1C0M
 
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4YMG
 | | Crystal structure of SAM-bound Podospora anserina methyltransferase PaMTH1 | | Descriptor: | MAGNESIUM ION, PHOSPHATE ION, Putative SAM-dependent O-methyltranferase, ... | | Authors: | Kudlinzki, D, Linhard, V.L, Chatterjee, D, Saxena, K, Sreeramulu, S, Schwalbe, H. | | Deposit date: | 2015-03-06 | | Release date: | 2015-05-27 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.899 Å) | | Cite: | Structure and Biophysical Characterization of the S-Adenosylmethionine-dependent O-Methyltransferase PaMTH1, a Putative Enzyme Accumulating during Senescence of Podospora anserina.
J.Biol.Chem., 290, 2015
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6XD3
 | | Structure of the human CAK in complex with THZ1 | | Descriptor: | CDK-activating kinase assembly factor MAT1, Cyclin-H, Cyclin-dependent kinase 7, ... | | Authors: | Greber, B.J, Perez-Bertoldi, J.M, Lim, K, Iavarone, A.T, Toso, D.B, Nogales, E. | | Deposit date: | 2020-06-09 | | Release date: | 2020-09-09 | | Last modified: | 2020-09-30 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | The cryoelectron microscopy structure of the human CDK-activating kinase.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6B9Y
 | | Trastuzumab Fab v3 in complex with 5-phenyl meditope variant | | Descriptor: | Immunoglobulin G binding protein A, Protein L, Trastuzumab Fab heavy chain, ... | | Authors: | Bzymek, K.P, King, J.D, Williams, J.C. | | Deposit date: | 2017-10-11 | | Release date: | 2018-09-05 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Template-Catalyzed, Disulfide Conjugation of Monoclonal Antibodies Using a Natural Amino Acid Tag.
Bioconjug. Chem., 29, 2018
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1BS4
 | | PEPTIDE DEFORMYLASE AS ZN2+ CONTAINING FORM (NATIVE) IN COMPLEX WITH INHIBITOR POLYETHYLENE GLYCOL | | Descriptor: | NONAETHYLENE GLYCOL, PROTEIN (PEPTIDE DEFORMYLASE), SULFATE ION, ... | | Authors: | Becker, A, Schlichting, I, Kabsch, W, Groche, D, Schultz, S, Wagner, A.F.V. | | Deposit date: | 1998-09-01 | | Release date: | 1999-08-27 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Iron center, substrate recognition and mechanism of peptide deformylase.
Nat.Struct.Biol., 5, 1998
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6B9Z
 | | Trastuzumab Fab v3 | | Descriptor: | Immunoglobulin G binding protein A, Protein L, Trastuzumab Fab heavy chain, ... | | Authors: | Bzymek, K.P, King, J.D, Williams, J.C. | | Deposit date: | 2017-10-11 | | Release date: | 2018-09-05 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Template-Catalyzed, Disulfide Conjugation of Monoclonal Antibodies Using a Natural Amino Acid Tag.
Bioconjug. Chem., 29, 2018
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1BVB
 | | HEME-PACKING MOTIFS REVEALED BY THE CRYSTAL STRUCTURE OF CYTOCHROME C554 FROM NITROSOMONAS EUROPAEA | | Descriptor: | CYTOCHROME C-554, PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Iverson, T.M, Arciero, D.M, Hsu, B.T, Logan, M.S.P, Hooper, A.B, Rees, D.C. | | Deposit date: | 1998-09-16 | | Release date: | 1999-05-18 | | Last modified: | 2019-08-14 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Heme packing motifs revealed by the crystal structure of the tetra-heme cytochrome c554 from Nitrosomonas europaea.
Nat.Struct.Biol., 5, 1998
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6BAS
 | | Crystal structure of Thermus thermophilus Rod shape determining protein RodA D255A mutant (Q5SIX3_THET8) | | Descriptor: | CHLORIDE ION, Peptidoglycan glycosyltransferase RodA | | Authors: | Sjodt, M, Brock, K, Dobihal, G, Rohs, P.D.A, Green, A.G, Hopf, T.A, Meeske, A.J, Marks, D.S, Bernhardt, T.G, Rudner, D.Z, Kruse, A.C. | | Deposit date: | 2017-10-15 | | Release date: | 2018-03-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.194 Å) | | Cite: | Structure of the peptidoglycan polymerase RodA resolved by evolutionary coupling analysis.
Nature, 556, 2018
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4G20
 | | Structural basis for the accommodation of bis- and tris-aromatic derivatives in Vitamin D Nuclear Receptor | | Descriptor: | 3-(5'-{2-[3,4-bis(hydroxymethyl)phenyl]ethyl}-2'-methyl-2-propylbiphenyl-4-yl)pentan-3-ol, Nuclear receptor coactivator 1, Vitamin D3 receptor A | | Authors: | Ciesielski, F, Sato, Y, Moras, D, Rochel, N. | | Deposit date: | 2012-07-11 | | Release date: | 2012-09-26 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structural basis for the accommodation of bis- and tris-aromatic derivatives in vitamin d nuclear receptor.
J.Med.Chem., 55, 2012
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6XB2
 | | Room temperature X-ray crystallography reveals catalytic cysteine in the SARS-CoV-2 3CL Mpro is highly reactive: Insights for enzyme mechanism and drug design | | Descriptor: | 1-ETHYL-PYRROLIDINE-2,5-DIONE, 3C-like proteinase, DIMETHYL SULFOXIDE | | Authors: | Kneller, D.W, Kovalevsky, A, Coates, L. | | Deposit date: | 2020-06-05 | | Release date: | 2020-06-17 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Room-temperature X-ray crystallography reveals the oxidation and reactivity of cysteine residues in SARS-CoV-2 3CL M pro : insights into enzyme mechanism and drug design.
Iucrj, 7, 2020
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1BU3
 | | REFINED CRYSTAL STRUCTURE OF CALCIUM-BOUND SILVER HAKE (PI 4.2) PARVALBUMIN AT 1.65 A. | | Descriptor: | CALCIUM ION, CALCIUM-BINDING PROTEIN | | Authors: | Richardson, R.C, Nelson, D.J, Royer, W.E, Harrington, D.J. | | Deposit date: | 1998-08-30 | | Release date: | 1999-08-10 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | X-Ray crystal structure and molecular dynamics simulations of silver hake parvalbumin (Isoform B).
Protein Sci., 9, 2000
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1BKZ
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8OFW
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7TEV
 | | Human Ornithine Aminotransferase cocrystallized with its inhibitor, (3S,4R)-3-amino-4-(difluoromethyl)cyclopent-1-ene-1-carboxylate | | Descriptor: | (1S,3R,4S)-3-formyl-4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]cyclopentane-1-carboxylic acid, Ornithine aminotransferase, mitochondrial | | Authors: | Butrin, A, Zhu, W, Silverman, R, Liu, D. | | Deposit date: | 2022-01-05 | | Release date: | 2022-04-06 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Rational Design, Synthesis, and Mechanism of (3 S ,4 R )-3-Amino-4-(difluoromethyl)cyclopent-1-ene-1-carboxylic Acid: Employing a Second-Deprotonation Strategy for Selectivity of Human Ornithine Aminotransferase over GABA Aminotransferase.
J.Am.Chem.Soc., 144, 2022
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1BR5
 | | RICIN A CHAIN (RECOMBINANT) COMPLEX WITH NEOPTERIN | | Descriptor: | NEOPTERIN, PROTEIN (RICIN) | | Authors: | Day, P, Yan, X, Hollis, T, Svinth, M, Monzingo, A.F, Milne, G.W.A, Robertus, J.D. | | Deposit date: | 1998-08-26 | | Release date: | 1998-09-02 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure-based identification of a ricin inhibitor.
J.Mol.Biol., 266, 1997
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5KDM
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6XTK
 | | Y114C Transthyretin structure in complex with Tolcalpone | | Descriptor: | Tolcapone, Transthyretin | | Authors: | Varejao, N, Reverter, D, Pinheiro, F, Pallares, I, Ventura, S. | | Deposit date: | 2020-01-16 | | Release date: | 2020-05-13 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Tolcapone, a potent aggregation inhibitor for the treatment of familial leptomeningeal amyloidosis.
Febs J., 288, 2021
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6BE9
 | | Solution structure of de novo macrocycle design7.1 | | Descriptor: | T(DLY)NDT(DSG)(DPR) | | Authors: | Shortridge, M.D, Hosseinzadeh, P, Pardo-Avila, F, Varani, G, Baker, B. | | Deposit date: | 2017-10-24 | | Release date: | 2017-12-27 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Comprehensive computational design of ordered peptide macrocycles.
Science, 358, 2017
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4YAV
 | | Crystal structure of LigG in complex with B-glutathionyl-acetoveratrone (GS-AV) from Sphingobium sp. strain SYK-6 | | Descriptor: | Glutathione S-transferase, L-gamma-glutamyl-3-{(E)-[2-(3,4-dimethoxyphenyl)-2-oxoethylidene]-lambda~4~-sulfanyl}-L-alanylglycine, SULFATE ION | | Authors: | Pereira, J.H, McAndrew, R.P, Heins, R.A, Sale, K.L, Simmons, B.A, Adams, P.D. | | Deposit date: | 2015-02-17 | | Release date: | 2016-03-09 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.401 Å) | | Cite: | Structural and Biochemical Characterization of the Early and Late Enzymes in the Lignin beta-Aryl Ether Cleavage Pathway from Sphingobium sp. SYK-6.
J.Biol.Chem., 291, 2016
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6W2E
 | | Structures of Capsid and Capsid-Associated Tegument Complex inside the Epstein-Barr Virus | | Descriptor: | Capsid vertex component 1, Capsid vertex component 2, Large tegument protein deneddylase, ... | | Authors: | Liu, W, Cui, Y.X, Wang, C.Y, Li, Z.H, Gong, D.Y, Dai, X.H, Bi, G.Q, Sun, R, Zhou, Z.H. | | Deposit date: | 2020-03-05 | | Release date: | 2020-07-15 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (4.4 Å) | | Cite: | Structures of capsid and capsid-associated tegument complex inside the Epstein-Barr virus.
Nat Microbiol, 5, 2020
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7NK0
 | | Structure of the BIR1 domain of cIAP2 | | Descriptor: | Baculoviral IAP repeat-containing protein 3, ZINC ION | | Authors: | Cossu, F, Milani, M, Mastrangelo, E, Mirdita, D. | | Deposit date: | 2021-02-17 | | Release date: | 2022-01-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Structure-based identification of a new IAP-targeting compound that induces cancer cell death inducing NF-kappa B pathway.
Comput Struct Biotechnol J, 19, 2021
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8Y7R
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6FFX
 | | Crystal structure of R. ruber ADH-A, mutant F43H | | Descriptor: | Alcohol dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ZINC ION | | Authors: | Dobritzsch, D, Maurer, D, Hamnevik, E, Enugala, T.R, Widersten, M. | | Deposit date: | 2018-01-09 | | Release date: | 2018-02-14 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Directed Evolution of Alcohol Dehydrogenase for Improved Stereoselective Redox Transformations of 1-Phenylethane-1,2-diol and Its Corresponding Acyloin.
Biochemistry, 57, 2018
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8C5I
 | | Cyanide dihydratase from Bacillus pumilus C1 variant - Q86R,H305K,H308K,H323K | | Descriptor: | Cyanide dihydratase | | Authors: | Mulelu, A.E, Reitz, J, van Rooyen, J, Scheffer, M, Frangakis, A.S, Dlamini, L.S, Woodward, J.D, Benedik, M.J, Sewell, B.T. | | Deposit date: | 2023-01-09 | | Release date: | 2023-01-18 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (3.15 Å) | | Cite: | The Role of Histidine Residues in the Oligomerization of Cyanide Dihydratase from Bacillus pumilus C1
To Be Published
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8BZV
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