5NKF
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![BU of 5nkf by Molmil](/molmil-images/mine/5nkf) | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 3b | Descriptor: | Ephrin type-A receptor 2, ~{N}-(2-chloranyl-6-methyl-phenyl)-2-[[3-(piperidin-4-ylcarbamoyl)-5-(trifluoromethyl)phenyl]amino]-1,3-thiazole-5-carboxamide | Authors: | Kudlinzki, D, Linhard, V.L, Witt, K, Gande, S.L, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H. | Deposit date: | 2017-03-31 | Release date: | 2017-06-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.099 Å) | Cite: | Chemoproteomics-Aided Medicinal Chemistry for the Discovery of EPHA2 Inhibitors. ChemMedChem, 12, 2017
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5NK3
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![BU of 5nk3 by Molmil](/molmil-images/mine/5nk3) | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 1l | Descriptor: | 1,2-ETHANEDIOL, Ephrin type-A receptor 2, ~{N}-(2-chloranyl-6-methyl-phenyl)-2-[[3-[[(3~{S})-pyrrolidin-3-yl]carbamoyl]phenyl]amino]-1,3-thiazole-5-carboxamide | Authors: | Kudlinzki, D, Linhard, V.L, Witt, K, Gande, S.L, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H. | Deposit date: | 2017-03-31 | Release date: | 2017-06-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.586 Å) | Cite: | Chemoproteomics-Aided Medicinal Chemistry for the Discovery of EPHA2 Inhibitors. ChemMedChem, 12, 2017
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5NKC
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![BU of 5nkc by Molmil](/molmil-images/mine/5nkc) | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 2h | Descriptor: | (3~{S})-1-[3-[[5-[(2-chloranyl-6-methyl-phenyl)carbamoyl]-1,3-thiazol-2-yl]amino]phenyl]carbonylpyrrolidine-3-carboxylic acid, 1,2-ETHANEDIOL, Ephrin type-A receptor 2 | Authors: | Kudlinzki, D, Linhard, V.L, Witt, K, Gande, S.L, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H. | Deposit date: | 2017-03-31 | Release date: | 2017-06-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.448 Å) | Cite: | Chemoproteomics-Aided Medicinal Chemistry for the Discovery of EPHA2 Inhibitors. ChemMedChem, 12, 2017
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5NK9
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![BU of 5nk9 by Molmil](/molmil-images/mine/5nk9) | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 2e | Descriptor: | (2~{Z})-~{N}-(2-chloranyl-6-methyl-phenyl)-2-[3-[(4-methyl-4-oxidanyl-cyclohexyl)carbamoyl]phenyl]imino-1,3-thiazolidine-5-carboxamide, Ephrin type-A receptor 2 | Authors: | Kudlinzki, D, Linhard, V.L, Witt, K, Gande, S.L, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H. | Deposit date: | 2017-03-31 | Release date: | 2017-06-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.588 Å) | Cite: | Chemoproteomics-Aided Medicinal Chemistry for the Discovery of EPHA2 Inhibitors. ChemMedChem, 12, 2017
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5NKI
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![BU of 5nki by Molmil](/molmil-images/mine/5nki) | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 4b | Descriptor: | Ephrin type-A receptor 2, ~{N}-(2-chloranyl-6-methyl-phenyl)-2-[(3-methylsulfonyl-5-morpholin-4-yl-phenyl)amino]-1,3-thiazole-5-carboxamide | Authors: | Kudlinzki, D, Linhard, V.L, Witt, K, Gande, S.L, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H. | Deposit date: | 2017-03-31 | Release date: | 2017-06-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.675 Å) | Cite: | Chemoproteomics-Aided Medicinal Chemistry for the Discovery of EPHA2 Inhibitors. ChemMedChem, 12, 2017
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5NKE
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![BU of 5nke by Molmil](/molmil-images/mine/5nke) | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 3a | Descriptor: | 2-[[3-bromanyl-5-(piperidin-4-ylcarbamoyl)phenyl]amino]-~{N}-(2-chloranyl-6-methyl-phenyl)-1,3-thiazole-5-carboxamide, Ephrin type-A receptor 2 | Authors: | Kudlinzki, D, Linhard, V.L, Witt, K, Gande, S.L, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H. | Deposit date: | 2017-03-31 | Release date: | 2017-06-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | Chemoproteomics-Aided Medicinal Chemistry for the Discovery of EPHA2 Inhibitors. ChemMedChem, 12, 2017
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8WIK
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![BU of 8wik by Molmil](/molmil-images/mine/8wik) | Crystal structure of human FSP1 | Descriptor: | 6-HYDROXY-FLAVIN-ADENINE DINUCLEOTIDE, Ferroptosis suppressor protein 1, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Feng, S, Huang, X, Tang, D, Qi, S. | Deposit date: | 2023-09-24 | Release date: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The crystal structure of human ferroptosis suppressive protein 1 in complex with flavin adenine dinucleotide and nicotinamide adenine nucleotide. MedComm (2020), 5, 2024
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1C40
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![BU of 1c40 by Molmil](/molmil-images/mine/1c40) | BAR-HEADED GOOSE HEMOGLOBIN (AQUOMET FORM) | Descriptor: | PROTEIN (HEMOGLOBIN (ALPHA CHAIN)), PROTEIN (HEMOGLOBIN (BETA CHAIN)), PROTOPORPHYRIN IX CONTAINING FE | Authors: | Li, S, Liu, X, Jing, H, Hua, Z, Zhang, R, Lu, G. | Deposit date: | 1999-08-03 | Release date: | 1999-08-09 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Avian haemoglobins and structural basis of high affinity for oxygen: structure of bar-headed goose aquomet haemoglobin. Acta Crystallogr.,Sect.D, 57, 2001
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8KHQ
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![BU of 8khq by Molmil](/molmil-images/mine/8khq) | Bifunctional sulfoxide synthase OvoA_Th2 in complex with histidine and cysteine | Descriptor: | 5-histidylcysteine sulfoxide synthase/putative 4-mercaptohistidine N1-methyltranferase, COBALT (II) ION, CYSTEINE, ... | Authors: | Wang, J, Ye, K, Wang, X.Y, Yan, W.P. | Deposit date: | 2023-08-22 | Release date: | 2023-12-06 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | Biochemical and Structural Characterization of OvoA Th2 : A Mononuclear Nonheme Iron Enzyme from Hydrogenimonas thermophila for Ovothiol Biosynthesis. Acs Catalysis, 13, 2023
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5C90
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![BU of 5c90 by Molmil](/molmil-images/mine/5c90) | Staphylococcus aureus ClpP mutant - Y63A | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ATP-dependent Clp protease proteolytic subunit | Authors: | Ye, F, Liu, H, Zhang, J, Gan, J, Yang, C.-G. | Deposit date: | 2015-06-26 | Release date: | 2016-05-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Characterization of Gain-of-Function Mutant Provides New Insights into ClpP Structure Acs Chem.Biol., 11, 2016
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5HU9
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![BU of 5hu9 by Molmil](/molmil-images/mine/5hu9) | Crystal structure of ABL1 in complex with CHMFL-074 | Descriptor: | 1,2-ETHANEDIOL, 4-[(4-methylpiperazin-1-yl)methyl]-N-(4-methyl-3-{[1-(pyridin-3-ylcarbonyl)piperidin-4-yl]oxy}phenyl)-3-(trifluoromethyl)benzamide, CHLORIDE ION, ... | Authors: | Kong, L.L, Yun, C.H. | Deposit date: | 2016-01-27 | Release date: | 2016-07-13 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.529 Å) | Cite: | Discovery and characterization of a novel potent type II native and mutant BCR-ABL inhibitor (CHMFL-074) for Chronic Myeloid Leukemia (CML) Oncotarget, 7, 2016
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7XV9
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![BU of 7xv9 by Molmil](/molmil-images/mine/7xv9) | Crystal structure of the Human TR4 DNA-Binding Domain | Descriptor: | Nuclear receptor subfamily 2 group C member 2, ZINC ION | Authors: | Liu, Y, Chen, Z. | Deposit date: | 2022-05-21 | Release date: | 2022-12-28 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.599 Å) | Cite: | Structures of human TR4LBD-JAZF1 and TR4DBD-DNA complexes reveal the molecular basis of transcriptional regulation. Nucleic Acids Res., 51, 2023
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7XV8
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![BU of 7xv8 by Molmil](/molmil-images/mine/7xv8) | Crystal structure of the Human TR4 DNA-Binding Domain Homodimer Bound to DR1 Response Element | Descriptor: | DNA (5'-D(*CP*TP*GP*AP*CP*CP*TP*TP*TP*GP*AP*CP*CP*TP*CP*TP*GP*C)-3'), DNA (5'-D(*GP*GP*CP*AP*GP*AP*GP*GP*TP*CP*AP*AP*AP*GP*GP*TP*CP*A)-3'), Nuclear receptor subfamily 2 group C member 2, ... | Authors: | Liu, Y, Chen, Z. | Deposit date: | 2022-05-21 | Release date: | 2022-12-28 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.199 Å) | Cite: | Structures of human TR4LBD-JAZF1 and TR4DBD-DNA complexes reveal the molecular basis of transcriptional regulation. Nucleic Acids Res., 51, 2023
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7XV6
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![BU of 7xv6 by Molmil](/molmil-images/mine/7xv6) | |
7XVA
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![BU of 7xva by Molmil](/molmil-images/mine/7xva) | |
2MYP
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![BU of 2myp by Molmil](/molmil-images/mine/2myp) | |
2MYT
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![BU of 2myt by Molmil](/molmil-images/mine/2myt) | An arsenate reductase in the intermediate state | Descriptor: | Glutaredoxin arsenate reductase | Authors: | Jin, C, Yu, C, Hu, C, Hu, Y. | Deposit date: | 2015-01-30 | Release date: | 2015-08-05 | Last modified: | 2015-09-23 | Method: | SOLUTION NMR | Cite: | A Hybrid Mechanism for the Synechocystis Arsenate Reductase Revealed by Structural Snapshots during Arsenate Reduction. J.Biol.Chem., 290, 2015
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5UF7
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![BU of 5uf7 by Molmil](/molmil-images/mine/5uf7) | CRYSTAL STRUCTURE OF MUNC13-1 MUN DOMAIN | Descriptor: | Protein unc-13 homolog A | Authors: | Tomchick, D.R, Rizo, J, Xu, J. | Deposit date: | 2017-01-03 | Release date: | 2017-02-15 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.896 Å) | Cite: | Mechanistic insights into neurotransmitter release and presynaptic plasticity from the crystal structure of Munc13-1 C1C2BMUN. Elife, 6, 2017
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5UE8
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![BU of 5ue8 by Molmil](/molmil-images/mine/5ue8) | The crystal structure of Munc13-1 C1C2BMUN domain | Descriptor: | CHLORIDE ION, Protein unc-13 homolog A, ZINC ION | Authors: | Tomchick, D.R, Rizo, J, Xu, J. | Deposit date: | 2016-12-29 | Release date: | 2017-02-15 | Last modified: | 2018-03-28 | Method: | X-RAY DIFFRACTION (3.35 Å) | Cite: | Mechanistic insights into neurotransmitter release and presynaptic plasticity from the crystal structure of Munc13-1 C1C2BMUN. Elife, 6, 2017
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3EIR
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![BU of 3eir by Molmil](/molmil-images/mine/3eir) | |
2MYN
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![BU of 2myn by Molmil](/molmil-images/mine/2myn) | An arsenate reductase in reduced state | Descriptor: | Glutaredoxin arsenate reductase | Authors: | Jin, C, Yu, C, Hu, C, Hu, Y. | Deposit date: | 2015-01-30 | Release date: | 2015-08-05 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | A Hybrid Mechanism for the Synechocystis Arsenate Reductase Revealed by Structural Snapshots during Arsenate Reduction. J.Biol.Chem., 290, 2015
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3K6B
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![BU of 3k6b by Molmil](/molmil-images/mine/3k6b) | X-ray crystal structure of the E2 domain of APL-1 from C. elegans, in complex with sucrose octasulfate (SOS) | Descriptor: | 2,3,4,6-tetra-O-sulfonato-alpha-D-glucopyranose, Beta-amyloid-like protein | Authors: | Hoopes, J.T, Ha, Y. | Deposit date: | 2009-10-08 | Release date: | 2009-11-10 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural characterization of the E2 domain of APL-1, a Caenorhabditis elegans homolog of human amyloid precursor protein, and its heparin binding site J.Biol.Chem., 285, 2010
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2MK5
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![BU of 2mk5 by Molmil](/molmil-images/mine/2mk5) | Solution structure of a protein domain | Descriptor: | Endolysin | Authors: | Feng, Y, Gu, J. | Deposit date: | 2014-01-24 | Release date: | 2014-05-28 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Structural and biochemical characterization reveals LysGH15 as an unprecedented "EF-hand-like" calcium-binding phage lysin. Plos Pathog., 10, 2014
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3K66
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![BU of 3k66 by Molmil](/molmil-images/mine/3k66) | X-ray crystal structure of the E2 domain of C. elegans APL-1 | Descriptor: | Beta-amyloid-like protein | Authors: | Hoopes, J.T, Ha, Y. | Deposit date: | 2009-10-08 | Release date: | 2009-11-10 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural characterization of the E2 domain of APL-1, a Caenorhabditis elegans homolog of human amyloid precursor protein, and its heparin binding site J.Biol.Chem., 285, 2010
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2MYU
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![BU of 2myu by Molmil](/molmil-images/mine/2myu) | An arsenate reductase in oxidized state | Descriptor: | Glutaredoxin arsenate reductase | Authors: | Jin, C, Hu, C, Hu, Y. | Deposit date: | 2015-01-30 | Release date: | 2015-08-05 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | A Hybrid Mechanism for the Synechocystis Arsenate Reductase Revealed by Structural Snapshots during Arsenate Reduction. J.Biol.Chem., 290, 2015
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