1G5S
 
 | | CRYSTAL STRUCTURE OF HUMAN CYCLIN DEPENDENT KINASE 2 (CDK2) IN COMPLEX WITH THE INHIBITOR H717 | | Descriptor: | 2-[TRANS-(4-AMINOCYCLOHEXYL)AMINO]-6-(BENZYL-AMINO)-9-CYCLOPENTYLPURINE, CELL DIVISION PROTEIN KINASE 2 | | Authors: | Dreyer, M.K, Borcherding, D.R, Dumont, J.A, Peet, N.P, Tsay, J.T, Wright, P.S, Bitonti, A.J, Shen, J, Kim, S.-H. | | Deposit date: | 2000-11-02 | | Release date: | 2001-11-02 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Crystal structure of human cyclin-dependent kinase 2 in complex with the adenine-derived inhibitor H717.
J.Med.Chem., 44, 2001
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8OFP
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6Q8T
 | | Cryo structure of HEWL at 81 kGy | | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, Lysozyme C | | Authors: | de la Mora, E, Coquelle, N, Bury, C.S, Rosenthal, M, Garman, E.F, Burghammer, M, Colletier, J.P, Weik, M. | | Deposit date: | 2018-12-16 | | Release date: | 2020-01-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.74008667 Å) | | Cite: | Radiation damage and dose limits in serial synchrotron crystallography at cryo- and room temperatures.
Proc.Natl.Acad.Sci.USA, 117, 2020
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2JDH
 | | Lectin PA-IIL of P.aeruginosa complexed with disaccharide derivative | | Descriptor: | 2H-1,2,3-TRIAZOL-4-YLMETHANOL, CALCIUM ION, FUCOSE-BINDING LECTIN PA-IIL, ... | | Authors: | Marotte, K, Sabin, C, Preville, C, Pymbock, M, Deguise, I, Wimmerova, M, Mitchell, E.P, Imberty, A, Roy, R. | | Deposit date: | 2007-01-09 | | Release date: | 2007-07-24 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | X-Ray Structures and Thermodynamics of the Interaction of Pa-Iil from Pseudomonas Aeruginosa with Disaccharide Derivatives.
Chemmedchem, 2, 2007
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3FKI
 | | 12-Subunit RNA Polymerase II Refined with Zn-SAD data | | Descriptor: | DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, DNA-directed RNA polymerase II subunit RPB2, ... | | Authors: | Meyer, P.A, Ye, P, Suh, M.H, Zhang, M, Fu, J. | | Deposit date: | 2008-12-16 | | Release date: | 2009-03-10 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (3.88 Å) | | Cite: | Structure of the 12-Subunit RNA Polymerase II Refined with the Aid of Anomalous Diffraction Data
J.Biol.Chem., 284, 2009
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1QFT
 | | HISTAMINE BINDING PROTEIN FROM FEMALE BROWN EAR RHIPICEPHALUS APPENDICULATUS | | Descriptor: | HISTAMINE, PROTEIN (FEMALE-SPECIFIC HISTAMINE BINDING PROTEIN 2) | | Authors: | Paesen, G.C, Adams, P.L, Harlos, K, Nuttal, P.A, Stuart, D.I. | | Deposit date: | 1999-04-14 | | Release date: | 2000-04-19 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Tick histamine-binding proteins: isolation, cloning, and three-dimensional structure.
Mol.Cell, 3, 1999
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7QUN
 | | CryoEM structure of mammalian AAP in complex with Meropenem | | Descriptor: | (2S,3R,4S)-4-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid, Acylamino-acid-releasing enzyme | | Authors: | Kiss-Szeman, A.J, Harmat, V, Straner, P, Jakli, I, Menyhard, K.D, Masiulis, S, Perczel, A. | | Deposit date: | 2022-01-18 | | Release date: | 2022-11-16 | | Last modified: | 2023-02-01 | | Method: | ELECTRON MICROSCOPY (2.1 Å) | | Cite: | A carbapenem antibiotic inhibiting a mammalian serine protease: structure of the acylaminoacyl peptidase-meropenem complex.
Chem Sci, 13, 2022
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7QI0
 | | Crystal structure of KLK6 in complex with compound DKFZ918 | | Descriptor: | (5~{R})-3-(6-carbamimidoylpyridin-3-yl)-~{N}-[(1~{S})-1-naphthalen-1-ylpropyl]-2-oxidanylidene-1,3-oxazolidine-5-carboxamide, Kallikrein-6 | | Authors: | Jagtap, P.K.A, Baumann, A, Lohbeck, J, Isak, D, Miller, A, Hennig, J. | | Deposit date: | 2021-12-14 | | Release date: | 2022-11-23 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Scalable synthesis and structural characterization of reversible KLK6 inhibitors.
Rsc Adv, 12, 2022
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2WX5
 | | Hexa-coordination of a bacteriochlorophyll cofactor in the Rhodobacter sphaeroides reaction centre | | Descriptor: | BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, CARDIOLIPIN, ... | | Authors: | Marsh, M, Frolov, D, Crouch, L.I, Fyfe, P.K, Robert, B, van Grondelle, R, Jones, M.R, Hadfield, A.T. | | Deposit date: | 2009-11-02 | | Release date: | 2010-02-09 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.63 Å) | | Cite: | Structural and Spectroscopic Consequences of Hexa-Coordination of a Bacteriochlorophyll Cofactor in the Rhodobacter Sphaeroides Reaction Centre
Biochemistry, 49, 2010
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7Q8O
 | | Peptide LLSGKE in complex with human cathepsin V C25S mutant | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Cathepsin L2, ... | | Authors: | Loboda, J, Sosnowski, P, Tusar, L, Vidmar, R, Vizovisek, M, Horvat, J, Kosec, G, Impens, F, Demol, H, Turk, B, Gevaert, K, Turk, D. | | Deposit date: | 2021-11-11 | | Release date: | 2022-11-23 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Proteomic data and structure analysis combined reveal interplay of structural rigidity and flexibility on selectivity of cysteine cathepsins.
Commun Biol, 6, 2023
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1GKG
 | | Structure Determination and Rational Mutagenesis reveal binding surface of immune adherence receptor, CR1 (CD35) | | Descriptor: | COMPLEMENT RECEPTOR TYPE 1 | | Authors: | Smith, B.O, Mallin, R.L, Krych-Goldberg, M, Wang, X, Hauhart, R.E, Bromek, K, Uhrin, D, Atkinson, J.P, Barlow, P.N. | | Deposit date: | 2001-08-14 | | Release date: | 2002-04-18 | | Last modified: | 2011-07-13 | | Method: | SOLUTION NMR | | Cite: | Structure of the C3B Binding Site of Cr1 (Cd35), the Immune Adherence Receptor
Cell(Cambridge,Mass.), 108, 2002
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3OYK
 | | Crystal structure of the PFV S217H mutant intasome bound to manganese | | Descriptor: | AMMONIUM ION, DNA (5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP*TP*CP*GP*CP*A)-3'), DNA (5'-D(*TP*GP*CP*GP*AP*AP*AP*TP*TP*CP*CP*AP*TP*GP*AP*CP*A)-3'), ... | | Authors: | Hare, S, Cherepanov, P. | | Deposit date: | 2010-09-23 | | Release date: | 2010-11-17 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.72 Å) | | Cite: | Molecular mechanisms of retroviral integrase inhibition and the evolution of viral resistance.
Proc.Natl.Acad.Sci.USA, 107, 2010
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1U2A
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3FP6
 | | Anionic trypsin in complex with bovine pancreatic trypsin inhibitor (BPTI) determined to the 1.49 A resolution limit | | Descriptor: | 1,2-ETHANEDIOL, Anionic trypsin-2, CALCIUM ION, ... | | Authors: | Zakharova, E, Horvath, M.P, Goldenberg, D.P. | | Deposit date: | 2009-01-04 | | Release date: | 2009-02-17 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Structure of a serine protease poised to resynthesize a peptide bond.
Proc.Natl.Acad.Sci.USA, 106, 2009
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7Q8G
 | | Peptide ALAASS in complex with human cathepsin V C25S mutant | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ALAASS Peptide, CHLORIDE ION, ... | | Authors: | Loboda, J, Sosnowski, P, Tusar, L, Vidmar, R, Vizovisek, M, Horvat, J, Kosec, G, Impens, F, Demol, H, Turk, B, Gevaert, K, Turk, D. | | Deposit date: | 2021-11-11 | | Release date: | 2022-11-23 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Proteomic data and structure analysis combined reveal interplay of structural rigidity and flexibility on selectivity of cysteine cathepsins.
Commun Biol, 6, 2023
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3AAQ
 | | Crystal structure of Lp1NTPDase from Legionella pneumophila in complex with the inhibitor ARL 67156 | | Descriptor: | 5'-O-[(R)-{[(R)-[dibromo(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-N,N-diethyladenosine, Ectonucleoside triphosphate diphosphohydrolase I | | Authors: | Vivian, J.P, Beddoe, T, Rossjohn, J. | | Deposit date: | 2009-11-24 | | Release date: | 2010-02-09 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structure of a Legionella pneumophila Ecto -Triphosphate Diphosphohydrolase, A Structural and Functional Homolog of the Eukaryotic NTPDases
Structure, 18, 2010
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1GDR
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4BOZ
 | | Structure of OTUD2 OTU domain in complex with K11-linked di ubiquitin | | Descriptor: | GLYCEROL, UBIQUITIN THIOESTERASE OTU1, UBIQUITIN-C | | Authors: | Mevissen, T.E.T, Hospenthal, M.K, Geurink, P.P, Elliott, P.R, Akutsu, M, Arnaudo, N, Ekkebus, R, Kulathu, Y, Wauer, T, El Oualid, F, Freund, S.M.V, Ovaa, H, Komander, D. | | Deposit date: | 2013-05-22 | | Release date: | 2013-07-17 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.03 Å) | | Cite: | Otu Deubiquitinases Reveal Mechanisms of Linkage Specificity and Enable Ubiquitin Chain Restriction Analysis.
Cell(Cambridge,Mass.), 154, 2013
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1P22
 | | Structure of a beta-TrCP1-Skp1-beta-catenin complex: destruction motif binding and lysine specificity on the SCFbeta-TrCP1 ubiquitin ligase | | Descriptor: | Beta-catenin, F-box/WD-repeat protein 1A, Skp1 | | Authors: | Wu, G, Xu, G, Schulman, B.A, Jeffrey, P.D, Harper, J.W, Pavletich, N.P. | | Deposit date: | 2003-04-14 | | Release date: | 2003-07-08 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Structure of a beta-TrCP1-Skp1-beta-Catenin complex: destruction motif binding and lysine specificity of the SCFbeta-TrCP1 ubiquitin ligase
Mol.Cell, 11, 2003
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3OYC
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7Q8J
 | | Peptide IILKEK in complex with human cathepsin V C25S mutant | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Cathepsin L2, EYS Peptide, ... | | Authors: | Loboda, J, Sosnowski, P, Tusar, L, Vidmar, R, Vizovisek, M, Horvat, J, Kosec, G, Impens, F, Demol, H, Turk, B, Gevaert, K, Turk, D. | | Deposit date: | 2021-11-11 | | Release date: | 2022-11-23 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Proteomic data and structure analysis combined reveal interplay of structural rigidity and flexibility on selectivity of cysteine cathepsins.
Commun Biol, 6, 2023
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3OYN
 | | Crystal structure of the PFV N224H mutant intasome bound to magnesium and the INSTI MK2048 | | Descriptor: | (6S)-2-(3-chloro-4-fluorobenzyl)-8-ethyl-10-hydroxy-N,6-dimethyl-1,9-dioxo-1,2,6,7,8,9-hexahydropyrazino[1',2':1,5]pyrrolo[2,3-d]pyridazine-4-carboxamide, AMMONIUM ION, DNA (5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP*TP*CP*GP*CP*A)-3'), ... | | Authors: | Hare, S, Cherepanov, P. | | Deposit date: | 2010-09-23 | | Release date: | 2010-11-17 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.68 Å) | | Cite: | Molecular mechanisms of retroviral integrase inhibition and the evolution of viral resistance.
Proc.Natl.Acad.Sci.USA, 107, 2010
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7QU7
 | | ATAD2 in complex with FragLite16 | | Descriptor: | 1,2-ETHANEDIOL, 4-bromanyl-1,8-naphthyridine, ATPase family AAA domain-containing protein 2, ... | | Authors: | Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M. | | Deposit date: | 2022-01-17 | | Release date: | 2022-11-23 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
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7QWO
 | | ATAD2 in complex with FragLite6 | | Descriptor: | 1,2-ETHANEDIOL, 4-bromanyl-1~{H}-pyridin-2-one, ATPase family AAA domain-containing protein 2, ... | | Authors: | Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M. | | Deposit date: | 2022-01-25 | | Release date: | 2022-11-23 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
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4L3P
 | | Crystal Structure of 2-(1-benzothiophen-7-yl)-4-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]furo[2,3-c]pyridin-7-amine bound to TAK1-TAB1 | | Descriptor: | 2-(1-benzothiophen-7-yl)-4-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]furo[2,3-c]pyridin-7-amine, Mitogen-activated protein kinase kinase kinase 7, TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 chimera | | Authors: | Wang, J, Hornberger, K.R, Crew, A.P, Steinbacher, S, Maskos, K, Moertl, M. | | Deposit date: | 2013-06-06 | | Release date: | 2013-06-19 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.68 Å) | | Cite: | Discovery and optimization of 7-aminofuro[2,3-c]pyridine inhibitors of TAK1.
Bioorg.Med.Chem.Lett., 23, 2013
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