8VVL
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![BU of 8vvl by Molmil](/molmil-images/mine/8vvl) | CCHFV GP38 bound to c13G8 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | Authors: | Hjorth, C.K, Mishra, A.K, McLellan, J.S. | Deposit date: | 2024-01-31 | Release date: | 2024-07-17 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crimean-Congo Hemorrhagic Fever Survivors Elicit Protective Non-Neutralizing Antibodies that Target 11 Overlapping Regions on Viral Glycoprotein GP38 To Be Published
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8RZ2
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8X22
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![BU of 8x22 by Molmil](/molmil-images/mine/8x22) | HIV-1 reverse transcriptase mutant Q151M/Y115F/F116Y/L74V:DNA:dGTP ternary complex | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, DNA/RNA (38-MER), GLYCEROL, ... | Authors: | Yasutake, Y, Hattori, S.I, Mitsuya, H. | Deposit date: | 2023-11-09 | Release date: | 2024-07-17 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Deviated binding of anti-HBV nucleoside analog E-CFCP-TP to the reverse transcriptase active site attenuates the effect of drug-resistant mutations. Sci Rep, 14, 2024
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9FII
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![BU of 9fii by Molmil](/molmil-images/mine/9fii) | Crystal Structure of oxidized NuoEF variant E222K(NuoF) from Aquifex aeolicus | Descriptor: | CHLORIDE ION, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ... | Authors: | Wohlwend, D, Friedrich, T, Goeppert-Asadollahpour, S. | Deposit date: | 2024-05-29 | Release date: | 2024-07-17 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural robustness of the NADH binding site in NADH:ubiquinone oxidoreductase (complex I). Biochim Biophys Acta Bioenerg, 1865, 2024
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8VKA
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![BU of 8vka by Molmil](/molmil-images/mine/8vka) | Crystal structure of Plasmodium vivax glycylpeptide N-tetradecanoyltransferase (N-myristoyltransferase, NMT) bound to myristoyl-CoA and inhibitor 9c | Descriptor: | 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, CHLORIDE ION, GLYCEROL, ... | Authors: | Fenwick, M.K, Staker, B.L, Phan, I.Q, Early, J, Myler, P.J, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | Deposit date: | 2024-01-08 | Release date: | 2024-07-17 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Exploring Subsite Selectivity within Plasmodium vivax N -Myristoyltransferase Using Pyrazole-Derived Inhibitors. J.Med.Chem., 67, 2024
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8VKB
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![BU of 8vkb by Molmil](/molmil-images/mine/8vkb) | Crystal structure of Plasmodium vivax glycylpeptide N-tetradecanoyltransferase (N-myristoyltransferase, NMT) bound to myristoyl-CoA and inhibitor 10b | Descriptor: | CHLORIDE ION, GLYCEROL, Glycylpeptide N-tetradecanoyltransferase, ... | Authors: | Fenwick, M.K, Staker, B.L, Phan, I.Q, Early, J, Myler, P.J, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | Deposit date: | 2024-01-08 | Release date: | 2024-07-17 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Exploring Subsite Selectivity within Plasmodium vivax N -Myristoyltransferase Using Pyrazole-Derived Inhibitors. J.Med.Chem., 67, 2024
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8TGF
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![BU of 8tgf by Molmil](/molmil-images/mine/8tgf) | Crystal structure of cEPG5 LIR/LGG-1 complex | Descriptor: | ACETATE ION, Ectopic P granules protein 5, Protein lgg-1 | Authors: | Cheung, Y.W.S, Yip, C.K. | Deposit date: | 2023-07-12 | Release date: | 2024-07-17 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Molecular basis of the mode of interaction between the tandem LC3-interacting region motif of the autophagy tethering factor EPG5 and ATG8 proteins To be published
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8V3N
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![BU of 8v3n by Molmil](/molmil-images/mine/8v3n) | CCP5 in complex with Glu-P-Glu transition state analog | Descriptor: | (2S)-2-{[(S)-[(3S)-3-acetamido-4-(ethylamino)-4-oxobutyl](hydroxy)phosphoryl]methyl}pentanedioic acid, Cytosolic carboxypeptidase-like protein 5, D-MALATE, ... | Authors: | Chen, J, Zehr, E.A, Gruschus, J.M, Szyk, A, Liu, Y, Tanner, M.E, Tjandra, N, Roll-Mecak, A. | Deposit date: | 2023-11-28 | Release date: | 2024-07-17 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Tubulin code eraser CCP5 binds branch glutamates by substrate deformation Nature, 2024
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7MU6
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![BU of 7mu6 by Molmil](/molmil-images/mine/7mu6) | Ask1 bound to compound 28 | Descriptor: | 2-methoxy-N-(6-{4-[(2S)-1,1,1-trifluoropropan-2-yl]-4H-1,2,4-triazol-3-yl}pyridin-2-yl)pyridine-3-carboxamide, Mitogen-activated protein kinase kinase kinase 5 | Authors: | Chodaparambil, J.V, Marcotte, D.J. | Deposit date: | 2021-05-14 | Release date: | 2024-07-17 | Method: | X-RAY DIFFRACTION (2.165 Å) | Cite: | Discovery of Potent, Selective, and Brain-Penetrant Apoptosis Signal-Regulating Kinase 1 (ASK1) Inhibitors that Modulate Brain Inflammation In Vivo. J.Med.Chem., 64, 2021
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8RZ0
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8TAV
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8U41
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8U42
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9FVT
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9BJ0
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9FDK
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![BU of 9fdk by Molmil](/molmil-images/mine/9fdk) | Crystal Structure of oxidized NuoEF variant R66G(NuoF) from Aquifex aeolicus | Descriptor: | 3[N-MORPHOLINO]PROPANE SULFONIC ACID, CHLORIDE ION, FE2/S2 (INORGANIC) CLUSTER, ... | Authors: | Wohlwend, D, Friedrich, T, Goeppert-Asadollahpour, S. | Deposit date: | 2024-05-17 | Release date: | 2024-07-17 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural robustness of the NADH binding site in NADH:ubiquinone oxidoreductase (complex I). Biochim Biophys Acta Bioenerg, 1865, 2024
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6JID
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![BU of 6jid by Molmil](/molmil-images/mine/6jid) | Human MTHFD2 in complex with Compound 1 | Descriptor: | 5-(4-oxo-2-phenyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6(4H)-carbonyl)-1,3-dihydro-2H-2lambda~6~,1-benzothiazole-2,2-dione, Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial, ... | Authors: | Suzuki, M, Matsui, Y, Matsuhashi, N, Kawai, J. | Deposit date: | 2019-02-20 | Release date: | 2019-06-05 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure-Based Design and Synthesis of an Isozyme-Selective MTHFD2 Inhibitor with a Tricyclic Coumarin Scaffold. Acs Med.Chem.Lett., 10, 2019
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1AKR
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![BU of 1akr by Molmil](/molmil-images/mine/1akr) | G61A OXIDIZED FLAVODOXIN MUTANT | Descriptor: | FLAVIN MONONUCLEOTIDE, FLAVODOXIN | Authors: | Mccarthy, A, Walsh, M, Higgins, T. | Deposit date: | 1997-05-27 | Release date: | 1998-05-27 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Modulation of the redox potentials of FMN in Desulfovibrio vulgaris flavodoxin: thermodynamic properties and crystal structures of glycine-61 mutants. Biochemistry, 37, 1998
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1AKW
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![BU of 1akw by Molmil](/molmil-images/mine/1akw) | G61L OXIDIZED FLAVODOXIN MUTANT | Descriptor: | FLAVIN MONONUCLEOTIDE, FLAVODOXIN | Authors: | Mccarthy, A, Walsh, M, Higgins, T. | Deposit date: | 1997-05-27 | Release date: | 1998-05-27 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Modulation of the redox potentials of FMN in Desulfovibrio vulgaris flavodoxin: thermodynamic properties and crystal structures of glycine-61 mutants. Biochemistry, 37, 1998
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6YD7
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6YD4
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6HI5
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![BU of 6hi5 by Molmil](/molmil-images/mine/6hi5) | The ATAD2 bromodomain in complex with compound 8 | Descriptor: | (2~{R})-2-azanyl-~{N}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]propanamide, ATPase family AAA domain-containing protein 2, SULFATE ION | Authors: | Sledz, P, Caflisch, A. | Deposit date: | 2018-08-29 | Release date: | 2019-02-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Hitting a Moving Target: Simulation and Crystallography Study of ATAD2 Bromodomain Blockers. Acs Med.Chem.Lett., 11, 2020
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6HIA
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![BU of 6hia by Molmil](/molmil-images/mine/6hia) | The ATAD2 bromodomain in complex with compound 13 | Descriptor: | (2~{R})-~{N}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]-2-carbamimidamido-propanamide, ATPase family AAA domain-containing protein 2, SULFATE ION | Authors: | Sledz, P, Caflisch, A. | Deposit date: | 2018-08-29 | Release date: | 2019-02-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.897 Å) | Cite: | Hitting a Moving Target: Simulation and Crystallography Study of ATAD2 Bromodomain Blockers. Acs Med.Chem.Lett., 11, 2020
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6HKZ
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![BU of 6hkz by Molmil](/molmil-images/mine/6hkz) | X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a inhibitor RNA 2-49-1 | Descriptor: | (2~{S})-2-[[(2~{S})-6-[2-[(6-fluoranylpyridin-3-yl)carbonylamino]ethyl-phenyl-amino]-1-oxidanyl-1,6-bis(oxidanylidene)hexan-2-yl]carbamoylamino]pentanedioic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Motlova, L, Novakova, Z, Barinka, C. | Deposit date: | 2018-09-09 | Release date: | 2018-12-05 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | 2-Aminoadipic Acid-C(O)-Glutamate Based Prostate-Specific Membrane Antigen Ligands for Potential Use as Theranostics. ACS Med Chem Lett, 9, 2018
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6HMX
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