6LQL
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![BU of 6lql by Molmil](/molmil-images/mine/6lql) | Complex structure of CHAO with product from Erythrobacteraceae bacterium | Descriptor: | 1-[(4-methoxyphenyl)methyl]-3,4,5,6,7,8-hexahydroisoquinoline, Amine oxidase, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | Huang, Z.D. | Deposit date: | 2020-01-14 | Release date: | 2020-06-03 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Asymmetric Synthesis of a Key Dextromethorphan Intermediate and Its Analogues Enabled by a New Cyclohexylamine Oxidase: Enzyme Discovery, Reaction Development, and Mechanistic Insight. J.Org.Chem., 85, 2020
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8URF
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7WY5
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![BU of 7wy5 by Molmil](/molmil-images/mine/7wy5) | ADGRL3/Gq complex | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Isoform 3 of Adhesion G protein-coupled receptor L3, ... | Authors: | He, Y, Qian, Y. | Deposit date: | 2022-02-15 | Release date: | 2022-10-26 | Last modified: | 2022-11-30 | Method: | ELECTRON MICROSCOPY (2.83 Å) | Cite: | Structural insights into adhesion GPCR ADGRL3 activation and Gq, Gs, Gi, and G12 coupling. Mol.Cell, 82, 2022
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7WYB
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![BU of 7wyb by Molmil](/molmil-images/mine/7wyb) | ADGRL3/Gi complex | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... | Authors: | He, Y, Qian, Y. | Deposit date: | 2022-02-15 | Release date: | 2022-10-26 | Last modified: | 2022-11-30 | Method: | ELECTRON MICROSCOPY (2.97 Å) | Cite: | Structural insights into adhesion GPCR ADGRL3 activation and G q , G s , G i , and G 12 coupling. Mol.Cell, 82, 2022
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7WY8
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![BU of 7wy8 by Molmil](/molmil-images/mine/7wy8) | ADGRL3/Gs complex | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Isoform 3 of Adhesion G protein-coupled receptor L3, ... | Authors: | He, Y, Qian, Y. | Deposit date: | 2022-02-15 | Release date: | 2022-10-26 | Last modified: | 2022-11-30 | Method: | ELECTRON MICROSCOPY (2.83 Å) | Cite: | Structural insights into adhesion GPCR ADGRL3 activation and Gq, Gs, Gi, and G12 coupling Mol.Cell, 82, 2022
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7X10
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![BU of 7x10 by Molmil](/molmil-images/mine/7x10) | ADGRL3/miniG12 complex | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Isoform 3 of Adhesion G protein-coupled receptor L3, ... | Authors: | He, Y, Qian, Y. | Deposit date: | 2022-02-22 | Release date: | 2022-11-09 | Last modified: | 2022-11-30 | Method: | ELECTRON MICROSCOPY (2.93 Å) | Cite: | Structural insights into adhesion GPCR ADGRL3 activation and Gq, Gs, Gi, and G12 coupling. Mol.Cell, 82, 2022
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7XR4
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7XR6
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![BU of 7xr6 by Molmil](/molmil-images/mine/7xr6) | Structure of human excitatory amino acid transporter 2 (EAAT2) in complex with WAY-213613 | Descriptor: | (2S)-2-azanyl-4-[[4-[2-bromanyl-4,5-bis(fluoranyl)phenoxy]phenyl]amino]-4-oxidanylidene-butanoic acid, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CHOLESTEROL HEMISUCCINATE, ... | Authors: | Zhao, Y, Zhang, Z. | Deposit date: | 2022-05-09 | Release date: | 2022-06-22 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structural basis of ligand binding modes of human EAAT2. Nat Commun, 13, 2022
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6O9D
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![BU of 6o9d by Molmil](/molmil-images/mine/6o9d) | Structure of the IRAK4 kinase domain with compound 5 | Descriptor: | Interleukin-1 receptor-associated kinase 4, N-{7-[4-(aminomethyl)piperidin-1-yl]quinolin-6-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide | Authors: | Yu, C, Drobnick, J, Bryan, M.C, Kiefer, J, Lupardus, P.J. | Deposit date: | 2019-03-13 | Release date: | 2019-05-22 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Development of Potent and Selective Pyrazolopyrimidine IRAK4 Inhibitors. J.Med.Chem., 62, 2019
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6O8U
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![BU of 6o8u by Molmil](/molmil-images/mine/6o8u) | Crystal structure of IRAK4 in complex with compound 23 | Descriptor: | GLYCEROL, Interleukin-1 receptor-associated kinase 4, N-[2,2-dimethyl-6-(morpholin-4-yl)-2,3-dihydro-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide, ... | Authors: | Kiefer, J.R, Yu, C, Drobnick, J, Bryan, M.C, Lupardus, P.J. | Deposit date: | 2019-03-12 | Release date: | 2019-05-22 | Last modified: | 2019-07-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Development of Potent and Selective Pyrazolopyrimidine IRAK4 Inhibitors. J.Med.Chem., 62, 2019
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6O94
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![BU of 6o94 by Molmil](/molmil-images/mine/6o94) | Structure of the IRAK4 kinase domain with compound 17 | Descriptor: | CALCIUM ION, Interleukin-1 receptor-associated kinase 4, N-{5-[4-(hydroxymethyl)piperidin-1-yl]-1-methyl-2-(morpholin-4-yl)-1H-benzimidazol-6-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide | Authors: | Yu, C, Drobnick, J, Bryan, M.C, Kiefer, J, Lupardus, P.J. | Deposit date: | 2019-03-13 | Release date: | 2019-05-22 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Development of Potent and Selective Pyrazolopyrimidine IRAK4 Inhibitors. J.Med.Chem., 62, 2019
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1I5U
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![BU of 1i5u by Molmil](/molmil-images/mine/1i5u) | SOLUTION STRUCTURE OF CYTOCHROME B5 TRIPLE MUTANT (E48A/E56A/D60A) | Descriptor: | CYTOCHROME B5, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Qian, C, Yao, Y, Tang, W, Wang, J, Zhongxian, H. | Deposit date: | 2001-02-28 | Release date: | 2001-03-21 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Effects of charged amino-acid mutation on the solution structure of cytochrome b(5) and binding between cytochrome b(5) and cytochrome c. Protein Sci., 10, 2001
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7RWI
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![BU of 7rwi by Molmil](/molmil-images/mine/7rwi) | Mycobacterium tuberculosis RNA polymerase sigma L holoenzyme open promoter complex containing TNP-2198 | Descriptor: | (3aM,9S,10bP,14S,15R,16S,17R,18R,19R,20S,21S,25R)-6,18,20-trihydroxy-14-methoxy-7,9,15,17,19,21,25-heptamethyl-1'-[2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl]-5,10,26-trioxo-3,5,9,10-tetrahydrospiro[9,4-(epoxypentadecanoimino)furo[2',3':7,8]naphtho[1,2-d]imidazole-2,4'-piperidin]-16-yl acetate, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ... | Authors: | Molodtsov, V, Ebright, R.H. | Deposit date: | 2021-08-19 | Release date: | 2022-03-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.7 Å) | Cite: | Design, Synthesis, and Characterization of TNP-2198, a Dual-Targeted Rifamycin-Nitroimidazole Conjugate with Potent Activity against Microaerophilic and Anaerobic Bacterial Pathogens. J.Med.Chem., 65, 2022
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6O95
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![BU of 6o95 by Molmil](/molmil-images/mine/6o95) | Structure of the IRAK4 kinase domain with compound 41 | Descriptor: | Interleukin-1 receptor-associated kinase 4, N-[(2R)-2-(hydroxymethyl)-2-methyl-6-(morpholin-4-yl)-2,3-dihydro-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide, SULFATE ION | Authors: | Yu, C, Drobnick, J, Bryan, M.C, Kiefer, J, Lupardus, P.J. | Deposit date: | 2019-03-13 | Release date: | 2019-05-22 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Development of Potent and Selective Pyrazolopyrimidine IRAK4 Inhibitors. J.Med.Chem., 62, 2019
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6IMK
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![BU of 6imk by Molmil](/molmil-images/mine/6imk) | The crystal structure of AsfvLIG:CG complex | Descriptor: | DNA (5'-D(*CP*CP*AP*GP*TP*CP*CP*GP*AP*CP*CP*CP*GP*CP*AP*TP*CP*CP*CP*GP*GP*A)-3'), DNA (5'-D(*TP*CP*CP*GP*GP*GP*AP*TP*GP*CP*GP*G)-3'), DNA (5'-D(P*GP*TP*CP*GP*GP*AP*CP*TP*GP*G)-3'), ... | Authors: | Chen, Y.Q, Gan, J.H. | Deposit date: | 2018-10-23 | Release date: | 2019-02-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.502 Å) | Cite: | Structure of the error-prone DNA ligase of African swine fever virus identifies critical active site residues. Nat Commun, 10, 2019
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6IMN
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![BU of 6imn by Molmil](/molmil-images/mine/6imn) | The crystal structure of AsfvLIG:CT2 complex | Descriptor: | CHLORIDE ION, DNA (5'-D(*CP*CP*AP*GP*TP*CP*CP*GP*AP*CP*CP*CP*GP*CP*AP*TP*CP*CP*CP*GP*GP*A)-3'), DNA (5'-D(*TP*CP*CP*GP*GP*GP*AP*TP*GP*CP*GP*TP*GP*TP*CP*GP*GP*AP*CP*TP*GP*G)-3'), ... | Authors: | Chen, Y.Q, Gan, J.H. | Deposit date: | 2018-10-23 | Release date: | 2019-02-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure of the error-prone DNA ligase of African swine fever virus identifies critical active site residues. Nat Commun, 10, 2019
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6IML
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![BU of 6iml by Molmil](/molmil-images/mine/6iml) | The crystal structure of AsfvLIG:CT1 complex | Descriptor: | DNA (5'-D(*CP*CP*AP*GP*TP*CP*CP*GP*AP*CP*CP*CP*GP*CP*AP*TP*CP*CP*CP*GP*GP*A)-3'), DNA (5'-D(*TP*CP*CP*GP*GP*GP*AP*TP*GP*CP*GP*T)-3'), DNA (5'-D(P*GP*TP*CP*GP*GP*AP*CP*TP*GP*G)-3'), ... | Authors: | Chen, Y.Q, Gan, J.H. | Deposit date: | 2018-10-23 | Release date: | 2019-02-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structure of the error-prone DNA ligase of African swine fever virus identifies critical active site residues. Nat Commun, 10, 2019
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6IMJ
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![BU of 6imj by Molmil](/molmil-images/mine/6imj) | The crystal structure of Se-AsfvLIG:DNA complex | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CADMIUM ION, CHLORIDE ION, ... | Authors: | Chen, Y.Q, Gan, J.H. | Deposit date: | 2018-10-23 | Release date: | 2019-02-27 | Method: | X-RAY DIFFRACTION (2.554 Å) | Cite: | Structure of the error-prone DNA ligase of African swine fever virus identifies critical active site residues. Nat Commun, 10, 2019
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6ITS
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8JU6
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![BU of 8ju6 by Molmil](/molmil-images/mine/8ju6) | Structure of human TRPV4 with antagonist GSK279 | Descriptor: | 1-({(5S,7S)-3-[5-(2-hydroxypropan-2-yl)pyrazin-2-yl]-7-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decan-7-yl}methyl)-1H-benzimidazole-6-carbonitrile, Transient receptor potential cation channel subfamily V member 4,3C-GFP | Authors: | Fan, J, Lei, X. | Deposit date: | 2023-06-24 | Release date: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (3.45 Å) | Cite: | Structural Pharmacology of TRPV4 Antagonists. Adv Sci, 2024
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8JU5
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![BU of 8ju5 by Molmil](/molmil-images/mine/8ju5) | Structure of human TRPV4 with antagonist A1 | Descriptor: | 4-[(3~{S},4~{S})-4-(aminomethyl)-1-(5-chloranylpyridin-2-yl)sulfonyl-4-oxidanyl-pyrrolidin-3-yl]oxy-2-fluoranyl-benzenecarbonitrile, Transient receptor potential cation channel subfamily V member 4,3C-GFP | Authors: | Fan, J, Lei, X. | Deposit date: | 2023-06-24 | Release date: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (3.74 Å) | Cite: | Structural Pharmacology of TRPV4 Antagonists. Adv Sci, 2024
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8JVJ
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![BU of 8jvj by Molmil](/molmil-images/mine/8jvj) | Structure of human TRPV4 with antagonist A2 and RhoA | Descriptor: | Transforming protein RhoA, Transient receptor potential cation channel subfamily V member 4,3C-GFP, [6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridin-3-yl]-[(1~{S},5~{R})-3-[5-(trifluoromethyl)pyrimidin-2-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone | Authors: | Fan, J, Lei, X. | Deposit date: | 2023-06-28 | Release date: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (3.44 Å) | Cite: | Structural Pharmacology of TRPV4 Antagonists. Adv Sci, 2024
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5JRE
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![BU of 5jre by Molmil](/molmil-images/mine/5jre) | Crystal structure of NeC3PO in complex with ssDNA. | Descriptor: | 9-METHYL-9H-PURIN-6-AMINE, ADENINE, NEQ131, ... | Authors: | Gan, J, Zhang, J. | Deposit date: | 2016-05-06 | Release date: | 2016-09-28 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural basis for single-stranded RNA recognition and cleavage by C3PO Nucleic Acids Res., 44, 2016
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8JVI
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![BU of 8jvi by Molmil](/molmil-images/mine/8jvi) | Structure of human TRPV4 with antagonist A2 | Descriptor: | Transient receptor potential cation channel subfamily V member 4,3C-GFP, [6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridin-3-yl]-[(1~{S},5~{R})-3-[5-(trifluoromethyl)pyrimidin-2-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone | Authors: | Fan, J, Lei, X. | Deposit date: | 2023-06-28 | Release date: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (3.21 Å) | Cite: | Structural Pharmacology of TRPV4 Antagonists. Adv Sci, 2024
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5JWC
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![BU of 5jwc by Molmil](/molmil-images/mine/5jwc) | Structure of NDH2 from plasmodium falciparum in complex with RYL-552 | Descriptor: | 5-fluoro-3-methyl-2-{4-[4-(trifluoromethoxy)benzyl]phenyl}quinolin-4(1H)-one, FLAVIN-ADENINE DINUCLEOTIDE, FRAGMENT OF TRITON X-100, ... | Authors: | Yu, Y. | Deposit date: | 2016-05-12 | Release date: | 2017-03-22 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.051 Å) | Cite: | Target Elucidation by Cocrystal Structures of NADH-Ubiquinone Oxidoreductase of Plasmodium falciparum (PfNDH2) with Small Molecule To Eliminate Drug-Resistant Malaria J. Med. Chem., 60, 2017
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