6FI8
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4JF5
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![BU of 4jf5 by Molmil](/molmil-images/mine/4jf5) | Structure of OXA-23 at pH 4.1 | Descriptor: | 1,2-ETHANEDIOL, Beta-lactamase, CITRATE ANION | Authors: | Smith, C.A, Vakulenko, S.B. | Deposit date: | 2013-02-27 | Release date: | 2013-09-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Structural Basis for Carbapenemase Activity of the OXA-23 beta-Lactamase from Acinetobacter baumannii. Chem.Biol., 20, 2013
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3PVL
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![BU of 3pvl by Molmil](/molmil-images/mine/3pvl) | Structure of myosin VIIa MyTH4-FERM-SH3 in complex with the CEN1 of Sans | Descriptor: | GLYCEROL, Myosin VIIa isoform 1, PHOSPHATE ION, ... | Authors: | Wu, L, Pan, L.F, Wei, Z.Y, Zhang, M.J. | Deposit date: | 2010-12-07 | Release date: | 2011-03-02 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure of MyTH4-FERM domains in myosin VIIa tail bound to cargo. Science, 331, 2011
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7BQ1
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![BU of 7bq1 by Molmil](/molmil-images/mine/7bq1) | X-ray structure of human PPARalpha ligand binding domain-intrinsic fatty acid (E. coli origin)-SRC1 coactivator peptide co-crystals obtained by co-crystallization | Descriptor: | 15-meric peptide from Nuclear receptor coactivator 1, GLYCEROL, PALMITIC ACID, ... | Authors: | Kamata, S, Ishikawa, R, Akahane, M, Oyama, T, Ishii, I. | Deposit date: | 2020-03-23 | Release date: | 2020-11-11 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.521 Å) | Cite: | PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates. Iscience, 23, 2020
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1K8F
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![BU of 1k8f by Molmil](/molmil-images/mine/1k8f) | CRYSTAL STRUCTURE OF THE HUMAN C-TERMINAL CAP1-ADENYLYL CYCLASE ASSOCIATED PROTEIN | Descriptor: | ADENYLYL CYCLASE-ASSOCIATED PROTEIN | Authors: | Patskovsky, Y.V, Chance, M, Almo, S.C, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2001-10-24 | Release date: | 2003-07-01 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure of the actin binding domain of the cyclase-associated protein. Biochemistry, 43, 2004
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7WJS
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![BU of 7wjs by Molmil](/molmil-images/mine/7wjs) | Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor Y13157 | Descriptor: | 2-(2-cyclobutyl-1~{H}-imidazol-5-yl)-7-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-5-methyl-furo[3,2-c]pyridin-4-one, Bromodomain-containing protein 4, GLYCEROL | Authors: | Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y. | Deposit date: | 2022-01-07 | Release date: | 2022-08-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.73 Å) | Cite: | Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors. J.Med.Chem., 65, 2022
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7WKY
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![BU of 7wky by Molmil](/molmil-images/mine/7wky) | Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor Y13153 | Descriptor: | 2-(2-cyclopentyl-1~{H}-imidazol-5-yl)-7-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-5-methyl-furo[3,2-c]pyridin-4-one, Bromodomain-containing protein 4, GLYCEROL | Authors: | Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y. | Deposit date: | 2022-01-12 | Release date: | 2022-08-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.83 Å) | Cite: | Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors. J.Med.Chem., 65, 2022
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7WMU
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![BU of 7wmu by Molmil](/molmil-images/mine/7wmu) | Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor Y13146 | Descriptor: | 1,2-ETHANEDIOL, Isoform 4 of Bromodomain-containing protein 2, ~{N}-[4-[2,4-bis(fluoranyl)phenoxy]-3-[2-(2-cyclobutyl-1~{H}-imidazol-5-yl)-5-methyl-4-oxidanylidene-furo[3,2-c]pyridin-7-yl]phenyl]ethanesulfonamide | Authors: | Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y. | Deposit date: | 2022-01-17 | Release date: | 2022-08-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors. J.Med.Chem., 65, 2022
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7WNI
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![BU of 7wni by Molmil](/molmil-images/mine/7wni) | Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor Y13158 | Descriptor: | 1,2-ETHANEDIOL, 7-[2-[2,4-bis(fluoranyl)phenoxy]-5-(2-oxidanylpropan-2-yl)phenyl]-2-[4-(2-hydroxyethyloxy)-3,5-dimethyl-phenyl]-5-methyl-furo[3,2-c]pyridin-4-one, DI(HYDROXYETHYL)ETHER, ... | Authors: | Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y. | Deposit date: | 2022-01-18 | Release date: | 2022-08-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.12 Å) | Cite: | Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors. J.Med.Chem., 65, 2022
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7WN5
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![BU of 7wn5 by Molmil](/molmil-images/mine/7wn5) | Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor Y13142 | Descriptor: | 1,2-ETHANEDIOL, Isoform 4 of Bromodomain-containing protein 2, POTASSIUM ION, ... | Authors: | Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y. | Deposit date: | 2022-01-17 | Release date: | 2022-08-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors. J.Med.Chem., 65, 2022
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7WLN
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![BU of 7wln by Molmil](/molmil-images/mine/7wln) | Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor Y13153 | Descriptor: | 2-(2-cyclopentyl-1~{H}-imidazol-5-yl)-7-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-5-methyl-furo[3,2-c]pyridin-4-one, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | Authors: | Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y. | Deposit date: | 2022-01-13 | Release date: | 2022-08-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors. J.Med.Chem., 65, 2022
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7WMQ
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![BU of 7wmq by Molmil](/molmil-images/mine/7wmq) | Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor Y13157 | Descriptor: | 2-(2-cyclobutyl-1~{H}-imidazol-5-yl)-7-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-5-methyl-furo[3,2-c]pyridin-4-one, FORMIC ACID, GLYCEROL, ... | Authors: | Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y. | Deposit date: | 2022-01-16 | Release date: | 2022-08-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors. J.Med.Chem., 65, 2022
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7WNA
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![BU of 7wna by Molmil](/molmil-images/mine/7wna) | Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor Y13120 | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Isoform 4 of Bromodomain-containing protein 2, ... | Authors: | Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y. | Deposit date: | 2022-01-17 | Release date: | 2022-08-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors. J.Med.Chem., 65, 2022
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6YRO
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![BU of 6yro by Molmil](/molmil-images/mine/6yro) | Streptococcus suis SadP mutant - N285D | Descriptor: | GLYCEROL, SODIUM ION, SadP | Authors: | Papageorgiou, A.C, Haataja, S. | Deposit date: | 2020-04-20 | Release date: | 2020-08-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | The binding mechanism of the virulence factor Streptococcus suis adhesin P subtype to globotetraosylceramide is associated with systemic disease. J.Biol.Chem., 295, 2020
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7BQ2
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![BU of 7bq2 by Molmil](/molmil-images/mine/7bq2) | X-ray structure of human PPARalpha ligand binding domain-pemafibrate-SRC1 coactivator peptide co-crystals obtained by soaking | Descriptor: | (2~{R})-2-[3-[[1,3-benzoxazol-2-yl-[3-(4-methoxyphenoxy)propyl]amino]methyl]phenoxy]butanoic acid, 15-meric peptide from Nuclear receptor coactivator 1, GLYCEROL, ... | Authors: | Kamata, S, Ishikawa, R, Akahane, M, Oyama, T, Ishii, I. | Deposit date: | 2020-03-23 | Release date: | 2020-11-11 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates. Iscience, 23, 2020
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7WN1
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![BU of 7wn1 by Molmil](/molmil-images/mine/7wn1) | Structure of PfNT1(Y190A) in complex with nanobody 48 and inosine | Descriptor: | Equilibrative nucleoside/nucleobase transporter, INOSINE, nanobody48 | Authors: | Wang, C, Deng, D, Ren, R.B, Yu, L.Y. | Deposit date: | 2022-01-17 | Release date: | 2023-02-01 | Last modified: | 2023-08-16 | Method: | ELECTRON MICROSCOPY (3.11 Å) | Cite: | Structural basis of the substrate recognition and inhibition mechanism of Plasmodium falciparum nucleoside transporter PfENT1. Nat Commun, 14, 2023
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2P6E
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2OSL
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![BU of 2osl by Molmil](/molmil-images/mine/2osl) | Crystal structure of Rituximab Fab in complex with an epitope peptide | Descriptor: | B-lymphocyte antigen CD20, heavy chain of the Rituximab Fab fragment,heavy chain of the Rituximab Fab fragment, light chain of the Rituximab Fab fragment,light chain of the Rituximab Fab fragment | Authors: | Du, J, Zhong, C, Ding, J. | Deposit date: | 2007-02-06 | Release date: | 2007-04-10 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural basis for recognition of CD20 by therapeutic antibody Rituximab J.Biol.Chem., 282, 2007
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7LA4
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![BU of 7la4 by Molmil](/molmil-images/mine/7la4) | Integrin AlphaIIbBeta3-PT25-2 Complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Bush, M.W, Walz, T, Coller, B, Filizola, M, Spasic, A, Nesic, D, Li, J. | Deposit date: | 2021-01-05 | Release date: | 2022-01-12 | Last modified: | 2022-07-27 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Electron microscopy shows that binding of monoclonal antibody PT25-2 primes integrin alpha IIb beta 3 for ligand binding. Blood Adv, 5, 2021
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7LBC
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![BU of 7lbc by Molmil](/molmil-images/mine/7lbc) | Structure of human GGT1 in complex with Lnt2-65 compound | Descriptor: | (2R)-2-[(2-aminoethyl)amino]-4-boronobutanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | Authors: | Terzyan, S.S, Hanigan, M. | Deposit date: | 2021-01-07 | Release date: | 2022-02-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Design and evaluation of novel analogs of 2-amino-4-boronobutanoic acid (ABBA) as inhibitors of human gamma-glutamyl transpeptidase. Bioorg.Med.Chem., 73, 2022
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6TYM
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![BU of 6tym by Molmil](/molmil-images/mine/6tym) | KEAP1 Kelch domain in complex with Compound 9 | Descriptor: | (3S)-3-[2-(benzenecarbonyl)-5-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl]-3-(1-ethyl-4-methyl-1H-benzotriazol-5-yl)propanoic acid, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Marcotte, D.J. | Deposit date: | 2019-08-09 | Release date: | 2020-01-15 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.422 Å) | Cite: | Design, synthesis and identification of novel, orally bioavailable non-covalent Nrf2 activators. Bioorg.Med.Chem.Lett., 30, 2020
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7LD9
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![BU of 7ld9 by Molmil](/molmil-images/mine/7ld9) | Structure of human GGT1 in complex with ABBA | Descriptor: | (2R)-2-amino-4-boronobutanoic acid, (2S)-2-amino-4-boronobutanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Terzyan, S.S, Hanigan, M. | Deposit date: | 2021-01-12 | Release date: | 2022-02-23 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Design and evaluation of novel analogs of 2-amino-4-boronobutanoic acid (ABBA) as inhibitors of human gamma-glutamyl transpeptidase. Bioorg.Med.Chem., 73, 2022
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7YDQ
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![BU of 7ydq by Molmil](/molmil-images/mine/7ydq) | Structure of PfNT1(Y190A)-GFP in complex with GSK4 | Descriptor: | 5-methyl-N-[2-(2-oxidanylideneazepan-1-yl)ethyl]-2-phenyl-1,3-oxazole-4-carboxamide, Nucleoside transporter 1,Green fluorescent protein | Authors: | Wang, C, Yu, L.Y, Li, J.L, Ren, R.B, Deng, D. | Deposit date: | 2022-07-04 | Release date: | 2023-04-26 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (4.04 Å) | Cite: | Structural basis of the substrate recognition and inhibition mechanism of Plasmodium falciparum nucleoside transporter PfENT1. Nat Commun, 14, 2023
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6TYP
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![BU of 6typ by Molmil](/molmil-images/mine/6typ) | KEAP1 Kelch domain in complex with Compound 2 | Descriptor: | (3S)-3-[2-(benzenecarbonyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]-3-(1-ethyl-4-methyl-1H-benzotriazol-5-yl)propanoic acid, FORMIC ACID, Kelch-like ECH-associated protein 1 | Authors: | Marcotte, D.J. | Deposit date: | 2019-08-09 | Release date: | 2020-01-15 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Design, synthesis and identification of novel, orally bioavailable non-covalent Nrf2 activators. Bioorg.Med.Chem.Lett., 30, 2020
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6Z8R
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![BU of 6z8r by Molmil](/molmil-images/mine/6z8r) | Copper transporter OprC | Descriptor: | COPPER (II) ION, Putative copper transport outer membrane porin OprC | Authors: | Bhamidimarri, S.P, van den Berg, B. | Deposit date: | 2020-06-02 | Release date: | 2021-06-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Acquisition of ionic copper by the bacterial outer membrane protein OprC through a novel binding site. Plos Biol., 19, 2021
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