2ECZ
 
 | | Solution structure of the SH3 domain of Sorbin and SH3 domain-containing protein 1 | | Descriptor: | Sorbin and SH3 domain-containing protein 1 | | Authors: | Abe, H, Miyamoto, K, Tochio, N, Saito, K, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2007-02-14 | | Release date: | 2008-02-26 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the SH3 domain of Sorbin and SH3 domain-containing protein 1
To be Published
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4K7S
 | | Crystal structure of Zn2-hUb (human ubiquitin) adduct from a solution 35 mM zinc acetate/1.3 mM hUb | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, ZINC ION, ... | | Authors: | Fermani, S, Falini, G, Calvaresi, M, Bottoni, A, Arnesano, F, Natile, G. | | Deposit date: | 2013-04-17 | | Release date: | 2013-05-08 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Conformational selection of ubiquitin quaternary structures driven by zinc ions.
Chemistry, 19, 2013
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3IJJ
 | | Ternary Complex of Macrophage Migration Inhibitory Factor (MIF) Bound Both to 4-hydroxyphenylpyruvate and to the Allosteric Inhibitor AV1013 (R-stereoisomer) | | Descriptor: | (2E)-2-hydroxy-3-(4-hydroxyphenyl)prop-2-enoic acid, (2R)-2-amino-1-[2-(1-methylethyl)pyrazolo[1,5-a]pyridin-3-yl]propan-1-one, 3-(4-HYDROXY-PHENYL)PYRUVIC ACID, ... | | Authors: | Crichlow, G.V, Cho, Y, Lolis, E.J. | | Deposit date: | 2009-08-04 | | Release date: | 2010-06-16 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Allosteric inhibition of macrophage migration inhibitory factor revealed by ibudilast.
Proc.Natl.Acad.Sci.USA, 107, 2010
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5KZX
 | | Crystal structure of human GAA | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Deming, D.T, Garman, S.C. | | Deposit date: | 2016-07-25 | | Release date: | 2017-07-26 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The structure of human GAA: structural basis of Pompe disease
To be published
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3A4P
 | | human c-MET kinase domain complexed with 6-benzyloxyquinoline inhibitor | | Descriptor: | (2E)-3-{6-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]quinolin-3-yl}-N-methylprop-2-enamide, CHLORIDE ION, Hepatocyte growth factor receptor, ... | | Authors: | Fukami, T.A, Kadono, S, Yamamuro, M, Matsuura, T. | | Deposit date: | 2009-07-13 | | Release date: | 2010-02-16 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.54 Å) | | Cite: | Discovery of 6-benzyloxyquinolines as c-Met selective kinase inhibitors
Bioorg.Med.Chem.Lett., 20, 2010
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1KZS
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2PQZ
 | | HIV-1 Protease in complex with a pyrrolidine-based inhibitor | | Descriptor: | CHLORIDE ION, N,N'-(3S,4S)-PYRROLIDINE-3,4-DIYLBIS(N-BENZYLBENZENESULFONAMIDE), Protease | | Authors: | Boettcher, J, Blum, A, Heine, A, Diederich, W.E, Klebe, G. | | Deposit date: | 2007-05-03 | | Release date: | 2008-04-15 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structure-Guided Design of C2-Symmetric HIV-1 Protease Inhibitors Based on a Pyrrolidine Scaffold.
J.Med.Chem., 51, 2008
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9I02
 | | Structure of recombinant human butyrylcholinesterase in complex with (S)-N-((1-benzylpyrrolidin-3-yl)methyl)-N-methylnaphthalene-2-sulfonamide | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Brazzolotto, X, Kosak, U, Gobec, S, Nachon, F. | | Deposit date: | 2025-01-14 | | Release date: | 2025-07-02 | | Method: | X-RAY DIFFRACTION (2.58 Å) | | Cite: | Lead Optimization of a Butyrylcholinesterase Inhibitor for the Treatment of Alzheimer's Disease.
J.Med.Chem., 68, 2025
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3VET
 | | Crystal structure of the O-carbamoyltransferase TobZ in complex with Tobramycin, carbamoyl phosphate and ADP | | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, FE (II) ION, ... | | Authors: | Parthier, C, Stubbs, M.T, Goerlich, S, Jaenecke, F. | | Deposit date: | 2012-01-09 | | Release date: | 2012-01-25 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The O-Carbamoyltransferase TobZ Catalyzes an Ancient Enzymatic Reaction.
Angew.Chem.Int.Ed.Engl., 51, 2012
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5YR5
 | | Human methionine aminopeptidase type 1b (F309L mutant) in complex with Ovalicin | | Descriptor: | 3,4-DIHYDROXY-2-METHOXY-4-METHYL-3-[2-METHYL-3-(3-METHYL-BUT-2-ENYL) -OXIRANYL]-CYCLOHEXANONE, COBALT (II) ION, Methionine aminopeptidase 1, ... | | Authors: | Pillalamarri, V, Arya, T, Addlagatta, A. | | Deposit date: | 2017-11-08 | | Release date: | 2018-11-14 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Discovery of natural product ovalicin sensitive type 1 methionine aminopeptidases: molecular and structural basis.
Biochem. J., 476, 2019
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5L5V
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4P99
 | | Ca2+-stabilized adhesin helps an Antarctic bacterium reach out and bind ice | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ... | | Authors: | Guo, S, Vance, D.R.T, Campbell, R.L, Davies, P.L. | | Deposit date: | 2014-04-02 | | Release date: | 2014-06-18 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Ca2+-stabilized adhesin helps an Antarctic bacterium reach out and bind ice.
Biosci.Rep., 34, 2014
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3VP9
 | | Crystal structure of the N-terminal domain of the yeast general corepressor Tup1p mutant | | Descriptor: | 1,4-DIETHYLENE DIOXIDE, General transcriptional corepressor TUP1 | | Authors: | Matsumura, H, Kusaka, N, Nakamura, T, Tanaka, N, Sagegami, K, Uegaki, K, Inoue, T, Mukai, Y. | | Deposit date: | 2012-02-28 | | Release date: | 2012-06-13 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.799 Å) | | Cite: | Crystal structure of the N-terminal domain of the yeast general corepressor Tup1p and its functional implications
J.Biol.Chem., 287, 2012
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4C69
 | | ATP binding to murine voltage-dependent anion channel 1 (mVDAC1). | | Descriptor: | 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, ADENOSINE-5'-TRIPHOSPHATE, LAURYL DIMETHYLAMINE-N-OXIDE, ... | | Authors: | Paz, A, Colletier, J.P, Abramson, J. | | Deposit date: | 2013-09-17 | | Release date: | 2014-06-04 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.277 Å) | | Cite: | Structure-Guided Simulations Illuminate the Mechanism of ATP Transport Through Vdac1.
Nat.Struct.Mol.Biol., 21, 2014
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3QXY
 | | Human SETD6 in complex with RelA Lys310 | | Descriptor: | 1,2-ETHANEDIOL, N-lysine methyltransferase SETD6, S-ADENOSYLMETHIONINE, ... | | Authors: | Chang, Y, Levy, D, Horton, J.R, Peng, J, Zhang, X, Gozani, O, Cheng, X. | | Deposit date: | 2011-03-02 | | Release date: | 2011-05-25 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Structural basis of SETD6-mediated regulation of the NF-kB network via methyl-lysine signaling.
Nucleic Acids Res., 39, 2011
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4KEQ
 | | Crystal structure of 4-pyridoxolactonase, 5-pyridoxolactone bound | | Descriptor: | 1,2-ETHANEDIOL, 4-pyridoxolactonase, 7-hydroxy-6-methylfuro[3,4-c]pyridin-3(1H)-one, ... | | Authors: | Kobayashi, J, Yoshikane, Y, Baba, S, Mizutani, K, Takahashi, N, Mikami, B, Yagi, T. | | Deposit date: | 2013-04-26 | | Release date: | 2014-04-09 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.279 Å) | | Cite: | Structure of 4-pyridoxolactonase from Mesorhizobium loti.
Acta Crystallogr.,Sect.F, 70, 2014
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4K9L
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2NTE
 | | Crystal Structure of the BARD1 BRCT Domains | | Descriptor: | 1,2-ETHANEDIOL, BRCA1-associated RING domain protein 1, CHLORIDE ION, ... | | Authors: | Birrane, G, Varma, A.K, Soni, A, Ladias, J.A.A. | | Deposit date: | 2006-11-07 | | Release date: | 2007-06-12 | | Last modified: | 2024-12-25 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of the BARD1 BRCT domains.
Biochemistry, 46, 2007
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3IJG
 | | Macrophage Migration Inhibitory Factor (MIF) Bound to the (R)-Stereoisomer of AV1013 | | Descriptor: | (2R)-2-amino-1-[2-(1-methylethyl)pyrazolo[1,5-a]pyridin-3-yl]propan-1-one, CHLORIDE ION, Macrophage migration inhibitory factor | | Authors: | Crichlow, G.V, Cho, Y, Lolis, E.J. | | Deposit date: | 2009-08-04 | | Release date: | 2010-06-16 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Allosteric inhibition of macrophage migration inhibitory factor revealed by ibudilast.
Proc.Natl.Acad.Sci.USA, 107, 2010
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7EV3
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3A1A
 | | Crystal Structure of the DNMT3A ADD domain | | Descriptor: | 1,2-ETHANEDIOL, DNA (cytosine-5)-methyltransferase 3A, ZINC ION | | Authors: | Otani, J, Arita, K, Ariyoshi, M, Shirakawa, M. | | Deposit date: | 2009-03-28 | | Release date: | 2009-11-10 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural basis for recognition of H3K4 methylation status by the DNA methyltransferase 3A ATRX-DNMT3-DNMT3L domain
Embo Rep., 10, 2009
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3QWO
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1HDH
 | | Arylsulfatase from Pseudomonas aeruginosa | | Descriptor: | Arylsulfatase, CALCIUM ION, SULFATE ION | | Authors: | Boltes, I, Czapinska, H, Kahnert, A, von Buelow, R, Dirks, T, Schmidt, B, von Figura, K, Kertesz, M.A, Uson, I. | | Deposit date: | 2000-11-16 | | Release date: | 2001-11-15 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | 1.3 A Structure of Arylsulfatase from Pseudomonas Aeruginosa Establishes the Catalytic Mechanism of Sulfate Ester Cleavage in the Sulfatase Family.
Structure, 9, 2001
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4OA5
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7FIN
 | | Cryo-EM structure of the GIPR/GLP-1R/GCGR triagonist peptide 20-bound human GIPR-Gs complex | | Descriptor: | CHOLESTEROL, GAMMA-L-GLUTAMIC ACID, Gastric inhibitory polypeptide receptor,human glucose-dependent insulinotropic polypeptide receptor, ... | | Authors: | Zhao, F.h, Zhou, Q.T, Cong, Z.T, Hang, K.N, Zou, X.Y, Zhang, C, Chen, Y, Dai, A.T, Liang, A.Y, Ming, Q.Q, Wang, M, Chen, L.N, Xu, P.Y, Chang, R.L, Feng, W.B, Xia, T, Zhang, Y, Wu, B.L, Yang, D.H, Zhao, L.H, Xu, H.E, Wang, M.W. | | Deposit date: | 2021-07-31 | | Release date: | 2022-02-23 | | Last modified: | 2025-06-25 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural insights into multiplexed pharmacological actions of tirzepatide and peptide 20 at the GIP, GLP-1 or glucagon receptors.
Nat Commun, 13, 2022
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