6OD2
 
 | | Yeast Spc42 C-terminal Antiparallel Coiled-Coil | | Descriptor: | Spindle pole body component SPC42 | | Authors: | Drennan, A.C, Krishna, S, Seeger, M.A, Andreas, M.P, Gardner, J.M, Sether, E.K.R, Jaspersen, S.L, Rayment, I. | | Deposit date: | 2019-03-25 | | Release date: | 2019-04-24 | | Last modified: | 2020-01-01 | | Method: | X-RAY DIFFRACTION (2.435 Å) | | Cite: | Structure and function of Spc42 coiled-coils in yeast centrosome assembly and duplication.
Mol.Biol.Cell, 30, 2019
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6K92
 | | Pyridoxal Kinase from Leishmania donovani in complex with ADP and Ginkgotoxin | | Descriptor: | 5-(hydroxymethyl)-4-(methoxymethyl)-2-methylpyridin-3-ol, ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, ... | | Authors: | Are, S, Gatreddi, S, Qureshi, I.A. | | Deposit date: | 2019-06-13 | | Release date: | 2020-03-25 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structural attributes and substrate specificity of pyridoxal kinase from Leishmania donovani.
Int.J.Biol.Macromol., 152, 2020
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6OGR
 | | X-ray crystal structure of darunavir-resistant HIV-1 protease (P30) in complex with GRL-142 | | Descriptor: | (3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl [(2S,3R)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]carbamate, 1,2-ETHANEDIOL, Protease | | Authors: | Bulut, H, Hattori, S.I, Aoki-Ogata, H, Hayashi, H, Aoki, M, Ghosh, A.K, Mitsuya, H. | | Deposit date: | 2019-04-03 | | Release date: | 2020-04-08 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.28 Å) | | Cite: | Novel HIV-1 protease inhibitors, GRL-142 and its analogs, markedly adapt to the structural plasticity of HIV-1 protease and exerts extreme potency with high genetic barrier
To Be Published
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6E3H
 | | Crystal structure of S9-3-37 bound to H5 influenza hemagglutinin | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1, ... | | Authors: | Wu, N.C, Wilson, I.A. | | Deposit date: | 2018-07-14 | | Release date: | 2018-09-26 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | The D3-9 gene segment encodes for recurring and adaptable binding motifs in broadly neutralizing antibodies to influenza virus
Cell Host Microbe, 2018
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4XKD
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6KB4
 | | X-ray structure of human PPARalpha ligand binding domain-pemafibrate co-crystals obtained by delipidation and cross-seeding | | Descriptor: | (2~{R})-2-[3-[[1,3-benzoxazol-2-yl-[3-(4-methoxyphenoxy)propyl]amino]methyl]phenoxy]butanoic acid, GLYCEROL, Peroxisome proliferator-activated receptor alpha | | Authors: | Kamata, S, Saito, K, Honda, A, Ishikawa, R, Oyama, T, Ishii, I. | | Deposit date: | 2019-06-24 | | Release date: | 2020-11-11 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates.
Iscience, 23, 2020
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6OMU
 | | Structure of human Bruton's Tyrosine Kinase in complex with Evobrutinib | | Descriptor: | 1-[4-({[6-amino-5-(4-phenoxyphenyl)pyrimidin-4-yl]amino}methyl)piperidin-1-yl]prop-2-en-1-one, CHLORIDE ION, Tyrosine-protein kinase BTK | | Authors: | Mochalkin, I, Gardberg, A.S. | | Deposit date: | 2019-04-19 | | Release date: | 2019-08-14 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.41 Å) | | Cite: | Discovery of Evobrutinib: An Oral, Potent, and Highly Selective, Covalent Bruton's Tyrosine Kinase (BTK) Inhibitor for the Treatment of Immunological Diseases.
J.Med.Chem., 62, 2019
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6K8Z
 | | Pyridoxal Kinase from Leishmania donovani in complex with ADP | | Descriptor: | ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, ... | | Authors: | Are, S, Gatreddi, S, Qureshi, I.A. | | Deposit date: | 2019-06-13 | | Release date: | 2020-03-25 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural attributes and substrate specificity of pyridoxal kinase from Leishmania donovani.
Int.J.Biol.Macromol., 152, 2020
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5MG0
 | | Structure of PAS-GAF fragment of Deinococcus phytochrome by serial femtosecond crystallography | | Descriptor: | 1,2-ETHANEDIOL, 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, Bacteriophytochrome, ... | | Authors: | Burgie, E.S, Fuller, F.D, Gul, S, Miller, M.D, Young, I.D, Brewster, A.S, Clinger, J, Aller, P, Braeuer, P, Hutchison, C, Alonso-Mori, R, Kern, J, Yachandra, V.K, Yano, J, Sauter, N.K, Phillips Jr, G.N, Vierstra, R.D, Orville, A.M. | | Deposit date: | 2016-11-20 | | Release date: | 2017-02-22 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Drop-on-demand sample delivery for studying biocatalysts in action at X-ray free-electron lasers.
Nat. Methods, 14, 2017
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1HF4
 | | STRUCTURAL EFFECTS OF MONOVALENT ANIONS ON POLYMORPHIC LYSOZYME CRYSTALS | | Descriptor: | LYSOZYME, NITRATE ION, SODIUM ION | | Authors: | Vaney, M.C, Broutin, I, Ries-Kautt, M, Ducruix, A. | | Deposit date: | 2000-11-29 | | Release date: | 2001-01-07 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Structural Effects of Monovalent Anions on Polymorphic Lysozyme Crystals
Acta Crystallogr.,Sect.D, 57, 2001
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2VZI
 | | Crystal structure of the C-terminal calponin homology domain of alpha- parvin in complex with paxillin LD4 motif | | Descriptor: | 1,2-ETHANEDIOL, Alpha-parvin, Paxillin,Paxillin, ... | | Authors: | Lorenz, S, Vakonakis, I, Lowe, E.D, Campbell, I.D, Noble, M.E.M, Hoellerer, M.K. | | Deposit date: | 2008-08-01 | | Release date: | 2008-10-28 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural analysis of the interactions between paxillin LD motifs and alpha-parvin.
Structure, 16, 2008
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6E3E
 | | Structure of RORgt in complex with a novel inverse agonist. | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 5-[(5R)-5-[(7-fluoro-1,1-dimethyl-2,3-dihydro-1H-inden-5-yl)carbamoyl]-2-methoxy-7,8-dihydro-1,6-naphthyridin-6(5H)-yl]-5-oxopentanoic acid, Nuclear receptor ROR-gamma, ... | | Authors: | Skene, R.J, Hoffman, I. | | Deposit date: | 2018-07-13 | | Release date: | 2019-07-17 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.47 Å) | | Cite: | Design, Synthesis, and Biological Evaluation of Retinoic Acid-Related Orphan Receptor gamma t (ROR gamma t) Agonist Structure-Based Functionality Switching Approach from In House ROR gamma t Inverse Agonist to ROR gamma t Agonist.
J.Med.Chem., 62, 2019
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6A0U
 | | Homoserine dehydrogenase K195A mutant from Thermus thermophilus HB8 complexed with HSE and NADP+ | | Descriptor: | 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, FORMIC ACID, GLYCEROL, ... | | Authors: | Akai, S, Ikushiro, H, Sawai, T, Yano, T, Kamiya, N, Miyahara, I. | | Deposit date: | 2018-06-06 | | Release date: | 2018-11-28 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | The crystal structure of homoserine dehydrogenase complexed with l-homoserine and NADPH in a closed form
J. Biochem., 165, 2019
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6E3G
 | | Structure of RORgt in complex with a novel agonist. | | Descriptor: | (5R)-6-acetyl-2-methoxy-N-{4-[(2-methoxyphenyl)methoxy]phenyl}-5,6,7,8-tetrahydro-1,6-naphthyridine-5-carboxamide, 1,2-ETHANEDIOL, Nuclear receptor ROR-gamma, ... | | Authors: | Skene, R.J, Hoffman, I. | | Deposit date: | 2018-07-13 | | Release date: | 2019-06-12 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Design, Synthesis, and Biological Evaluation of Retinoic Acid-Related Orphan Receptor gamma t (ROR gamma t) Agonist Structure-Based Functionality Switching Approach from In House ROR gamma t Inverse Agonist to ROR gamma t Agonist.
J.Med.Chem., 62, 2019
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6RYD
 | | WUS-HD bound to TGAA DNA | | Descriptor: | DNA (5'-D(*AP*GP*TP*GP*TP*AP*TP*GP*AP*AP*TP*GP*AP*AP*CP*G)-3'), DNA (5'-D(*CP*GP*TP*TP*CP*AP*TP*TP*CP*AP*TP*AP*CP*AP*CP*T)-3'), MAGNESIUM ION, ... | | Authors: | Sloan, J.J, Wild, K, Sinning, I. | | Deposit date: | 2019-06-10 | | Release date: | 2020-04-29 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.575 Å) | | Cite: | Structural basis for the complex DNA binding behavior of the plant stem cell regulator WUSCHEL.
Nat Commun, 11, 2020
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6ELX
 | | Oryza sativa DWARF14 | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, GLYCEROL, ... | | Authors: | Andersson, I, Carlsson, G.H, Hasse, D. | | Deposit date: | 2017-09-29 | | Release date: | 2018-05-09 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | The elusive ligand complexes of the DWARF14 strigolactone receptor.
J. Exp. Bot., 69, 2018
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5MJ4
 | | INTERLEUKIN-23 COMPLEX WITH AN ANTAGONISTIC ALPHABODY, CRYSTAL FORM 2 | | Descriptor: | ALPHABODY MA12, Interleukin-12 subunit beta, Interleukin-23 subunit alpha, ... | | Authors: | Desmet, J, Verstraete, K, Bloch, Y, Lorent, E, Wen, Y, Devreese, B, Vandenbroucke, K, Loverix, S, Hettmann, T, Deroo, S, Somers, K, Henderikx, P, Lasters, I, Savvides, S. | | Deposit date: | 2016-11-29 | | Release date: | 2017-01-11 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | STRUCTURAL BASIS OF IL-23 ANTAGONISM BY AN ALPHABODY PROTEIN
Nature Communications, 5, 2014
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1H8E
 | | (ADP.AlF4)2(ADP.SO4) bovine F1-ATPase (all three catalytic sites occupied) | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, BOVINE MITOCHONDRIAL F1-ATPASE, GLYCEROL, ... | | Authors: | Menz, R.I, Walker, J.E, Leslie, A.G.W. | | Deposit date: | 2001-02-02 | | Release date: | 2001-08-10 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of Bovine Mitochondrial F1-ATPase with Nucleotide Bound to All Three Catalytic Sites: Implications for the Mechanism of Rotary Catalysis
Cell(Cambridge,Mass.), 106, 2001
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8DFY
 | | Crystal structure of Human BTN2A1 Ectodomain | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Butyrophilin subfamily 2 member A1, ... | | Authors: | Fulford, T.S, Soliman, C, Castle, R.G, Rigau, M, Ruan, Z, Dolezal, O, Seneviratna, R, Brown, H.G, Hanssen, E, Hammet, A, Li, S, Redmond, S.J, Chung, A, Gorman, M.A, Parker, M.W, Patel, O, Peat, T.S, Newman, J, Behren, A, Gherardin, N.A, Godfrey, D.I, Uldrich, A.P. | | Deposit date: | 2022-06-22 | | Release date: | 2023-07-05 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (3.552 Å) | | Cite: | Vgamma9-Vdelta2 T cells recognize butyrophilin 2A1 and 3A1 heteromers
To Be Published
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1H9I
 | | COMPLEX OF EETI-II MUTANT WITH PORCINE TRYPSIN | | Descriptor: | CALCIUM ION, TRYPSIN, TRYPSIN INHIBITOR II | | Authors: | Kraetzner, R, Wentzel, A, Kolmar, H, Uson, I. | | Deposit date: | 2001-03-12 | | Release date: | 2004-07-26 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure of Ecballium Elaterium Trypsin Inhibitor II (Eeti-II): A Rigid Molecular Scaffold
Acta Crystallogr.,Sect.D, 61, 2005
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1GSF
 | | GLUTATHIONE TRANSFERASE A1-1 COMPLEXED WITH ETHACRYNIC ACID | | Descriptor: | ETHACRYNIC ACID, GLUTATHIONE TRANSFERASE A1-1 | | Authors: | L'Hermite, G, Sinning, I, Cameron, A.D, Jones, T.A. | | Deposit date: | 1995-06-09 | | Release date: | 1995-09-15 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural analysis of human alpha-class glutathione transferase A1-1 in the apo-form and in complexes with ethacrynic acid and its glutathione conjugate.
Structure, 3, 1995
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5MQS
 | | Sialidase BT_1020 | | Descriptor: | Beta-L-arabinobiosidase, CALCIUM ION, SODIUM ION, ... | | Authors: | Basle, A, Ndeh, D, Rogowski, A, Cartmell, A, Luis, A.S, Venditto, I, Labourel, A, Gilbert, H.J. | | Deposit date: | 2016-12-20 | | Release date: | 2017-03-22 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Complex pectin metabolism by gut bacteria reveals novel catalytic functions.
Nature, 544, 2017
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6RKY
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6S74
 | | Crystal structure of CARM1 in complex with inhibitor UM305 | | Descriptor: | (2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[3-azanylpropyl-[3-(pyrimidin-2-ylamino)propyl]amino]methyl]oxolane-3,4-diol, GLYCEROL, Histone-arginine methyltransferase CARM1 | | Authors: | Gunnell, E.A, Muhsen, U, Dowden, J, Dreveny, I. | | Deposit date: | 2019-07-04 | | Release date: | 2020-03-04 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural and biochemical evaluation of bisubstrate inhibitors of protein arginine N-methyltransferases PRMT1 and CARM1 (PRMT4).
Biochem.J., 477, 2020
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8D0Y
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