, N-ethyl-2-[[4-[[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]amino]-1,3,5-triazin-2-yl]amino]benzenesulfonamide, SULFATE ION | Authors: | Echizen, Y, Tateishi, Y, Amano, Y. | Deposit date: | 2020-02-04 | Release date: | 2020-04-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.98 Å) | Cite: | Structure-based drug design of 1,3,5-triazine and pyrimidine derivatives as novel FGFR3 inhibitors with high selectivity over VEGFR2. Bioorg.Med.Chem., 28, 2020
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6LVM
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![BU of 6lvm by Molmil](/molmil-images/mine/6lvm) | Crystal structure of FGFR3 in complex with pyrimidine derivative | Descriptor: | 2-[[5-[2-(3,5-dimethoxyphenyl)ethyl]-2-[[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]amino]pyrimidin-4-yl]amino]-N-ethyl-benzenesulfonamide, Fibroblast growth factor receptor 3 | Authors: | Echizen, Y, Tateishi, Y, Amano, Y. | Deposit date: | 2020-02-04 | Release date: | 2020-04-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Structure-based drug design of 1,3,5-triazine and pyrimidine derivatives as novel FGFR3 inhibitors with high selectivity over VEGFR2. Bioorg.Med.Chem., 28, 2020
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5H11
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7DHL
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![BU of 7dhl by Molmil](/molmil-images/mine/7dhl) | Crystal structure of FGFR3 in complex with pyrimidine derivative | Descriptor: | 5-[2-(3,5-dimethoxyphenyl)ethyl]-N-[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidin-2-amine, Fibroblast growth factor receptor 3 | Authors: | Echizen, Y, Tateishi, Y, Amano, Y. | Deposit date: | 2020-11-16 | Release date: | 2021-02-03 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | Synthesis and structure-activity relationships of pyrimidine derivatives as potent and orally active FGFR3 inhibitors with both increased systemic exposure and enhanced in vitro potency. Bioorg.Med.Chem., 33, 2021
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