7KVM
 
 | | Human CYP3A4 bound to an inhibitor | | Descriptor: | Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2S)-1-{[(2R)-2-benzyl-3-oxo-3-{[3-(pyridin-3-yl)propyl]amino}propyl]sulfanyl}-3-phenylpropan-2-yl]carbamate | | Authors: | Sevrioukova, I. | | Deposit date: | 2020-11-28 | | Release date: | 2021-01-20 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Rational Design of CYP3A4 Inhibitors: A One-Atom Linker Elongation in Ritonavir-Like Compounds Leads to a Marked Improvement in the Binding Strength.
Int J Mol Sci, 22, 2021
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7KVP
 | | Human CYP3A4 bound to an inhibitor | | Descriptor: | Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2R)-1-(naphthalen-1-yl)-3-{[(2S)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate | | Authors: | Sevrioukova, I. | | Deposit date: | 2020-11-28 | | Release date: | 2021-01-20 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Rational Design of CYP3A4 Inhibitors: A One-Atom Linker Elongation in Ritonavir-Like Compounds Leads to a Marked Improvement in the Binding Strength.
Int J Mol Sci, 22, 2021
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2B0L
 | | C-terminal DNA binding domain of transcriptional pleiotropic repressor CodY. | | Descriptor: | GTP-sensing transcriptional pleiotropic repressor codY | | Authors: | Levdikov, V.M, Blagova, E, Joseph, P, Sonenshein, A.L, Wilkinson, A.J. | | Deposit date: | 2005-09-14 | | Release date: | 2006-02-21 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | The Structure of CodY, a GTP- and Isoleucine-responsive Regulator of Stationary Phase and Virulence in Gram-positive Bacteria.
J.Biol.Chem., 281, 2006
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6T2D
 | | Multicomponent Peptide Stapling as a Diversity-Driven Tool for the Development of Inhibitors of Protein-Protein Interactions | | Descriptor: | 2-(methylamino)-~{N}-[[4-[[2-(methylamino)ethanoylamino]methyl]phenyl]methyl]ethanamide, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DIMETHYL SULFOXIDE, ... | | Authors: | Groves, R.M, Ali, M.A, Atmaj, J, van Oosterwijk, N, Domling, A, Rivera, G.D, Ricardo, G.M. | | Deposit date: | 2019-10-08 | | Release date: | 2020-01-29 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Multicomponent Peptide Stapling as a Diversity-Driven Tool for the Development of Inhibitors of Protein-Protein Interactions.
Angew.Chem.Int.Ed.Engl., 59, 2020
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5W58
 | | Crystal Complex of Cyclooxygenase-2: (S)-ARN-2508 (a dual COX and FAAH inhibitor) | | Descriptor: | (2S)-2-{2-fluoro-3'-[(hexylcarbamoyl)oxy][1,1'-biphenyl]-4-yl}propanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Xu, S, Goodman, M.C, Banerjee, S, Piomelli, D, Marnett, L.J. | | Deposit date: | 2017-06-14 | | Release date: | 2018-01-31 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.267 Å) | | Cite: | Dual cyclooxygenase-fatty acid amide hydrolase inhibitor exploits novel binding interactions in the cyclooxygenase active site.
J. Biol. Chem., 293, 2018
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5VQ4
 | | Nitrogenase Av1 at pH 5 | | Descriptor: | 3-HYDROXY-3-CARBOXY-ADIPIC ACID, FE (III) ION, FE(8)-S(7) CLUSTER, ... | | Authors: | Morrison, C.N, Spatzal, T, Rees, D.C. | | Deposit date: | 2017-05-07 | | Release date: | 2017-07-26 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Reversible Protonated Resting State of the Nitrogenase Active Site.
J. Am. Chem. Soc., 139, 2017
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3E79
 | | Structure determination of the cancer-associated Mycoplasma hyorhinis protein Mh-p37 | | Descriptor: | 5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Sippel, K.H, Robbins, A.H, Reutzel, R, Domsic, J, McKenna, R. | | Deposit date: | 2008-08-18 | | Release date: | 2008-10-21 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure determination of the cancer-associated Mycoplasma hyorhinis protein Mh-p37.
Acta Crystallogr.,Sect.D, 64, 2008
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3E84
 | | Structure-function Analysis of 2-Keto-3-deoxy-D-glycero-D-galacto-nononate-9-phosphate (KDN) Phosphatase Defines a New Clad Within the Type C0 HAD Subfamily | | Descriptor: | 1,2-ETHANEDIOL, Acylneuraminate cytidylyltransferase, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Lu, Z, Wang, L, Dunaway-Mariano, D, Allen, K.N. | | Deposit date: | 2008-08-19 | | Release date: | 2008-11-04 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structure-Function Analysis of 2-Keto-3-deoxy-D-glycero-D-galactonononate-9-phosphate Phosphatase Defines Specificity Elements in Type C0 Haloalkanoate Dehalogenase Family Members.
J.Biol.Chem., 284, 2009
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3PYC
 | | Crystal structure of human SMURF1 C2 domain | | Descriptor: | CHLORIDE ION, E3 ubiquitin-protein ligase SMURF1, SULFATE ION | | Authors: | Li, X, Li, P. | | Deposit date: | 2010-12-13 | | Release date: | 2011-04-06 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Crystal structure of human SMURF1 C2 domain
To be Published
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3EI3
 | | Structure of the hsDDB1-drDDB2 complex | | Descriptor: | DNA damage-binding protein 1, DNA damage-binding protein 2, TETRAETHYLENE GLYCOL | | Authors: | Scrima, A, Thoma, N.H. | | Deposit date: | 2008-09-15 | | Release date: | 2009-01-20 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural basis of UV DNA-damage recognition by the DDB1-DDB2 complex.
Cell(Cambridge,Mass.), 135, 2008
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5VPW
 | | Nitrogenase Cp1 at pH 5 | | Descriptor: | 3-HYDROXY-3-CARBOXY-ADIPIC ACID, FE (II) ION, FE(8)-S(7) CLUSTER, ... | | Authors: | Morrison, C.N, Spatzal, T, Rees, D.C. | | Deposit date: | 2017-05-05 | | Release date: | 2017-07-26 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Reversible Protonated Resting State of the Nitrogenase Active Site.
J. Am. Chem. Soc., 139, 2017
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3EQY
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1KXG
 | | The 2.0 Ang Resolution Structure of BLyS, B Lymphocyte Stimulator. | | Descriptor: | 1,4-DIETHYLENE DIOXIDE, B lymphocyte stimulator, CITRIC ACID, ... | | Authors: | Oren, D.A, Li, Y, Volovik, Y, Morris, T.S, Dharia, C, Das, K, Galperina, O, Gentz, R, Arnold, E. | | Deposit date: | 2002-01-31 | | Release date: | 2002-03-20 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural basis of BLyS receptor recognition.
Nat.Struct.Biol., 9, 2002
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6W67
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6JCJ
 | | Structure of crolibulin in complex with tubulin | | Descriptor: | (4R)-2,7,8-triamino-4-(3-bromo-4,5-dimethoxyphenyl)-4H-1-benzopyran-3-carbonitrile, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Zhang, Z, Yang, J. | | Deposit date: | 2019-01-29 | | Release date: | 2019-03-13 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Molecular mechanism of crolibulin in complex with tubulin provides a rationale for drug design.
Biochem. Biophys. Res. Commun., 511, 2019
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1Q4S
 | | Crystal structure of Arthrobacter sp. strain SU 4-hydroxybenzoyl CoA thioesterase complexed with CoA and 4-hydroxybenzoic acid | | Descriptor: | COENZYME A, P-HYDROXYBENZOIC ACID, Thioesterase | | Authors: | Thoden, J.B, Zhuang, Z, Dunaway-Mariano, D, Holden, H.M. | | Deposit date: | 2003-08-04 | | Release date: | 2003-09-23 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | The Structure of 4-Hydroxybenzoyl-CoA Thioesterase from Arthrobacter sp. strain SU
J.Biol.Chem., 278, 2003
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1Q4U
 | | Crystal structure of 4-hydroxybenzoyl CoA thioesterase from arthrobacter sp. strain SU complexed with 4-hydroxybenzyl CoA | | Descriptor: | 1,2-ETHANEDIOL, 4-HYDROXYBENZYL COENZYME A, Thioesterase | | Authors: | Thoden, J.B, Zhuang, Z, Dunaway-Mariano, D, Holden, H.M. | | Deposit date: | 2003-08-04 | | Release date: | 2003-09-23 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The Structure of 4-Hydroxybenzoyl-CoA Thioesterase from Arthrobacter sp. strain SU
J.Biol.Chem., 278, 2003
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4PPJ
 | | Crystal structure of Phanta, a weakly fluorescent photochromic GFP-like protein. ON state | | Descriptor: | Monomeric Azami Green | | Authors: | Don Paul, C, Traore, D.A.K, Devenish, R.J, Close, D, Bell, T, Bradbury, A, Wilce, M.C.J, Prescott, M. | | Deposit date: | 2014-02-27 | | Release date: | 2015-04-08 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | X-Ray Crystal Structure and Properties of Phanta, a Weakly Fluorescent Photochromic GFP-Like Protein.
Plos One, 10, 2015
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1Q4T
 | | crystal structure of 4-hydroxybenzoyl CoA thioesterase from Arthrobacter sp. strain SU complexed with 4-hydroxyphenyl CoA | | Descriptor: | 1,2-ETHANEDIOL, 4-HYDROXYPHENACYL COENZYME A, CHLORIDE ION, ... | | Authors: | Thoden, J.B, Zhuang, Z, Dunaway-Mariano, D, Holden, H.M. | | Deposit date: | 2003-08-04 | | Release date: | 2003-09-23 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The Structure of 4-Hydroxybenzoyl-CoA Thioesterase from Arthrobacter sp. strain SU
J.Biol.Chem., 278, 2003
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3LIW
 | | Factor XA in complex with (R)-2-(1-ADAMANTYLCARBAMOYLAMINO)-3-(3-CARBAMIDOYL-PHENYL)-N-PHENETHYL-PROPIONIC ACID AMIDE | | Descriptor: | (R)-2-(3-ADAMANTAN-1-YL-UREIDO)-3-(3-CARBAMIMIDOYL-PHENYL)-N-PHENETHYL-PROPIONAMIDE, Activated factor Xa heavy chain, CALCIUM ION, ... | | Authors: | Mueller, M.M, Sperl, S, Sturzebecher, J, Bode, W, Moroder, L. | | Deposit date: | 2010-01-25 | | Release date: | 2010-04-07 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | (R)-3-Amidinophenylalanine-Derived Inhibitors of Factor Xa with a Novel Active-Site Binding Mode
Biol.Chem., 383, 2003
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5C9I
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5CBM
 | | Crystal structure of PfA-M17 with virtual ligand inhibitor | | Descriptor: | (2S)-2-{[(R)-[(R)-amino(phenyl)methyl](hydroxy)phosphoryl]methyl}-4-methylpentanoic acid, CARBONATE ION, GLYCEROL, ... | | Authors: | Ruggeri, C, Drinkwater, N, McGowan, S. | | Deposit date: | 2015-07-01 | | Release date: | 2015-10-07 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Identification and Validation of a Potent Dual Inhibitor of the P. falciparum M1 and M17 Aminopeptidases Using Virtual Screening.
Plos One, 10, 2015
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1YTI
 | | SIV PROTEASE CRYSTALLIZED WITH PEPTIDE PRODUCT | | Descriptor: | PEPTIDE PRODUCT, SIV PROTEASE | | Authors: | Rose, R.B, Craik, C.S, Douglas, N.L, Stroud, R.M. | | Deposit date: | 1996-08-01 | | Release date: | 1997-03-12 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Three-dimensional structures of HIV-1 and SIV protease product complexes.
Biochemistry, 35, 1996
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3H2J
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4OQE
 | | Crystal structure of the tylM1 N,N-dimethyltransferase in complex with SAH and TDP-Fuc3NMe | | Descriptor: | S-ADENOSYL-L-HOMOCYSTEINE, dTDP-3-N-methylamino-3,6-dideoxygalactose, dTDP-3-amino-3,6-dideoxy-alpha-D-glucopyranose N,N-dimethyltransferase | | Authors: | Thoden, J.B, Holden, H.M. | | Deposit date: | 2014-02-08 | | Release date: | 2014-02-26 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Production of a novel N-monomethylated dideoxysugar.
Biochemistry, 53, 2014
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