6N3K
 
 | | Crystal structure of an epoxide hydrolase from Trichoderma reesei in complex with inhibitor 1 | | Descriptor: | Epoxide hydrolase, N-{cis-4-[(2,6-difluorophenyl)methoxy]cyclohexyl}-N'-(3-phenylpropyl)urea | | Authors: | de Oliveira, G.S, Adriani, P.P, Ribeiro, J.A, Morisseau, C, Hammock, B.D, Dias, M.V, Chambergo, F.S. | | Deposit date: | 2018-11-15 | | Release date: | 2019-11-20 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The molecular structure of an epoxide hydrolase from Trichoderma reesei in complex with urea or amide-based inhibitors.
Int. J. Biol. Macromol., 129, 2019
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2BVJ
 | | Ligand-free structure of cytochrome P450 PikC (CYP107L1) | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, BETA-MERCAPTOETHANOL, CYTOCHROME P450 MONOOXYGENASE, ... | | Authors: | Sherman, D.H, Li, S, Yermalitskaya, L.V, Kim, Y, Smith, J.A, Waterman, M.R, Podust, L.M. | | Deposit date: | 2005-06-28 | | Release date: | 2006-07-03 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The Structural Basis for Substrate Anchoring, Active Site Selectivity, and Product Formation by P450 Pikc from Streptomyces Venezuelae.
J.Biol.Chem., 281, 2006
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2BMW
 | | Ferredoxin: NADP+ Reductase Mutant With Thr 155 Replaced By Gly, Ala 160 Replaced By Thr, Leu 263 Replaced By Pro, Arg 264 Replaced By Pro and Gly 265 Replaced by Pro (T155G-A160T-L263P-R264P-G265P) | | Descriptor: | FERREDOXIN--NADP REDUCTASE, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION | | Authors: | Martinez-Julvez, M, Hermoso, J.A, Perez-Dorado, I, Medina, M, Tejero, J, Gomez-Moreno, C. | | Deposit date: | 2005-03-16 | | Release date: | 2006-06-22 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Protein Motifs Involved in Coenzyme Interaction and Enzymatic Efficiency in Anabaena Ferredoxin-Nadp+ Reductase.
Biochemistry, 48, 2009
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3BHT
 | | Structure of phosphorylated Thr160 CDK2/cyclin A in complex with the inhibitor meriolin 3 | | Descriptor: | 4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine, Cell division protein kinase 2, Cyclin-A2, ... | | Authors: | Echalier, A, Bettayeb, K, Ferandin, Y, Lozach, O, Clement, M, Valette, A, Liger, F, Marquet, B, Morris, J.C, Endicott, J.A, Joseph, B, Meijer, L. | | Deposit date: | 2007-11-29 | | Release date: | 2008-02-12 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Meriolins, a new class of cell death inducing kinase inhibitors with enhanced selectivity for cyclin-dependent kinases
Cancer Res., 67, 2007
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2BWB
 | | Crystal structure of the UBA domain of Dsk2 from S. cerevisiae | | Descriptor: | UBIQUITIN-LIKE PROTEIN DSK2 | | Authors: | Lowe, E.D, Hasan, N, Trempe, J.-F, Fonso, L, Noble, M.E.M, Endicott, J.A, Johnson, L.N, Brown, N.R. | | Deposit date: | 2005-07-13 | | Release date: | 2006-01-25 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structures of the Dsk2 Ubl and Uba Domains and Their Complex.
Acta Crystallogr.,Sect.D, 62, 2006
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2BIB
 | | Crystal structure of the complete modular teichioic acid phosphorylcholine esterase Pce (CbpE) from Streptococcus pneumoniae | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, PHOSPHOCHOLINE, ... | | Authors: | Hermoso, J.A, Lagartera, L, Gonzalez, A, Garcia, P, Martinez-Ripoll, M, Garcia, J.L, Menendez, M. | | Deposit date: | 2005-01-20 | | Release date: | 2005-05-09 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Insights Into Pneumococcal Pathogenesis from Crystal Structure of the Modular Teichoic Acid Phosphorylcholine Esterase Pce
Nat.Struct.Mol.Biol., 12, 2005
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6O9L
 | | Human holo-PIC in the closed state | | Descriptor: | CDK-activating kinase assembly factor MAT1, Cyclin-H, Cyclin-dependent kinase 7, ... | | Authors: | Yan, C.L, Dodd, T, He, Y, Tainer, J.A, Tsutakawa, S.E, Ivanov, I. | | Deposit date: | 2019-03-14 | | Release date: | 2019-05-29 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (7.2 Å) | | Cite: | Transcription preinitiation complex structure and dynamics provide insight into genetic diseases.
Nat.Struct.Mol.Biol., 26, 2019
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6OBR
 | | PP1 Y134A in complex with Microcystin LR | | Descriptor: | CHLORIDE ION, MANGANESE (II) ION, Microcystin LR, ... | | Authors: | Choy, M.S, Moon, T.M, Bray, J.A, Archuleta, T.L, Shi, W, Peti, W, Page, R. | | Deposit date: | 2019-03-21 | | Release date: | 2019-09-18 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | SDS22 selectively recognizes and traps metal-deficient inactive PP1.
Proc.Natl.Acad.Sci.USA, 116, 2019
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2BWE
 | | The crystal structure of the complex between the UBA and UBL domains of Dsk2 | | Descriptor: | DSK2 | | Authors: | Lowe, E.D, Hasan, N, Trempe, J.-F, Fonso, L, Noble, M.E.M, Endicott, J.A, Johnson, L.N, Brown, N.R. | | Deposit date: | 2005-07-13 | | Release date: | 2006-01-25 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structures of the Dsk2 Ubl and Uba Domains and Their Complex.
Acta Crystallogr.,Sect.D, 62, 2006
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2C20
 | | CRYSTAL STRUCTURE OF UDP-GLUCOSE 4-EPIMERASE | | Descriptor: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, UDP-GLUCOSE 4-EPIMERASE, ZINC ION | | Authors: | Lebedev, A.A, Moroz, O.V, Blagova, E.V, Levdikov, V.M, Fogg, M.J, Brannigan, J.A, Wilkinson, A.J, Wilson, K.S. | | Deposit date: | 2005-09-22 | | Release date: | 2007-02-20 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal Structure of Udp-Glucose 4-Epimerase from Bacillus Anthracis at 2.7A Resolution
To be Published
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6NND
 | | Structure of Dihydrofolate reductase from Mycobacterium tuberculosis in complex with NADPH and dihydrofolate | | Descriptor: | COBALT (II) ION, DIHYDROFOLIC ACID, Dihydrofolate reductase, ... | | Authors: | Ribeiro, J.A, Chavez-Pacheco, S.M, Dias, M.V.B. | | Deposit date: | 2019-01-14 | | Release date: | 2019-07-17 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structures of the closed form of Mycobacterium tuberculosis dihydrofolate reductase in complex with dihydrofolate and antifolates.
Acta Crystallogr D Struct Biol, 75, 2019
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2BKV
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2BSA
 | | Ferredoxin-Nadp Reductase (Mutation: Y 303 S) complexed with NADP | | Descriptor: | FERREDOXIN-NADP REDUCTASE, FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Maya, C.M, Hermoso, J.A, Perez-Dorado, I, Tejero, J, Julvez, M.M, Gomez-Moreno, C, Medina, M. | | Deposit date: | 2005-05-20 | | Release date: | 2005-10-19 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | C-Terminal Tyrosine of Ferredoxin-Nadp(+) Reductase in Hydride Transfer Processes with Nad(P)(+)/H.
Biochemistry, 44, 2005
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6O9X
 | | Structure of human PARG complexed with JA2-4 | | Descriptor: | 1,3-dimethyl-8-{[2-(pyrrolidin-1-yl)ethyl]sulfanyl}-6-sulfanylidene-1,3,6,9-tetrahydro-2H-purin-2-one, Poly(ADP-ribose) glycohydrolase | | Authors: | Stegeman, R.A, Jones, D.E, Ellenberger, T, Kim, I.K, Tainer, J.A. | | Deposit date: | 2019-03-15 | | Release date: | 2019-12-25 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Selective small molecule PARG inhibitor causes replication fork stalling and cancer cell death.
Nat Commun, 10, 2019
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6OA1
 | | Structure of human PARG complexed with JA2120 | | Descriptor: | 1,3-dimethyl-8-{[2-(morpholin-4-yl)ethyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione, Poly(ADP-ribose) glycohydrolase | | Authors: | Stegeman, R.A, Jones, D.E, Ellenberger, T, Kim, I.K, Tainer, J.A. | | Deposit date: | 2019-03-15 | | Release date: | 2019-12-25 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Selective small molecule PARG inhibitor causes replication fork stalling and cancer cell death.
Nat Commun, 10, 2019
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3B9F
 | | 1.6 A structure of the PCI-thrombin-heparin complex | | Descriptor: | 2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, GLYCEROL, Plasma serine protease inhibitor, ... | | Authors: | Li, W, Adams, T.E, Huntington, J.A. | | Deposit date: | 2007-11-05 | | Release date: | 2008-04-22 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Molecular basis of thrombin recognition by protein C inhibitor revealed by the 1.6-A structure of the heparin-bridged complex.
Proc.Natl.Acad.Sci.Usa, 105, 2008
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6OBS
 | | PP1 Y134K | | Descriptor: | GLYCEROL, MANGANESE (II) ION, PHOSPHATE ION, ... | | Authors: | Choy, M.S, Moon, T.M, Bray, J.A, Archuleta, T.L, Shi, W, Peti, W, Page, R. | | Deposit date: | 2019-03-21 | | Release date: | 2019-09-18 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.803 Å) | | Cite: | SDS22 selectively recognizes and traps metal-deficient inactive PP1.
Proc.Natl.Acad.Sci.USA, 116, 2019
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3BEG
 | | Crystal structure of SR protein kinase 1 complexed to its substrate ASF/SF2 | | Descriptor: | ALANINE, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, PHOSPHOSERINE, ... | | Authors: | Ngo, J.C, Giang, K, Chakrabarti, S, Ma, C.-T, Huynh, N, Hagopian, J, Dorrestein, P.C, Fu, X.-D, Adams, J.A, Ghosh, G. | | Deposit date: | 2007-11-18 | | Release date: | 2008-04-01 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | A sliding docking interaction is essential for sequential and
processive phosphorylation of an SR protein by SRPK1
Mol.Cell, 29, 2008
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5ET4
 | | Structure of RNase A-K7H/R10H in complex with 3'-CMP | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CYTIDINE-3'-MONOPHOSPHATE, Ribonuclease pancreatic | | Authors: | Blanco, J.A, Salazar, V.A, Moussaoui, M, Boix, E. | | Deposit date: | 2015-11-17 | | Release date: | 2016-11-30 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Characterization of an RNase with two catalytic centers. Human RNase6 catalytic and phosphate-binding site arrangement favors the endonuclease cleavage of polymeric substrates.
Biochim Biophys Acta Gen Subj, 1863, 2019
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3BHU
 | | Structure of phosphorylated Thr160 CDK2/cyclin A in complex with the inhibitor meriolin 5 | | Descriptor: | 4-(4-propoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine, Cell division protein kinase 2, Cyclin-A2, ... | | Authors: | Echalier, A, Bettayeb, K, Ferandin, Y, Lozach, O, Clement, M, Valette, A, Liger, F, Marquet, B, Morris, J.C, Endicott, J.A, Joseph, B, Meijer, L. | | Deposit date: | 2007-11-29 | | Release date: | 2008-02-12 | | Last modified: | 2017-10-25 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Meriolins, a new class of cell death inducing kinase inhibitors with enhanced selectivity for cyclin-dependent kinases
Cancer Res., 67, 2007
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2CF8
 | | Complex of recombinant human thrombin with an inhibitor | | Descriptor: | 4- [(1R,3AS,4R,8AS,8BR)- 2- (4-CHLOROBENZYL)- 1- ISOPROPYL- 3- OXODECAHYDROPYRROLO[3,4- A]PYRROLIZIN- 4- YL]BENZENECARBOXIMIDAMIDE, CALCIUM ION, HIRUDIN IIIA, ... | | Authors: | Schweizer, E, Hoffmann-Roeder, A, Olsen, J.A, Obst-Sander, U, Wagner, B, Kansy, M, Banner, D.W, Diederich, F. | | Deposit date: | 2006-02-17 | | Release date: | 2006-06-14 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Multipolar Interactions in the D Pocket of Thrombin: Large Differences between Tricyclic Imide and Lactam Inhibitors.
Org.Biomol.Chem., 4, 2006
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6O4J
 | | Amyloid Beta KLVFFAENVGS 16-26 D23N Iowa mutation | | Descriptor: | Amyloid-beta precursor protein | | Authors: | Griner, S.L, Sawaya, M.R, Rodriguez, J.A, Cascio, D, Gonen, T. | | Deposit date: | 2019-02-28 | | Release date: | 2019-10-30 | | Last modified: | 2023-10-11 | | Method: | ELECTRON CRYSTALLOGRAPHY (1.402 Å) | | Cite: | Structure based inhibitors of Amyloid Beta core suggest a common interface with Tau.
Elife, 8, 2019
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2C7X
 | | Crystal structure of narbomycin-bound cytochrome P450 PikC (CYP107L1) | | Descriptor: | CYTOCHROME P450 MONOOXYGENASE, NARBOMYCIN, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Sherman, D.H, Li, S, Yermalitskaya, L.V, Kim, Y, Smith, J.A, Waterman, M.R, Podust, L.M. | | Deposit date: | 2005-11-29 | | Release date: | 2006-07-03 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | The Structural Basis for Substrate Anchoring, Active Site Selectivity, and Product Formation by P450 Pikc from Streptomyces Venezuelae.
J.Biol.Chem., 281, 2006
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2COQ
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2CJM
 | | Mechanism of CDK inhibition by active site phosphorylation: CDK2 Y15p T160p in complex with cyclin A structure | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, ... | | Authors: | Welburn, J.P.I, Tucker, J, Johnson, T, Lindert, L, Morgan, M, Willis, A, Noble, M.E.M, Endicott, J.A. | | Deposit date: | 2006-04-05 | | Release date: | 2006-04-24 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | How Tyrosine 15 Phosphorylation Inhibits the Activity of Cyclin-Dependent Kinase 2-Cyclin A.
J.Biol.Chem., 282, 2007
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