7THQ
 
 | | Crystal structure of PltF trapped with PigG using a proline adenosine vinylsulfonamide inhibitor | | Descriptor: | 5'-deoxy-5'-({(2S)-2-({2-[(N-{(2R)-4-[(dioxo-lambda~5~-phosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-beta-alanyl)amino]ethyl}sulfanyl)-2-[(2S)-pyrrolidin-2-yl]ethanesulfonyl}amino)adenosine, AZIDE ION, L-proline--[L-prolyl-carrier protein] ligase, ... | | Authors: | Corpuz, J.C, Podust, L.M. | | Deposit date: | 2022-01-11 | | Release date: | 2022-11-30 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.46 Å) | | Cite: | Essential Role of Loop Dynamics in Type II NRPS Biomolecular Recognition.
Acs Chem.Biol., 17, 2022
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3HG4
 | | Human alpha-galactosidase catalytic mechanism 3. Covalent intermediate | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-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: | Guce, A.I, Clark, N.E, Garman, S.C. | | Deposit date: | 2009-05-13 | | Release date: | 2009-11-24 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Catalytic mechanism of human alpha-galactosidase.
J.Biol.Chem., 285, 2010
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3HG5
 | | Human alpha-galactosidase catalytic mechanism 4. Product bound | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETIC ACID, Alpha-galactosidase A, ... | | Authors: | Guce, A.I, Clark, N.E, Garman, S.C. | | Deposit date: | 2009-05-13 | | Release date: | 2009-11-24 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Catalytic mechanism of human alpha-galactosidase.
J.Biol.Chem., 285, 2010
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3HG2
 | | Human alpha-galactosidase catalytic mechanism 1. Empty active site | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETIC ACID, Alpha-galactosidase A, ... | | Authors: | Guce, A.I, Clark, N.E, Garman, S.C. | | Deposit date: | 2009-05-13 | | Release date: | 2009-11-24 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Catalytic mechanism of human alpha-galactosidase.
J.Biol.Chem., 285, 2010
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5H1T
 | | Complex structure of TRIM24 PHD-bromodomain and inhibitor 1 | | Descriptor: | DIMETHYL SULFOXIDE, Transcription intermediary factor 1-alpha, ZINC ION, ... | | Authors: | Liu, J. | | Deposit date: | 2016-10-11 | | Release date: | 2017-02-22 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.951 Å) | | Cite: | The polar warhead of a TRIM24 bromodomain inhibitor rearranges a water-mediated interaction network
FEBS J., 284, 2017
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2AS4
 | | cytochrome c peroxidase in complex with 3-fluorocatechol | | Descriptor: | 3-FLUOROBENZENE-1,2-DIOL, Cytochrome c peroxidase, mitochondrial, ... | | Authors: | Brenk, R, Vetter, S.W, Boyce, S.E, Goodin, D.B, Shoichet, B.K. | | Deposit date: | 2005-08-22 | | Release date: | 2006-04-11 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Probing molecular docking in a charged model binding site.
J.Mol.Biol., 357, 2006
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5XOV
 | | Crystal structure of peptide-HLA-A24 bound to S19-2 V-delta/V-beta TCR | | Descriptor: | Beta-2-microglobulin, HIV-1 Nef138-10 peptide, HLA class I histocompatibility antigen, ... | | Authors: | Shi, Y, Qi, J, Gao, G.F. | | Deposit date: | 2017-05-31 | | Release date: | 2017-06-14 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.684 Å) | | Cite: | Conserved V delta 1 Binding Geometry in a Setting of Locus-Disparate pHLA Recognition by delta / alpha beta T Cell Receptors (TCRs): Insight into Recognition of HIV Peptides by TCRs.
J. Virol., 91, 2017
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1H3T
 | | Crystal structure of the human igg1 fc-fragment,glycoform (mn2f)2 | | Descriptor: | IG GAMMA-1 CHAIN C REGION, beta-D-mannopyranose, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Krapp, S, Mimura, Y, Jefferis, R, Huber, R, Sondermann, P. | | Deposit date: | 2002-09-19 | | Release date: | 2003-01-23 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural Analysis of Human Igg-Fc Glycoforms Reveals a Correlation between Glycosylation and Structural Integrity
J.Mol.Biol., 325, 2003
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1LKP
 | | Crystal structure of Desulfovibrio vulgaris rubrerythrin all-iron(II) form, azide adduct | | Descriptor: | AZIDE ION, FE (II) ION, Rubrerythrin | | Authors: | Jin, S, Kurtz Jr, D.M, Liu, Z.J, Rose, J, Wang, B.C. | | Deposit date: | 2002-04-25 | | Release date: | 2002-09-18 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | X-ray Crystal Structures of Reduced Rubrerythrin and its Azide Adduct: A Structure-Based Mechanism for a Non-Heme Diiron Peroxidase
J.Am.Chem.Soc., 124, 2002
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8ODR
 | | Mimetic of UBC9-SUMO1 | | Descriptor: | SULFATE ION, SUMO-conjugating enzyme UBC9, Small ubiquitin-related modifier 1 | | Authors: | Coste, F, Goffinont, S, Suskiewicz, M.J. | | Deposit date: | 2023-03-09 | | Release date: | 2023-06-07 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Structural insights into the regulation of the human E2∼SUMO conjugate through analysis of its stable mimetic.
J.Biol.Chem., 299, 2023
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1H3U
 | | CRYSTAL STRUCTURE OF THE HUMAN IGG1 FC-FRAGMENT,GLYCOFORM (M3N2F)2 | | Descriptor: | IG GAMMA-1 CHAIN C REGION, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, beta-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Krapp, S, Mimura, Y, Jefferis, R, Huber, R, Sondermann, P. | | Deposit date: | 2002-09-19 | | Release date: | 2003-01-23 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural Analysis of Human Igg-Fc Glycoforms Reveals a Correlation between Glycosylation and Structural Integrity.
J.Mol.Biol., 325, 2003
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6B1C
 | | Macrophage Migration Inhibitory Factor in complex with a Naphthyridinone Inhibitor (4a) | | Descriptor: | 2-[1-(3-fluoro-4-hydroxyphenyl)-1H-1,2,3-triazol-4-yl]-7-methyl-1,7-naphthyridin-8(7H)-one, Macrophage migration inhibitory factor, SULFATE ION | | Authors: | Krimmer, S.G, Robertson, M.J, Jorgensen, W.L. | | Deposit date: | 2017-09-18 | | Release date: | 2018-01-03 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.163 Å) | | Cite: | Adding a Hydrogen Bond May Not Help: Naphthyridinone vs Quinoline Inhibitors of Macrophage Migration Inhibitory Factor.
ACS Med Chem Lett, 8, 2017
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5H1V
 | | Complex structure of TRIM24 PHD-bromodomain and inhibitor 6 | | Descriptor: | 2-Hydrazino-1,3-benzothiazole-6-carbohydrazide, DIMETHYL SULFOXIDE, Transcription intermediary factor 1-alpha, ... | | Authors: | Liu, J. | | Deposit date: | 2016-10-11 | | Release date: | 2017-02-22 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.002 Å) | | Cite: | The polar warhead of a TRIM24 bromodomain inhibitor rearranges a water-mediated interaction network
FEBS J., 284, 2017
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1LKM
 | | Crystal structure of Desulfovibrio vulgaris rubrerythrin all-iron(III) form | | Descriptor: | FE (III) ION, Rubrerythrin all-iron(III) form | | Authors: | Jin, S, Kurtz Jr, D.M, Liu, Z.J, Rose, J, Wang, B.C. | | Deposit date: | 2002-04-25 | | Release date: | 2002-09-18 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | X-ray Crystal Structures of Reduced Rubrerythrin and its Azide Adduct: A Structure-Based Mechanism for a Non-Heme DiIron Peroxidase
J.Am.Chem.Soc., 124, 2002
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1CPX
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1E2P
 | | Thymidine kinase, DHBT | | Descriptor: | 6-[3-HYDROXY-2-(HYDROXYMETHYL)PROPYL]-5-METHYL-2,4(1H,3H)-PYRIMIDINEDIONE, SULFATE ION, THYMIDINE KINASE | | Authors: | Schulz, G.E, Kessler, U. | | Deposit date: | 2000-05-23 | | Release date: | 2001-04-26 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The Effect of Substrate Binding on the Conformation and Structural Stability of Herpes Simplex Virus Type 1 Thymidine Kinase
Protein Sci., 10, 2001
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1H3W
 | | Structural analysis of human IgG-Fc glycoforms reveals a correlation between glycosylation and structural integrity | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-beta-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, IG GAMMA-1 CHAIN C REGION | | Authors: | Krapp, S, Mimura, Y, Jefferis, R, Huber, R, Sondermann, P. | | Deposit date: | 2002-09-19 | | Release date: | 2003-01-23 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Structural Analysis of Human Igg-Fc Glycoforms Reveals a Correlation between Glycosylation and Structural Integrity
J.Mol.Biol., 325, 2003
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1KJX
 | | IMP Complex of E. Coli Adenylosuccinate Synthetase | | Descriptor: | Adenylosuccinate Synthetase, INOSINIC ACID | | Authors: | Hou, Z, Wang, W, Fromm, H.J, Honzatko, R.B. | | Deposit date: | 2001-12-05 | | Release date: | 2002-03-20 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | IMP Alone Organizes the Active Site of Adenylosuccinate Synthetase from Escherichia coli.
J.Biol.Chem., 277, 2002
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8FC7
 | | Cryo-EM structure of the human TRPV4 - RhoA in complex with GSK2798745 | | Descriptor: | 1-({(5S,7S)-3-[5-(2-hydroxypropan-2-yl)pyrazin-2-yl]-7-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decan-7-yl}methyl)-1H-benzimidazole-6-carbonitrile, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Kwon, D.H, Lee, S.-Y, Zhang, F. | | Deposit date: | 2022-12-01 | | Release date: | 2023-07-12 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | TRPV4-Rho GTPase complex structures reveal mechanisms of gating and disease.
Nat Commun, 14, 2023
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8FC9
 | | Cryo-EM structure of the human TRPV4 - RhoA, apo condition | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Transforming protein RhoA, ... | | Authors: | Kwon, D.H, Lee, S.-Y, Zhang, F. | | Deposit date: | 2022-12-01 | | Release date: | 2023-07-12 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.75 Å) | | Cite: | TRPV4-Rho GTPase complex structures reveal mechanisms of gating and disease.
Nat Commun, 14, 2023
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6MA7
 | | Human CYP3A4 bound to an inhibitor fluconazole | | Descriptor: | 1,2-ETHANEDIOL, 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL, Cytochrome P450 3A4, ... | | Authors: | Sevrioukova, I.F. | | Deposit date: | 2018-08-26 | | Release date: | 2019-01-16 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Interaction of Human Drug-Metabolizing CYP3A4 with Small Inhibitory Molecules.
Biochemistry, 58, 2019
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8FC8
 | | Cryo-EM structure of the human TRPV4 in complex with GSK1016790A | | Descriptor: | CHOLESTEROL HEMISUCCINATE, N-[(2S)-1-{4-[N-(2,4-dichlorobenzene-1-sulfonyl)-L-seryl]piperazin-1-yl}-4-methyl-1-oxopentan-2-yl]-1-benzothiophene-2-carboxamide, Transient receptor potential cation channel subfamily V member 4 | | Authors: | Kwon, D.H, Lee, S.-Y, Zhang, F. | | Deposit date: | 2022-12-01 | | Release date: | 2023-07-12 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.47 Å) | | Cite: | TRPV4-Rho GTPase complex structures reveal mechanisms of gating and disease.
Nat Commun, 14, 2023
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8FCB
 | | Cryo-EM structure of the human TRPV4 - RhoA in complex with GSK1016790A | | Descriptor: | 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, CHOLESTEROL HEMISUCCINATE, N-[(2S)-1-{4-[N-(2,4-dichlorobenzene-1-sulfonyl)-L-seryl]piperazin-1-yl}-4-methyl-1-oxopentan-2-yl]-1-benzothiophene-2-carboxamide, ... | | Authors: | Kwon, D.H, Lee, S.-Y, Zhang, F. | | Deposit date: | 2022-12-01 | | Release date: | 2023-07-12 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.52 Å) | | Cite: | TRPV4-Rho GTPase complex structures reveal mechanisms of gating and disease.
Nat Commun, 14, 2023
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3RZ0
 | | Fluoroalkyl and Alkyl Chains Have Similar Hydrophobicities in Binding to the Hydrophobic Wall of Carbonic Anhydrase | | Descriptor: | Carbonic anhydrase 2, N-butyl-4-sulfamoylbenzamide, ZINC ION | | Authors: | Snyder, P.W, Bai, S, Heroux, A, Whitesides, G.W. | | Deposit date: | 2011-05-11 | | Release date: | 2011-08-10 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.798 Å) | | Cite: | Fluoroalkyl and alkyl chains have similar hydrophobicities in binding to the "hydrophobic wall" of carbonic anhydrase.
J.Am.Chem.Soc., 133, 2011
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2AS2
 | | cytochrome c peroxidase in complex with 2-iminopiperidine | | Descriptor: | Cytochrome c peroxidase, mitochondrial, PIPERIDIN-2-IMINE, ... | | Authors: | Brenk, R, Vetter, S.W, Boyce, S.E, Goodin, D.B, Shoichet, B.K. | | Deposit date: | 2005-08-22 | | Release date: | 2006-04-11 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Probing molecular docking in a charged model binding site.
J.Mol.Biol., 357, 2006
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