1SJJ
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1YR1
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1RY0
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![BU of 1ry0 by Molmil](/molmil-images/mine/1ry0) | Structure of prostaglandin F synthase with prostaglandin D2 | Descriptor: | Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PROSTAGLANDIN D2 | Authors: | Komoto, J, Yamada, T, Watanabe, K, Takusagawa, F. | Deposit date: | 2003-12-19 | Release date: | 2004-11-02 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Crystal structure of human prostaglandin F synthase (AKR1C3). Biochemistry, 43, 2004
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7EX6
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7EX8
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![BU of 7ex8 by Molmil](/molmil-images/mine/7ex8) | Crystal structure of Ebinur Lake virus cap snatching endonuclease in complex with inhibitor 27 | Descriptor: | CHLORIDE ION, MANGANESE (II) ION, Replicase, ... | Authors: | Kuang, W, Hu, Z, Gong, P. | Deposit date: | 2021-05-26 | Release date: | 2022-02-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Structural and Biochemical Basis for Development of Diketo Acid Inhibitors Targeting the Cap-Snatching Endonuclease of the Ebinur Lake Virus (Order: Bunyavirales ). J.Virol., 96, 2022
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7EX9
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![BU of 7ex9 by Molmil](/molmil-images/mine/7ex9) | Crystal structure of Ebinur Lake virus cap snatching endonuclease in complex with inhibitor 28 | Descriptor: | CHLORIDE ION, MANGANESE (II) ION, Replicase, ... | Authors: | Kuang, W, Hu, Z, Gong, P. | Deposit date: | 2021-05-26 | Release date: | 2022-02-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural and Biochemical Basis for Development of Diketo Acid Inhibitors Targeting the Cap-Snatching Endonuclease of the Ebinur Lake Virus (Order: Bunyavirales ). J.Virol., 96, 2022
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7EX2
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![BU of 7ex2 by Molmil](/molmil-images/mine/7ex2) | Crystal structure of Ebinur Lake virus cap snatching endonuclease in complex with L-742,001 (methyl ester form) | Descriptor: | MANGANESE (II) ION, Replicase, methyl (Z)-4-[4-[(4-chlorophenyl)methyl]-1-(phenylmethyl)piperidin-4-yl]-2-oxidanyl-4-oxidanylidene-but-2-enoate | Authors: | Kuang, W, Hu, Z, Gong, P. | Deposit date: | 2021-05-26 | Release date: | 2022-02-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structural and Biochemical Basis for Development of Diketo Acid Inhibitors Targeting the Cap-Snatching Endonuclease of the Ebinur Lake Virus (Order: Bunyavirales ). J.Virol., 96, 2022
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7EX7
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![BU of 7ex7 by Molmil](/molmil-images/mine/7ex7) | Crystal structure of Ebinur Lake virus cap snatching endonuclease in complex with inhibitor 16 | Descriptor: | CHLORIDE ION, MANGANESE (II) ION, Replicase, ... | Authors: | Kuang, W, Hu, Z, Gong, P. | Deposit date: | 2021-05-26 | Release date: | 2022-02-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural and Biochemical Basis for Development of Diketo Acid Inhibitors Targeting the Cap-Snatching Endonuclease of the Ebinur Lake Virus (Order: Bunyavirales ). J.Virol., 96, 2022
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7EX3
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![BU of 7ex3 by Molmil](/molmil-images/mine/7ex3) | Crystal structure of Ebinur Lake virus cap snatching endonuclease in complex with inhibitor 3 | Descriptor: | CHLORIDE ION, MANGANESE (II) ION, Replicase, ... | Authors: | Kuang, W, Hu, Z, Gong, P. | Deposit date: | 2021-05-26 | Release date: | 2022-02-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structural and Biochemical Basis for Development of Diketo Acid Inhibitors Targeting the Cap-Snatching Endonuclease of the Ebinur Lake Virus (Order: Bunyavirales ). J.Virol., 96, 2022
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7EX4
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![BU of 7ex4 by Molmil](/molmil-images/mine/7ex4) | Crystal structure of Ebinur Lake virus cap snatching endonuclease in complex with inhibitor 5 | Descriptor: | CHLORIDE ION, MANGANESE (II) ION, Replicase, ... | Authors: | Kuang, W, Hu, Z, Gong, P. | Deposit date: | 2021-05-26 | Release date: | 2022-02-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural and Biochemical Basis for Development of Diketo Acid Inhibitors Targeting the Cap-Snatching Endonuclease of the Ebinur Lake Virus (Order: Bunyavirales ). J.Virol., 96, 2022
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4X5Y
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![BU of 4x5y by Molmil](/molmil-images/mine/4x5y) | Menin in complex with MI-503 | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-methyl-1-(1H-pyrazol-4-ylmethyl)-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile, ... | Authors: | Pollock, J, Borkin, D, Cierpicki, T, Grembecka, J. | Deposit date: | 2014-12-06 | Release date: | 2015-04-15 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Pharmacologic Inhibition of the Menin-MLL Interaction Blocks Progression of MLL Leukemia In Vivo. Cancer Cell, 27, 2015
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4BUY
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![BU of 4buy by Molmil](/molmil-images/mine/4buy) | Crystal structure of human tankyrase 2 in complex with 5-methyl-5-(4-(4-oxo-3,4-dihydroquinazolin-2-yl)phenyl)imidazolidine-2,4-dione | Descriptor: | (5S)-5-methyl-5-[4-(4-oxidanylidene-3H-quinazolin-2-yl)phenyl]imidazolidine-2,4-dione, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Haikarainen, T, Narwal, M, Lehtio, L. | Deposit date: | 2013-06-24 | Release date: | 2013-10-30 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Para-Substituted 2-Phenyl-3,4-Dihydroquinazolin-4-Ones as Potent and Selective Tankyrase Inhibitors. Chemmedchem, 8, 2013
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6IS6
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![BU of 6is6 by Molmil](/molmil-images/mine/6is6) | Crystal structure of Thermoplasmatales archaeon heliorhodopsin | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, RETINAL, heliorhodopsin | Authors: | Shihoya, W, Yamashita, K, Nureki, O. | Deposit date: | 2018-11-15 | Release date: | 2019-09-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of heliorhodopsin. Nature, 574, 2019
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4BUV
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![BU of 4buv by Molmil](/molmil-images/mine/4buv) | Crystal structure of human tankyrase 2 in complex with N-(4-(4-oxo-3, 4-dihydroquinazolin-2-yl)phenyl)thiophene-2-carboxamide | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, N-[4-(4-OXO-3,4-DIHYDROQUINAZOLIN-2-YL)PHENYL]THIOPHENE-2-CARBOXAMIDE, ... | Authors: | Haikarainen, T, Narwal, M, Lehtio, L. | Deposit date: | 2013-06-24 | Release date: | 2013-10-30 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Para-Substituted 2-Phenyl-3,4-Dihydroquinazolin-4-Ones as Potent and Selective Tankyrase Inhibitors. Chemmedchem, 8, 2013
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4EOY
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3UFY
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![BU of 3ufy by Molmil](/molmil-images/mine/3ufy) | AKR1C3 complex with R-naproxen | Descriptor: | (2R)-2-(6-methoxynaphthalen-2-yl)propanoic acid, 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member C3, ... | Authors: | Squire, C.J, Flanagan, J.U, Yosaatmadja, Y, Teague, R.M, Chai, M. | Deposit date: | 2011-11-01 | Release date: | 2012-08-15 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structures of three classes of non-steroidal anti-inflammatory drugs in complex with aldo-keto reductase 1C3. Plos One, 7, 2012
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1RY8
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![BU of 1ry8 by Molmil](/molmil-images/mine/1ry8) | Prostaglandin F synthase complexed with NADPH and rutin | Descriptor: | Aldo-keto reductase family 1 member C3, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, RUTIN | Authors: | Komoto, J, Yamada, T, Watanabe, K, Takusagawa, F. | Deposit date: | 2003-12-19 | Release date: | 2004-11-02 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Crystal structure of human prostaglandin F synthase (AKR1C3). Biochemistry, 43, 2004
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3ZM3
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![BU of 3zm3 by Molmil](/molmil-images/mine/3zm3) | Catalytic domain of human SHP2 | Descriptor: | TYROSINE-PROTEIN PHOSPHATASE NON-RECEPTOR TYPE 11 | Authors: | Bohm, K, Schuetz, A, Roske, Y, Heinemann, U. | Deposit date: | 2013-02-04 | Release date: | 2014-04-23 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Selective Inhibitors of the Protein Tyrosine Phosphatase Shp2 Block Cellular Motility and Growth of Cancer Cells in Vitro and in Vivo. Chemmedchem, 10, 2015
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1MEM
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1Q5A
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![BU of 1q5a by Molmil](/molmil-images/mine/1q5a) | S-shaped trans interactions of cadherins model based on fitting C-cadherin (1L3W) to 3D map of desmosomes obtained by electron tomography | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | He, W, Cowin, P, Stokes, D.L. | Deposit date: | 2003-08-06 | Release date: | 2003-10-07 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (30 Å) | Cite: | Untangling Desmosomal Knots with Electron Tomography Science, 302, 2003
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6IU9
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![BU of 6iu9 by Molmil](/molmil-images/mine/6iu9) | Crystal structure of cytoplasmic metal binding domain with iron ions | Descriptor: | FE (II) ION, VIT1, ZINC ION | Authors: | Kato, T, Nishizawa, T, Yamashita, K, Kumazaki, K, Ishitani, R, Nureki, O. | Deposit date: | 2018-11-27 | Release date: | 2019-02-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal structure of plant vacuolar iron transporter VIT1. Nat Plants, 5, 2019
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1Q55
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![BU of 1q55 by Molmil](/molmil-images/mine/1q55) | W-shaped trans interactions of cadherins model based on fitting C-cadherin (1L3W) to 3D map of desmosomes obtained by electron tomography | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | He, W, Cowin, P, Stokes, D.L. | Deposit date: | 2003-08-06 | Release date: | 2003-10-07 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (30 Å) | Cite: | Untangling Desmosomal Knots with Electron Tomography Science, 302, 2003
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4YZC
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![BU of 4yzc by Molmil](/molmil-images/mine/4yzc) | Crystal structure of pIRE1alpha in complex with staurosporine | Descriptor: | STAUROSPORINE, Serine/threonine-protein kinase/endoribonuclease IRE1 | Authors: | Concha, N.O. | Deposit date: | 2015-03-24 | Release date: | 2015-11-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.494 Å) | Cite: | Long-Range Inhibitor-Induced Conformational Regulation of Human IRE1 alpha Endoribonuclease Activity. Mol.Pharmacol., 88, 2015
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3ZM1
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![BU of 3zm1 by Molmil](/molmil-images/mine/3zm1) | Catalytic domain of human SHP2 | Descriptor: | TYROSINE-PROTEIN PHOSPHATASE NON-RECEPTOR TYPE 11 | Authors: | Bohm, K, Schuetz, A, Roske, Y, Heinemann, U. | Deposit date: | 2013-02-04 | Release date: | 2014-04-23 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Selective Inhibitors of the Protein Tyrosine Phosphatase Shp2 Block Cellular Motility and Growth of Cancer Cells in Vitro and in Vivo. Chemmedchem, 10, 2015
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7LOM
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![BU of 7lom by Molmil](/molmil-images/mine/7lom) | Ornithine Aminotransferase (OAT) soaked with its inactivator - (1S,3S)-3-amino-4-(difluoromethylene)cyclohexene-1-carboxylic acid | Descriptor: | (3~{S},4~{S})-4-methyl-3-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]cyclohexene-1-carboxylic acid, (4~{R})-4-(fluoranylmethyl)-3-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]cyclohexene-1-carboxylic acid, Ornithine aminotransferase, ... | Authors: | Butrin, A, Zhu, W, Liu, D, Silverman, R. | Deposit date: | 2021-02-10 | Release date: | 2021-08-25 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Remarkable and Unexpected Mechanism for ( S )-3-Amino-4-(difluoromethylenyl)cyclohex-1-ene-1-carboxylic Acid as a Selective Inactivator of Human Ornithine Aminotransferase. J.Am.Chem.Soc., 143, 2021
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