5AHR
 
 | | Crystal structure of human DNA cross-link repair 1A, crystal form B | | Descriptor: | 1,2-ETHANEDIOL, DNA CROSS-LINK REPAIR 1A PROTEIN, ZINC ION | | Authors: | Allerston, C.K, Newman, J.A, Vollmar, M, Goubin, S, Forese, D.S, Chaikuad, A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | | Deposit date: | 2015-02-06 | | Release date: | 2015-02-18 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | The Structures of the Snm1A and Snm1B/Apollo Nuclease Domains Reveal a Potential Basis for Their Distinct DNA Processing Activities.
Nucleic Acids Res., 43, 2015
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7GYO
 | | Crystal Structure of HSP72 in complex with ligand 11 at 8.58 MGy X-ray dose | | Descriptor: | 1,2-ETHANEDIOL, 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE, 8-chloroadenosine, ... | | Authors: | Cabry, M, Rodrigues, M.J, Le Bihan, Y.V, van Montfort, R.L.M. | | Deposit date: | 2024-01-12 | | Release date: | 2024-12-11 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Specific radiation damage to halogenated inhibitors and ligands in protein-ligand crystal structures.
J.Appl.Crystallogr., 57, 2024
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3HHU
 | | Human heat-shock protein 90 (HSP90) in complex with {4-[3-(2,4-dihydroxy-5-isopropyl-phenyl)-5-thioxo- 1,5-dihydro-[1,2,4]triazol-4-yl]-benzyl}-carbamic acid ethyl ester {ZK 2819} | | Descriptor: | Heat shock protein HSP 90-alpha, ethyl (4-{3-[2,4-dihydroxy-5-(1-methylethyl)phenyl]-5-sulfanyl-4H-1,2,4-triazol-4-yl}benzyl)carbamate | | Authors: | Adler, M, Whitlow, M. | | Deposit date: | 2009-05-17 | | Release date: | 2009-07-14 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Potent triazolothione inhibitor of heat-shock protein-90.
Chem.Biol.Drug Des., 74, 2009
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7GYT
 | | Crystal Structure of HSP72 in complex with ligand 11 at 15.73 MGy X-ray dose | | Descriptor: | 1,2-ETHANEDIOL, 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE, 8-chloroadenosine, ... | | Authors: | Cabry, M, Rodrigues, M.J, Le Bihan, Y.V, van Montfort, R.L.M. | | Deposit date: | 2024-01-12 | | Release date: | 2024-12-11 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Specific radiation damage to halogenated inhibitors and ligands in protein-ligand crystal structures.
J.Appl.Crystallogr., 57, 2024
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3ECF
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7GYM
 | | Crystal Structure of HSP72 in complex with ligand 11 at 5.72 MGy X-ray dose | | Descriptor: | 1,2-ETHANEDIOL, 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE, 8-chloroadenosine, ... | | Authors: | Cabry, M, Rodrigues, M.J, Le Bihan, Y.V, van Montfort, R.L.M. | | Deposit date: | 2024-01-12 | | Release date: | 2024-12-11 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Specific radiation damage to halogenated inhibitors and ligands in protein-ligand crystal structures.
J.Appl.Crystallogr., 57, 2024
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7D9Z
 | | Crystal structure of anti-basigin Fab fragment | | Descriptor: | 1,2-ETHANEDIOL, CITRATE ANION, Heavy chain of antibody Fab fragment, ... | | Authors: | Sakuragi, T, Kanai, R, Narita, H, Onishi, E, Miyazaki, T, Baba, T, Nakagawa, A, Toyoshima, C, Nagata, S. | | Deposit date: | 2020-10-14 | | Release date: | 2021-10-20 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.123 Å) | | Cite: | The tertiary structure of the human Xkr8-Basigin complex that scrambles phospholipids at plasma membranes.
Nat.Struct.Mol.Biol., 28, 2021
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3P0Y
 | | anti-EGFR/HER3 Fab DL11 in complex with domain III of EGFR extracellular region | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Epidermal growth factor receptor, ... | | Authors: | Eigenbrot, C, Shia, S. | | Deposit date: | 2010-09-29 | | Release date: | 2011-10-26 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A two-in-one antibody against HER3 and EGFR has superior inhibitory activity compared with monospecific antibodies.
Cancer Cell, 20, 2011
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2WZ7
 | | Crystal structure of the N-terminal domain of E.coli YbgF | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, GLYCEROL, ... | | Authors: | Krachler, A.M, Sharma, A, Kleanthous, C. | | Deposit date: | 2009-11-24 | | Release date: | 2010-09-15 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | Tola Modulates the Oligomeric Status of Ybgf in the Bacterial Periplasm.
J.Mol.Biol., 403, 2010
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2WOU
 | | ALK5 IN COMPLEX WITH 4-((4-((2,6-dimethyl-3-pyridyl)oxy)-2-pyridyl) amino)benzenesulfonamide | | Descriptor: | 1,2-ETHANEDIOL, 4-({4-[(2,6-DIMETHYLPYRIDIN-3-YL)OXY]PYRIDIN-2-YL}AMINO)BENZENESULFONAMIDE, TGF-BETA RECEPTOR TYPE-1 | | Authors: | Debreczeni, J.E, Norman, R.A, Goldberg, F.W, Ward, R.A, Finlay, R, Powell, S.J, Roberts, N.J, Dishington, A.P, Gingell, H.J, Wickson, K.F, Roberts, A.L. | | Deposit date: | 2009-07-28 | | Release date: | 2009-09-22 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Rapid Generation of a High Quality Lead for Transforming Growth Factor-Beta (Tgf-Beta) Type I Receptor (Alk5).
J.Med.Chem., 52, 2009
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2WOT
 | | ALK5 IN COMPLEX WITH 4-((5,6-dimethyl-2-(2-pyridyl)-3-pyridyl)oxy)-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine | | Descriptor: | 1,2-ETHANEDIOL, 4-[(5,6-DIMETHYL-2,2'-BIPYRIDIN-3-YL)OXY]-N-(3,4,5-TRIMETHOXYPHENYL)PYRIDIN-2-AMINE, TGF-BETA RECEPTOR TYPE-1 | | Authors: | Norman, R.A, Debreczeni, J.E, Goldberg, F.W, Ward, R.A, Finlay, R, Powell, S.J, Roberts, N.J, Dishington, A.P, Gingell, H.J, Wickson, K.F, Roberts, A.L. | | Deposit date: | 2009-07-28 | | Release date: | 2009-09-22 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Rapid Generation of a High Quality Lead for Transforming Growth Factor-Beta (Tgf-Beta) Type I Receptor (Alk5).
J.Med.Chem., 52, 2009
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1UQY
 | | Xylanase Xyn10B mutant (E262S) from Cellvibrio mixtus in complex with xylopentaose | | Descriptor: | ENDOXYLANASE, MAGNESIUM ION, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-alpha-D-xylopyranose, ... | | Authors: | Pell, G, Taylor, E.J, Gloster, T.M, Turkenburg, J.P, Fontes, C.M.G.A, Ferreira, L.M.A, Davies, G.J, Gilbert, H.J. | | Deposit date: | 2003-10-23 | | Release date: | 2003-12-18 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | The Mechanisms by which Family 10 Glycoside Hydrolases Bind Decorated Substrates
J.Biol.Chem., 279, 2004
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5AOH
 | | Crystal Structure of CarF | | Descriptor: | POTASSIUM ION, Spore coat protein CotH | | Authors: | Tichy, E.M, Hardwick, S.W, Luisi, B.F, C Salmond, G.P. | | Deposit date: | 2015-09-10 | | Release date: | 2017-01-25 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | 1.8 angstrom resolution crystal structure of the carbapenem intrinsic resistance protein CarF.
Acta Crystallogr D Struct Biol, 73, 2017
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4PB1
 | | Structure of vcCNT-7C8C bound to ribavirin | | Descriptor: | 1-(beta-D-ribofuranosyl)-1H-1,2,4-triazole-3-carboxamide, DECYL-BETA-D-MALTOPYRANOSIDE, NupC family protein, ... | | Authors: | Johnson, Z.L, Lee, S.-Y. | | Deposit date: | 2014-04-11 | | Release date: | 2014-08-13 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.803 Å) | | Cite: | Structural basis of nucleoside and nucleoside drug selectivity by concentrative nucleoside transporters.
Elife, 3, 2014
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1ZPC
 | | Crystal Structure of the Catalytic Domain of Coagulation Factor XI in Complex with 2-[2-(3-Chloro-phenyl)-2-hydroxy-acetylamino]-N-[4-guanidino-1-(thiazole-2-carbonyl)-butyl]-3-methyl-butyramide | | Descriptor: | 2-[2-(3-CHLORO-PHENYL)-2-HYDROXY-ACETYLAMINO]-N-[4-GUANIDINO-1-(THIAZOLE-2-CARBONYL)-BUTYL]-3-METHYL-BUTYRAMIDE, Coagulation factor XI, SULFATE ION | | Authors: | Deng, H, Bannister, T.D, Jin, L, Nagafuji, P, Celatka, C.A, Lin, J, Lazarova, T.I, Rynkiewicz, M.J, Quinn, J, Bibbins, F, Pandey, P, Gorga, J, Babine, R.E, Meyers, H.V, Abdel-Meguid, S.S, Strickler, J.E. | | Deposit date: | 2005-05-16 | | Release date: | 2006-04-18 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Synthesis, SAR exploration, and X-ray crystal structures of factor XIa inhibitors containing an alpha-ketothiazole arginine
Bioorg.Med.Chem.Lett., 16, 2006
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1J10
 | | beta-amylase from Bacillus cereus var. mycoides in complex with GGX | | Descriptor: | Beta-amylase, CALCIUM ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-xylopyranose, ... | | Authors: | Oyama, T, Miyake, H, Kusunoki, M, Nitta, Y. | | Deposit date: | 2002-11-25 | | Release date: | 2003-06-17 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal Structures of beta-Amylase from Bacillus cereus var. mycoides in Complexes with Substrate Analogs and Affinity-Labeling Reagents
J.BIOCHEM.(TOKYO), 133, 2003
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5O3I
 | | Human Brd2(BD2) mutant in complex with AL-tBu | | Descriptor: | (2~{S})-1-[(2~{S})-2-oxidanylpropoxy]propan-2-ol, Bromodomain-containing protein 2, CHLORIDE ION, ... | | Authors: | Chan, K.-H, Runcie, A.C, Ciulli, A. | | Deposit date: | 2017-05-23 | | Release date: | 2018-02-14 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Optimization of a "bump-and-hole" approach to allele-selective BET bromodomain inhibition.
Chem Sci, 9, 2018
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3EJJ
 | | Structure of M-CSF bound to the first three domains of FMS | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Colony stimulating factor-1, Macrophage colony-stimulating factor 1 receptor | | Authors: | Chen, X, Liu, H, Focia, P.J, Shim, A, He, X. | | Deposit date: | 2008-09-18 | | Release date: | 2008-12-09 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure of macrophage colony stimulating factor bound to FMS: diverse signaling assemblies of class III receptor tyrosine kinases.
Proc.Natl.Acad.Sci.USA, 105, 2008
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9DOK
 | | Cryo-EM structure of LptB2FG apo-II | | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, Lipopolysaccharide export system ATP-binding protein LptB, Lipopolysaccharide export system permease protein LptF, ... | | Authors: | Su, C.C. | | Deposit date: | 2024-09-19 | | Release date: | 2025-11-19 | | Method: | ELECTRON MICROSCOPY (3.26 Å) | | Cite: | Structural snapshots of Pseudomonas aeruginosa LptB2FG and LptB2FGC reveal insights into lipopolysaccharide recognition and transport
To Be Published
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9DOQ
 | | Cryo-EM structure of LptB2FGC apo-I | | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, Lipopolysaccharide export system ATP-binding protein LptB, Lipopolysaccharide export system permease protein LptF, ... | | Authors: | Su, C.C. | | Deposit date: | 2024-09-19 | | Release date: | 2025-11-19 | | Method: | ELECTRON MICROSCOPY (3.26 Å) | | Cite: | Structural snapshots of Pseudomonas aeruginosa LptB2FG and LptB2FGC reveal insights into lipopolysaccharide recognition and transport
To Be Published
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3HLV
 | | Crystal structure of human Estrogen Receptor Alpha Ligand-Binding Domain in complex with a Glucocorticoid Receptor Interacting Protein 1 Nr Box II Peptide and 16-alpha-hydroxy-estrone ((8S,9R,13S,14R,16R)-3,16-dihydroxy-13-methyl-7,8,9,11,12,14,15, 16-octahydro-6H-cyclopenta[a]phenanthren-17-one | | Descriptor: | (9beta,13alpha,16beta)-3,16-dihydroxyestra-1,3,5(10)-trien-17-one, Estrogen receptor, Nuclear receptor coactivator 2 | | Authors: | Rajan, S.S, Kim, Y, Vanek, K, Joachimiak, A, Greene, G.L. | | Deposit date: | 2009-05-28 | | Release date: | 2010-06-02 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystal structure of human alphaER-LBD in complex with GRIP peptide and 16alpha-hydroxyestrone
To be Published
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1MZF
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6JT8
 | | Crystal structure of 450-451_deletion mutant of FGAM Synthetase | | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, ... | | Authors: | Sharma, N, Ahalawat, N, Sandhu, P, Mondal, J, Anand, R. | | Deposit date: | 2019-04-10 | | Release date: | 2020-03-04 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Role of allosteric switches and adaptor domains in long-distance cross-talk and transient tunnel formation.
Sci Adv, 6, 2020
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5X39
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4XBG
 | | Crystal structure of human 4E10 Fab in complex with phosphatidic acid (06:0 PA): 2.73 A resolution | | Descriptor: | (2R)-3-(phosphonooxy)propane-1,2-diyl dihexanoate, 4E10 Fab heavy chain, 4E10 Fab light chain, ... | | Authors: | Irimia, A, Stanfield, R.L, Wilson, I.A. | | Deposit date: | 2014-12-16 | | Release date: | 2016-02-03 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.73 Å) | | Cite: | Crystallographic Identification of Lipid as an Integral Component of the Epitope of HIV Broadly Neutralizing Antibody 4E10.
Immunity, 44, 2016
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