2ZE9
 
 | | Crystal structure of H168A mutant of phospholipase D from Streptomyces antibioticus, as a complex with phosphatidylcholine | | Descriptor: | (2R)-3-(phosphonooxy)propane-1,2-diyl diheptanoate, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Phospholipase D | | Authors: | Suzuki, A, Toda, H, Iwasaki, Y, Yamane, T, Yamane, T. | | Deposit date: | 2007-12-06 | | Release date: | 2007-12-25 | | Last modified: | 2025-04-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of phospholipase D from streptomyces antibioticus.
To be Published
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8RF0
 | | WT-CGS sample in nanodisc | | Descriptor: | Cyclic beta-(1,2)-glucan synthase NdvB, URIDINE-5'-DIPHOSPHATE-GLUCOSE, beta-D-glucopyranose-(1-2)-beta-D-glucopyranose-(1-2)-beta-D-glucopyranose-(1-2)-beta-D-glucopyranose-(1-2)-beta-D-glucopyranose-(1-2)-beta-D-glucopyranose-(1-2)-beta-D-glucopyranose-(1-2)-beta-D-glucopyranose-(1-2)-beta-D-glucopyranose, ... | | Authors: | Sedzicki, J, Ni, D, Lehmann, F, Stahlberg, H, Dehio, C. | | Deposit date: | 2023-12-12 | | Release date: | 2024-03-20 | | Last modified: | 2025-07-09 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structure-function analysis of the cyclic beta-1,2-glucan synthase from Agrobacterium tumefaciens.
Nat Commun, 15, 2024
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4JZF
 | | Structure of factor VIIA in complex with the inhibitor 2-{2-[(3-carbamoylphenyl)carbamoyl]-6-methoxypyridin-3-yl}-5-{[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]carbamoyl}benzoic acid | | Descriptor: | 2-{2-[(3-carbamoylphenyl)carbamoyl]-6-methoxypyridin-3-yl}-5-{[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]carbamoyl}benzoic acid, CALCIUM ION, Factor VIIa (Heavy Chain), ... | | Authors: | Wei, A, Anumula, R. | | Deposit date: | 2013-04-02 | | Release date: | 2013-08-21 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Discovery of nonbenzamidine factor VIIa inhibitors using a biaryl acid scaffold.
Bioorg.Med.Chem.Lett., 23, 2013
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7CHZ
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6LDS
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4ZXY
 | | FACTOR VIIA IN COMPLEX WITH THE INHIBITOR (2R)-2-[(1-aminoisoquinolin-6-yl)amino]-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaene-3,12-dione | | Descriptor: | (2R)-2-[(1-aminoisoquinolin-6-yl)amino]-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaene-3,12-dione, CALCIUM ION, Coagulation factor VIIa heavy chain, ... | | Authors: | Wei, A. | | Deposit date: | 2015-05-20 | | Release date: | 2015-07-22 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Structure-Based Design of Macrocyclic Coagulation Factor VIIa Inhibitors.
J.Med.Chem., 58, 2015
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3PZJ
 | | Crystal structure of a probable acetyltransferases (GNAT family) from Chromobacterium violaceum ATCC 12472 | | Descriptor: | 1,2-ETHANEDIOL, Probable acetyltransferases, SODIUM ION | | Authors: | Nocek, B, Stein, A, Bigelow, L, Feldmann, B, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2010-12-14 | | Release date: | 2011-01-19 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystal structure of a probable acetyltransferases (GNAT family) from Chromobacterium violaceum ATCC 12472
TO BE PUBLISHED
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5ABW
 | | Neutrophil elastase inhibitors for the treatment of (cardio)pulmonary diseases | | Descriptor: | 1-(3-CHLOROPHENYL)-5-(3,5-DIMETHYLISOXAZOL-4-YL)-6-METHYL-N-[4-(METHYLSULFONYL)BENZYL]-2-OXO-1,2-DIHYDROPYRIDINE-3-CARBOXAMIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | | Authors: | von Nussbaum, F, Li, V.M, Schaefer, M. | | Deposit date: | 2015-08-10 | | Release date: | 2015-08-19 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Neutrophil elastase inhibitors for the treatment of (cardio)pulmonary diseases: Into clinical testing with pre-adaptive pharmacophores.
Bioorg. Med. Chem. Lett., 25, 2015
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2X4F
 | | The Crystal Structure of the human myosin light chain kinase LOC340156. | | Descriptor: | 1,2-ETHANEDIOL, 4-(2-amino-4-methyl-1,3-thiazol-5-yl)-N-(3-dioxaziridin-3-ylphenyl)pyrimidin-2-amine, MYOSIN LIGHT CHAIN KINASE FAMILY MEMBER 4, ... | | Authors: | Muniz, J.R.C, Mahajan, P, Rellos, P, Fedorov, O, Shrestha, B, Wang, J, Elkins, J.M, Daga, N, Cocking, R, Chaikuad, A, Krojer, T, Ugochukwu, E, Yue, W, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Gileadi, O, Knapp, S. | | Deposit date: | 2010-01-29 | | Release date: | 2010-02-09 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.67 Å) | | Cite: | The Crystal Structure of the Human Myosin Light Chain Kinase Loc340156
To be Published
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3K7F
 | | Crystal Structure Analysis of a Phenhexyl/Oxazole/Carboxypyridine alpha-Ketoheterocycle Inhibitor Bound to a Humanized Variant of Fatty Acid Amide Hydrolase' | | Descriptor: | 6-[2-(7-phenylheptanoyl)-1,3-oxazol-5-yl]pyridine-2-carboxylic acid, CHLORIDE ION, Fatty-acid amide hydrolase 1, ... | | Authors: | Mileni, M, Stevens, R.C, Boger, D.L. | | Deposit date: | 2009-10-13 | | Release date: | 2009-12-01 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | X-ray crystallographic analysis of alpha-ketoheterocycle inhibitors bound to a humanized variant of fatty acid amide hydrolase.
J.Med.Chem., 53, 2010
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7UAW
 | | Structure of Clostridium botulinum prophage Tad1 in complex with 1''-2' gcADPR | | Descriptor: | (1S,3R,4R,6R,9S,11R,14R,15S,16R,18R)-4-(6-amino-9H-purin-9-yl)-9,11,15,16,18-pentahydroxy-2,5,8,10,12,17-hexaoxa-9lambda~5~,11lambda~5~-diphosphatricyclo[12.2.1.1~3,6~]octadecane-9,11-dione, ABC transporter ATPase | | Authors: | Lu, A, Leavitt, A, Yirmiya, E, Amitai, G, Garb, J, Morehouse, B.R, Hobbs, S.J, Sorek, R, Kranzusch, P.J. | | Deposit date: | 2022-03-14 | | Release date: | 2022-10-05 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Viruses inhibit TIR gcADPR signalling to overcome bacterial defence.
Nature, 611, 2022
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6R4W
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2WTD
 | | Crystal structure of Chk2 in complex with an inhibitor | | Descriptor: | 1,2-ETHANEDIOL, 4-[2-AMINO-5-(1,3-BENZODIOXOL-4-YL)PYRIDIN-3-YL]BENZAMIDE, NITRATE ION, ... | | Authors: | Hilton, S, Naud, S, Caldwell, J.J, Boxall, K, Burns, S, Anderson, V.E, Antoni, L, Allen, C.E, Pearl, L.H, Oliver, A.W, Aherne, G.W, Garrett, M.D, Collins, I. | | Deposit date: | 2009-09-15 | | Release date: | 2009-12-29 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Identification and Characterisation of 2-Aminopyridine Inhibitors of Checkpoint Kinase 2
Bioorg.Med.Chem., 18, 2010
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4LG1
 | | Human Methyltransferase-Like Protein 21D | | Descriptor: | 1,2-ETHANEDIOL, Protein-lysine methyltransferase METTL21D, S-ADENOSYLMETHIONINE, ... | | Authors: | Dong, A, Zeng, H, Fenner, M, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Wu, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2013-06-27 | | Release date: | 2013-07-17 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The Crystal Structure of Human Methyltransferase-Like Protein 21D in Complex with SAM
To be Published
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4O1C
 | | The crystal structures of a mutant NAMPT H191R | | Descriptor: | 1,2-ETHANEDIOL, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION | | Authors: | Oh, A, Coons, M, Brillantes, B, Wang, W. | | Deposit date: | 2013-12-15 | | Release date: | 2014-10-22 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.092 Å) | | Cite: | Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors.
Plos One, 9, 2014
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6BY8
 | | Menin in complex with MI-1482 | | Descriptor: | 1,2-ETHANEDIOL, 4-methyl-1-{[(2R)-5-oxomorpholin-2-yl]methyl}-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile, DIMETHYL SULFOXIDE, ... | | Authors: | Borkin, T, Klossowski, S, Pollock, J, Linhares, B, Cierpicki, T, Grembecka, J. | | Deposit date: | 2017-12-20 | | Release date: | 2018-11-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Complexity of Blocking Bivalent Protein-Protein Interactions: Development of a Highly Potent Inhibitor of the Menin-Mixed-Lineage Leukemia Interaction.
J.Med.Chem., 61, 2018
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4NCX
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4NG9
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8Y6A
 | | Cryo-EM structure of SARS-CoV-2 Omicron BA.2.86 RBD in complex with human ACE2 and S309 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, Angiotensin-converting enzyme 2, ... | | Authors: | Li, L.J, Gu, Y.H, Qi, J.X, Gao, G.F. | | Deposit date: | 2024-02-02 | | Release date: | 2024-07-03 | | Last modified: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (2.72 Å) | | Cite: | Spike structures, receptor binding, and immune escape of recently circulating SARS-CoV-2 Omicron BA.2.86, JN.1, EG.5, EG.5.1, and HV.1 sub-variants.
Structure, 32, 2024
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2WXY
 | | Crystal structure of mouse angiotensinogen in the reduced form | | Descriptor: | 1,2-ETHANEDIOL, ANGIOTENSINOGEN, SODIUM ION | | Authors: | Zhou, A, Wei, Z, Carrell, R.W, Read, R.J. | | Deposit date: | 2009-11-11 | | Release date: | 2010-10-20 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A Redox Switch in Angiotensinogen Modulates Angiotensin Release.
Nature, 468, 2010
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5E7V
 | | Potent Vitamin D Receptor Agonist | | Descriptor: | 1-ALPHA-HYDROXY-27-NOR-25-O-CARBONYL-VITAMIN D3, Nuclear receptor coactivator 1, Vitamin D3 receptor A | | Authors: | Otero, R, Seoane, S, Sigueiro, R, Belorusova, A.Y, Maestro, M.A, Perez-Fernandez, R, Rochel, N, Mourino, A. | | Deposit date: | 2015-10-13 | | Release date: | 2015-11-25 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Carborane-based design of a potent vitamin D receptor agonist.
Chem Sci, 7, 2016
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3K14
 | | Co-crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase from Burkholderia pseudomallei with FOL fragment 535, ethyl 3-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxylate | | Descriptor: | 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, ACETATE ION, CHLORIDE ION, ... | | Authors: | Seattle Structural Genomics Center for Infectious Disease (SSGCID) | | Deposit date: | 2009-09-25 | | Release date: | 2009-10-06 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Leveraging structure determination with fragment screening for infectious disease drug targets: MECP synthase from Burkholderia pseudomallei.
J Struct Funct Genomics, 12, 2011
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6FF4
 | | human Bact spliceosome core structure | | Descriptor: | 116 kDa U5 small nuclear ribonucleoprotein component, BUD13 homolog, Cell division cycle 5-like protein, ... | | Authors: | Haselbach, D, Komarov, I, Agafonov, D, Hartmuth, K, Graf, B, Kastner, B, Luehrmann, R, Stark, H. | | Deposit date: | 2018-01-03 | | Release date: | 2018-08-29 | | Last modified: | 2025-07-02 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structure and Conformational Dynamics of the Human Spliceosomal BactComplex.
Cell, 172, 2018
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1WEI
 | | Catalytic Domain Of Muty From Escherichia Coli K20A Mutant Complexed To Adenine | | Descriptor: | 1,2-ETHANEDIOL, A/G-specific adenine glycosylase, ADENINE, ... | | Authors: | Hitomi, K, Arvai, A.S, Tainer, J.A. | | Deposit date: | 2004-05-25 | | Release date: | 2004-09-21 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Reaction intermediates in the catalytic mechanism of Escherichia coli MutY DNA glycosylase
J.Biol.Chem., 279, 2004
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3V1H
 | | Structure of the H258Y mutant of Phosphatidylinositol-specific phospholipase C from Staphylococcus aureus | | Descriptor: | 1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE, 1-phosphatidylinositol phosphodiesterase, ACETATE ION | | Authors: | Goldstein, R.I, Cheng, J, Stec, B, Roberts, M.F. | | Deposit date: | 2011-12-09 | | Release date: | 2012-04-04 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure of the S. aureus PI-Specific Phospholipase C Reveals Modulation of Active Site Access by a Titratable PI-Cation Latched Loop
Biochemistry, 51, 2012
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