1ONY
 
 | | Oxalyl-Aryl-Amino Benzoic Acid inhibitors of PTP1B, compound 17 | | Descriptor: | 2-{[2-(2-CARBAMOYL-VINYL)-4-(2-METHANESULFONYLAMINO-2-PENTYLCARBAMOYL-ETHYL)-PHENYL]-OXALYL-AMINO}-BENZOIC ACID, Protein-tyrosine phosphatase, non-receptor type 1 | | Authors: | Liu, G, Szczepankiewicz, B.G, Pei, Z, Janowich, D.A, Xin, Z, Hadjuk, P.J, Abad-Zapatero, C, Liang, H, Hutchins, C.W, Fesik, S.W, Ballaron, S.J, Stashko, M.A, Lubben, T, Mika, A.K, Zinker, B.A, Trevillyan, J.M, Jirousek, M.R. | | Deposit date: | 2003-03-02 | | Release date: | 2003-05-20 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Discovery and Structure-Activity Relationship of Oxalylarylaminobenzoic
Acids as Inhibitors of Protein Tyrosine Phosphatase 1B
J.Med.Chem., 46, 2003
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8GK3
 | | Cytochrome P450 3A7 in complex with Dehydroepiandrosterone sulfate | | Descriptor: | 17-oxoandrost-5-en-3beta-yl hydrogen sulfate, Cytochrome P450 3A7, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Liu, J, Scott, E.E. | | Deposit date: | 2023-03-16 | | Release date: | 2023-07-26 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Human cytochrome P450 3A7 binding four copies of its native substrate dehydroepiandrosterone 3-sulfate.
J.Biol.Chem., 299, 2023
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4IQB
 | | High Resolution Crystal Structure of C.elegans Thymidylate Synthase | | Descriptor: | SULFATE ION, Thymidylate synthase | | Authors: | Wilk, P, Dowiercial, A, Banaszak, K, Jarmula, A, Rypniewski, W, Rode, W. | | Deposit date: | 2013-01-11 | | Release date: | 2014-01-22 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.13 Å) | | Cite: | Crystal structures of nematode (parasitic T. spiralis and free living C. elegans), compared to mammalian, thymidylate synthases (TS). Molecular docking and molecular dynamics simulations in search for nematode-specific inhibitors of TS.
J. Mol. Graph. Model., 77, 2017
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8GU0
 | | Crystal structure of a fungal halogenase RadH | | Descriptor: | CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, Non-heme halogenase radH, ... | | Authors: | Jiang, S.M, Brown, C.J. | | Deposit date: | 2022-09-09 | | Release date: | 2023-07-26 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | Further Characterization of Fungal Halogenase RadH and Its Homologs.
Biomolecules, 13, 2023
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4QV7
 | | yCP beta5-A50V mutant | | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Probable proteasome subunit alpha type-7, ... | | Authors: | Huber, E.M, Heinemeyer, W, Groll, M. | | Deposit date: | 2014-07-14 | | Release date: | 2015-02-04 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Bortezomib-Resistant Mutant Proteasomes: Structural and Biochemical Evaluation with Carfilzomib and ONX 0914.
Structure, 23, 2015
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3B35
 | | Crystal structure of the M180A mutant of the aminopeptidase from Vibrio proteolyticus | | Descriptor: | Bacterial leucyl aminopeptidase, SODIUM ION, THIOCYANATE ION, ... | | Authors: | Ataie, N.J, Hoang, Q.Q, Petsko, G.A, Ringe, D. | | Deposit date: | 2007-10-19 | | Release date: | 2007-11-27 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Zinc coordination geometry and ligand binding affinity: the structural and kinetic analysis of the second-shell serine 228 residue and the methionine 180 residue of the aminopeptidase from Vibrio proteolyticus.
Biochemistry, 47, 2008
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4QW0
 | | yCP beta5-A49T-A50V-double mutant in complex with bortezomib | | Descriptor: | CHLORIDE ION, MAGNESIUM ION, N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE, ... | | Authors: | Huber, E.M, Heinemeyer, W, Groll, M. | | Deposit date: | 2014-07-16 | | Release date: | 2015-02-04 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Bortezomib-Resistant Mutant Proteasomes: Structural and Biochemical Evaluation with Carfilzomib and ONX 0914.
Structure, 23, 2015
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3B3T
 | | Crystal structure of the D118N mutant of the aminopeptidase from Vibrio proteolyticus | | Descriptor: | Bacterial leucyl aminopeptidase, ISOLEUCINE, SODIUM ION, ... | | Authors: | Ataie, N.J, Hoang, Q.Q, Zahniser, M.P.D, Milne, A, Petsko, G.A, Ringe, D. | | Deposit date: | 2007-10-22 | | Release date: | 2007-11-27 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.17 Å) | | Cite: | Zinc coordination geometry and ligand binding affinity: the structural and kinetic analysis of the second-shell serine 228 residue and the methionine 180 residue of the aminopeptidase from Vibrio proteolyticus.
Biochemistry, 47, 2008
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7PEQ
 | | Model of the outer rings of the human nuclear pore complex | | Descriptor: | Nuclear pore complex protein Nup107, Nuclear pore complex protein Nup133, Nuclear pore complex protein Nup160, ... | | Authors: | Schuller, A.P, Wojtynek, M, Mankus, D, Tatli, M, Kronenberg-Tenga, R, Regmi, S.G, Dasso, M, Weis, K, Medalia, O, Schwartz, T.U. | | Deposit date: | 2021-08-11 | | Release date: | 2021-10-20 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (35 Å) | | Cite: | The cellular environment shapes the nuclear pore complex architecture.
Nature, 598, 2021
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4R17
 | | Ligand-induced aziridine-formation at subunit beta5 of the yeast 20S proteasome | | Descriptor: | (2S,3S)-3-methylaziridine-2-carboxylic acid, MAGNESIUM ION, Proteasome subunit alpha type-1, ... | | Authors: | Dubiella, C, Cui, H, Gersch, M, Brouwer, A.J, Sieber, S.A, Krueger, A, Liskamp, R, Groll, M. | | Deposit date: | 2014-08-04 | | Release date: | 2014-10-15 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Selective inhibition of the immunoproteasome by ligand-induced crosslinking of the active site.
Angew.Chem.Int.Ed.Engl., 53, 2014
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6WPT
 | | Structure of the SARS-CoV-2 spike glycoprotein in complex with the S309 neutralizing antibody Fab fragment (open state) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, S309 neutralizing antibody heavy chain, ... | | Authors: | Pinto, D, Park, Y.J, Beltramello, M, Walls, A.C, Tortorici, M.A, Bianchi, S, Jaconi, S, Culap, K, Zatta, F, De Marco, A, Peter, A, Guarino, B, Spreafico, R, Cameroni, E, Case, J.B, Chen, R.E, Havenar-Daughton, C, Snell, G, Virgin, H.W, Lanzavecchia, A, Diamond, M.S, Fink, K, Veesler, D, Corti, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | | Deposit date: | 2020-04-27 | | Release date: | 2020-05-27 | | Last modified: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Cross-neutralization of SARS-CoV-2 by a human monoclonal SARS-CoV antibody.
Nature, 583, 2020
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4QZ5
 | | yCP beta5-A49T-mutant in complex with ONX 0914 | | Descriptor: | 1,2,4-trideoxy-4-methyl-2-{[N-(morpholin-4-ylacetyl)-L-alanyl-O-methyl-L-tyrosyl]amino}-1-phenyl-D-xylitol, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ... | | Authors: | Huber, E.M, Heinemeyer, W, Groll, M. | | Deposit date: | 2014-07-27 | | Release date: | 2015-02-04 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Bortezomib-Resistant Mutant Proteasomes: Structural and Biochemical Evaluation with Carfilzomib and ONX 0914.
Structure, 23, 2015
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5WDH
 | | Motor domain of human kinesin family member C1 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein KIFC1, MAGNESIUM ION, ... | | Authors: | Zhu, H, Tempel, W, He, H, Shen, Y, Wang, J, Brothers, G, Landry, R, Arrowsmith, C.H, Edwards, A.M, Park, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2017-07-05 | | Release date: | 2017-08-09 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.248 Å) | | Cite: | Structural basis of small molecule ATPase inhibition of a human mitotic kinesin motor protein.
Sci Rep, 7, 2017
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3BHF
 | | Crystal structure of R49K mutant of Monomeric Sarcosine Oxidase crystallized in PEG as precipitant | | Descriptor: | CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, Monomeric sarcosine oxidase | | Authors: | Hassan-Abdallah, A, Zhao, G, Chen, Z, Mathews, F.S, Jorns, M.S. | | Deposit date: | 2007-11-28 | | Release date: | 2008-02-26 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Arginine 49 is a bifunctional residue important in catalysis and biosynthesis of monomeric sarcosine oxidase: a context-sensitive model for the electrostatic impact of arginine to lysine mutations.
Biochemistry, 47, 2008
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1OH5
 | | THE CRYSTAL STRUCTURE OF E. COLI MUTS BINDING TO DNA WITH A C:A MISMATCH | | Descriptor: | 5'-D(*AP*GP*CP*TP*GP*CP*CP*AP*CP*GP *CP*AP*CP*CP*AP*GP*TP*GP*TP*CP*AP*GP*CP*GP*TP *CP*CP*TP*AP*T)-3', 5'-D(*AP*TP*AP*GP*GP*AP*CP*GP*CP*TP *GP*AP*CP*AP*CP*TP*GP*GP*TP*GP*CP*AP*TP*GP*GP *CP*AP*GP*CP*T)-3', ADENOSINE-5'-DIPHOSPHATE, ... | | Authors: | Natrajan, G, Lamers, M.H, Enzlin, J.H, Winterwerp, H.H.K, Perrakis, A, Sixma, T.K. | | Deposit date: | 2003-05-23 | | Release date: | 2003-08-08 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structures of E. Coli DNA Mismatch Repair Enzyme Muts in Complex with Different Mismatches: A Common Recognition Mode for Diverse Substrates
Nucleic Acids Res., 31, 2003
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1OH6
 | | THE CRYSTAL STRUCTURE OF E. COLI MUTS BINDING TO DNA WITH AN A:A MISMATCH | | Descriptor: | 5'-D(*AP*GP*CP*TP*GP*CP*CP*AP*AP*GP *CP*AP*CP*CP*AP*GP*TP*GP*TP*CP*AP*GP*CP*GP*TP* CP*CP*TP*AP*T)-3', 5'-D(*AP*TP*AP*GP*GP*AP*CP*GP*CP*TP *GP*AP*CP*AP*CP*TP*GP*GP*TP*GP*CP*AP*TP*GP*GP* CP*AP*GP*CP*T)-3', ADENOSINE-5'-DIPHOSPHATE, ... | | Authors: | Natrajan, G, Lamers, M.H, Enzlin, J.H, Winterwerp, H.H.K, Perrakis, A, Sixma, T.K. | | Deposit date: | 2003-05-23 | | Release date: | 2003-08-08 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structures of E. Coli DNA Mismatch Repair Enzyme Muts in Complex with Different Mismatches: A Common Recognition Mode for Diverse Substrates
Nucleic Acids Res., 31, 2003
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4LXS
 | | Structure of the Toll - Spatzle complex, a molecular hub in Drosophila development and innate immunity (glycosylated form) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | Authors: | Stelter, M, Parthier, C, Breithaupt, C, Stubbs, M.T. | | Deposit date: | 2013-07-30 | | Release date: | 2014-04-09 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Structure of the Toll-Spatzle complex, a molecular hub in Drosophila development and innate immunity.
Proc.Natl.Acad.Sci.USA, 111, 2014
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5XKC
 | | Crystal structure of dibenzothiophene sulfone monooxygenase BdsA at 2.2 angstrome | | Descriptor: | Dibenzothiophene desulfurization enzyme A | | Authors: | Gu, L, Su, T, Liu, S, Su, J. | | Deposit date: | 2017-05-07 | | Release date: | 2018-05-09 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.209 Å) | | Cite: | Structural and Biochemical Characterization of BdsA fromBacillus subtilisWU-S2B, a Key Enzyme in the "4S" Desulfurization Pathway.
Front Microbiol, 9, 2018
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1OOJ
 | | Structural genomics of Caenorhabditis elegans : Calmodulin | | Descriptor: | CALCIUM ION, Calmodulin CMD-1 | | Authors: | Symersky, J, Lin, G, Li, S, Qiu, S, Luan, C.-H, Luo, D, Tsao, J, Carson, M, DeLucas, L, Luo, M, Southeast Collaboratory for Structural Genomics (SECSG) | | Deposit date: | 2003-03-03 | | Release date: | 2003-03-25 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Structural genomics of caenorhabditis elegans: crystal structure of calmodulin.
Proteins, 53, 2003
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1OH8
 | | THE CRYSTAL STRUCTURE OF E. COLI MUTS BINDING TO DNA WITH AN UNPAIRED THYMIDINE | | Descriptor: | 5'-D(*AP*GP*CP*TP*GP*CP*CP*AP*GP*GP *CP*AP*CP*CP*AP*GP*TP*GP*TP*CP*AP*GP*CP*GP*TP*CP*CP* TP*AP*T)-3', 5'-D(*AP*TP*AP*GP*GP*AP*CP*GP*CP*TP *GP*AP*CP*AP*CP*TP*GP*GP*TP*GP*CP*CP*TP*TP*GP*GP*CP* AP*GP*CP*T)-3', ADENOSINE-5'-DIPHOSPHATE, ... | | Authors: | Natrajan, G, Lamers, M.H, Enzlin, J.H, Winterwerp, H.H.K, Perrakis, A, Sixma, T.K. | | Deposit date: | 2003-05-23 | | Release date: | 2003-08-08 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structures of E. Coli DNA Mismatch Repair Enzyme Muts in Complex with Different Mismatches: A Common Recognition Mode for Diverse Substrates
Nucleic Acids Res., 31, 2003
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6XZ9
 | | Structure of aldosterone synthase (CYP11B2) in complex with 5-chloro-3,3-dimethyl-2-[5-[1-(1-methylpyrazole-4-carbonyl)azetidin-3-yl]oxy-3-pyridyl]isoindolin-1-one | | Descriptor: | 5-chloranyl-3,3-dimethyl-2-[5-[1-(1-methylpyrazol-4-yl)carbonylazetidin-3-yl]oxypyridin-3-yl]isoindol-1-one, Cytochrome P450 11B2, mitochondrial, ... | | Authors: | Kuglstatter, A, Joseph, C, Benz, J. | | Deposit date: | 2020-02-03 | | Release date: | 2020-06-24 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.77 Å) | | Cite: | Discovery of 3-Pyridyl Isoindolin-1-one Derivatives as Potent, Selective, and Orally Active Aldosterone Synthase (CYP11B2) Inhibitors.
J.Med.Chem., 63, 2020
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7POG
 | | High-resolution structure of native toxin A from Clostridioides difficile | | Descriptor: | Toxin A, ZINC ION | | Authors: | Boesen, T, Joergensen, R, Aminzadeh, A, Engelbrecht Larsen, C. | | Deposit date: | 2021-09-08 | | Release date: | 2021-12-08 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (2.83 Å) | | Cite: | High-resolution structure of native toxin A from Clostridioides difficile.
Embo Rep., 23, 2022
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1OH7
 | | THE CRYSTAL STRUCTURE OF E. COLI MUTS BINDING TO DNA WITH A G:G MISMATCH | | Descriptor: | 5'-D(*AP*GP*CP*TP*GP*CP*CP*AP*GP*GP *CP*AP*CP*CP*AP*GP*TP*GP*TP*CP*AP*GP*CP*GP*TP *CP*CP*TP*AP*T)-3', 5'-D(*AP*TP*AP*GP*GP*AP*CP*GP*CP*TP *GP*AP*CP*AP*CP*TP*GP*GP*TP*GP*CP*GP*TP*GP*GP *CP*AP*GP*CP*T)-3', ADENOSINE-5'-DIPHOSPHATE, ... | | Authors: | Natrajan, G, Lamers, M.H, Enzlin, J.H, Winterwerp, H.H.K, Perrakis, A, Sixma, T.K. | | Deposit date: | 2003-05-23 | | Release date: | 2003-08-08 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structures of E. Coli DNA Mismatch Repair Enzyme Muts in Complex with Different Mismatches: A Common Recognition Mode for Diverse Substrates
Nucleic Acids Res., 31, 2003
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5XVO
 | | E. fae Cas1-Cas2/prespacer/target ternary complex revealing DNA sampling and half-integration states | | Descriptor: | CRISPR-associated endonuclease Cas1, CRISPR-associated endoribonuclease Cas2, DNA (28-MER), ... | | Authors: | Xiao, Y, Ng, S, Nam, K.H, Ke, A. | | Deposit date: | 2017-06-28 | | Release date: | 2017-10-04 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | How type II CRISPR-Cas establish immunity through Cas1-Cas2-mediated spacer integration.
Nature, 550, 2017
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3B2T
 | | Structure of phosphotransferase | | Descriptor: | 5'-O-[(S)-hydroxy{[(S)-hydroxy(methyl)phosphoryl]oxy}phosphoryl]adenosine, Fibroblast growth factor receptor 2, PHOSPHATE ION | | Authors: | Lew, E.D, Bae, J.H, Rohmann, E, Wollnik, B, Schlessinger, J. | | Deposit date: | 2007-10-19 | | Release date: | 2008-02-26 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural basis for reduced FGFR2 activity in LADD syndrome: Implications for FGFR autoinhibition and activation.
Proc.Natl.Acad.Sci.Usa, 104, 2007
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