2RM0
 
 | | FBP28WW2 domain in complex with a PPPLIPPPP peptide | | Descriptor: | Formin-1, Transcription elongation regulator 1 | | Authors: | Ramirez-Espain, X, Ruiz, L, Martin-Malpartida, P, Oschkinat, H, Macias, M.J. | | Deposit date: | 2007-09-06 | | Release date: | 2007-11-06 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structural Characterization of a New Binding Motif and a Novel Binding Mode in Group 2 WW Domains
J.Mol.Biol., 373, 2007
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7P3S
 | | Crystal structure of Schistosoma mansoni HDAC8 complexed with a benzohydroxamate inhibitor 12 | | Descriptor: | GLYCEROL, Histone deacetylase, POTASSIUM ION, ... | | Authors: | Shaik, T.B, Romier, C. | | Deposit date: | 2021-07-08 | | Release date: | 2021-09-15 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.546 Å) | | Cite: | Synthesis, structure-activity relationships, cocrystallization and cellular characterization of novel smHDAC8 inhibitors for the treatment of schistosomiasis.
Eur.J.Med.Chem., 225, 2021
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2RLY
 | | FBP28WW2 domain in complex with PTPPPLPP peptide | | Descriptor: | Formin-1, Transcription elongation regulator 1 | | Authors: | Ramirez-Espain, X, Ruiz, L, Martin-Malpartida, P, Oschkinat, H, Macias, M.J. | | Deposit date: | 2007-09-03 | | Release date: | 2007-11-06 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structural Characterization of a New Binding Motif and a Novel Binding Mode in Group 2 WW Domains
J.Mol.Biol., 373, 2007
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7ONI
 | | Structure of Neddylated CUL5 C-terminal region-RBX2-ARIH2* | | Descriptor: | Cullin-5, E3 ubiquitin-protein ligase ARIH2, NEDD8, ... | | Authors: | Kostrhon, S.P, prabu, J.R, Schulman, B.A. | | Deposit date: | 2021-05-25 | | Release date: | 2021-09-15 | | Last modified: | 2021-10-06 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | CUL5-ARIH2 E3-E3 ubiquitin ligase structure reveals cullin-specific NEDD8 activation.
Nat.Chem.Biol., 17, 2021
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4HCA
 | | DNA binding by GATA transcription factor-complex 1 | | Descriptor: | DNA (5'-D(*AP*AP*TP*GP*TP*CP*CP*AP*TP*CP*TP*GP*AP*TP*AP*AP*GP*AP*CP*G)-3'), DNA (5'-D(*TP*TP*CP*GP*TP*CP*TP*TP*AP*TP*CP*AP*GP*AP*TP*GP*GP*AP*CP*A)-3'), Trans-acting T-cell-specific transcription factor GATA-3, ... | | Authors: | Chen, Y, Bates, D.L, Dey, R, Chen, L. | | Deposit date: | 2012-09-28 | | Release date: | 2012-12-05 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | DNA Binding by GATA Transcription Factor Suggests Mechanisms of DNA Looping and Long-Range Gene Regulation.
Cell Rep, 2, 2012
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4HCP
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4B24
 | | Unprecedented sculpting of DNA at abasic sites by DNA glycosylase homolog Mag2 | | Descriptor: | 5'-D(*CP*GP*AP*TP*AP*GP*GP*TP*AP*GP)-3', 5'-D(*GP*CP*TP*AP*CP*3DRP*TP*AP*TP*CP*GP)-3', PROBABLE DNA-3-METHYLADENINE GLYCOSYLASE 2 | | Authors: | Dalhus, B, Nilsen, L, Korvald, H, Huffman, J, Forstrom, R.J, McMurray, C.T, Alseth, I, Tainer, J.A, Bjoras, M. | | Deposit date: | 2012-07-12 | | Release date: | 2013-01-09 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Sculpting of DNA at Abasic Sites by DNA Glycosylase Homolog Mag2.
Structure, 21, 2013
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2CLZ
 | | Mhc Class I Natural Mutant H-2Kbm8 Heavy Chain Complexed With beta-2 Microglobulin and pBM1 peptide | | Descriptor: | BETA-2 MICROGLOBULIN, H-2 CLASS I HISTOCOMPATIBILITY ANTIGEN, K-B ALPHA CHAIN, ... | | Authors: | Mazza, C, Auphan-Anezin, N, Guimezanes, A, Barrett-Wilt, G.A, Montero-Julian, F, Roussel, A, Hunt, D.F, Schmitt-Verhulst, A.M, Malissen, B. | | Deposit date: | 2006-05-03 | | Release date: | 2006-06-14 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Distinct Orientation of the Alloreactive Monoclonal Cd8 T Cell Activation Program by Three Different Peptide/Mhc Complexes.
Eur.J.Immunol., 36, 2006
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4FKP
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1QIP
 | | HUMAN GLYOXALASE I COMPLEXED WITH S-P-NITROBENZYLOXYCARBONYLGLUTATHIONE | | Descriptor: | BETA-MERCAPTOETHANOL, PROTEIN (LACTOYLGLUTATHIONE LYASE), S-P-NITROBENZYLOXYCARBONYLGLUTATHIONE, ... | | Authors: | Cameron, A.D, Ridderstrom, M, Olin, B, Mannervik, B. | | Deposit date: | 1999-06-14 | | Release date: | 1999-11-24 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Reaction mechanism of glyoxalase I explored by an X-ray crystallographic analysis of the human enzyme in complex with a transition state analogue.
Biochemistry, 38, 1999
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4I3Z
 | | Structure of pCDK2/CyclinA bound to ADP and 2 Magnesium ions | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, Cyclin-A2, ... | | Authors: | Jacobsen, D.M, Bao, Z.-Q, O'Brien, P.J, Brooks, C.L, Young, M.A. | | Deposit date: | 2012-11-27 | | Release date: | 2012-12-26 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Price To Be Paid for Two-Metal Catalysis: Magnesium Ions That Accelerate Chemistry Unavoidably Limit Product Release from a Protein Kinase
J.Am.Chem.Soc., 134, 2012
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3ELO
 | | Crystal Structure of Human Pancreatic Prophospholipase A2 | | Descriptor: | Phospholipase A2, SULFATE ION | | Authors: | Xu, W, Yi, L, Feng, Y, Chen, L, Liu, J. | | Deposit date: | 2008-09-22 | | Release date: | 2009-04-14 | | Last modified: | 2014-02-05 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structural insight into the activation mechanism of human pancreatic prophospholipase A2
J.Biol.Chem., 284, 2009
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1E9J
 | | SOLUTION STRUCTURE OF THE A-SUBUNIT OF HUMAN CHORIONIC GONADOTROPIN [INCLUDING A SINGLE GLCNAC RESIDUE AT ASN52 AND ASN78] | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHORIONIC GONADOTROPIN | | Authors: | Erbel, P.J.A, Karimi-Nejad, Y, van Kuik, J.A, Boelens, R, Kamerling, J.P, Vliegenthart, J.F.G. | | Deposit date: | 2000-10-18 | | Release date: | 2002-07-25 | | Last modified: | 2020-07-29 | | Method: | SOLUTION NMR | | Cite: | Effects of the N-linked glycans on the 3D structure of the free alpha-subunit of human chorionic gonadotropin.
Biochemistry, 39, 2000
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7C6U
 | | Crystal structure of SARS-CoV-2 complexed with GC376 | | Descriptor: | (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase | | Authors: | Fu, L, Feng, Y, Qi, J, Gao, F.G. | | Deposit date: | 2020-05-22 | | Release date: | 2020-09-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Both Boceprevir and GC376 efficaciously inhibit SARS-CoV-2 by targeting its main protease.
Nat Commun, 11, 2020
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1QIN
 | | HUMAN GLYOXALASE I COMPLEXED WITH S-(N-HYDROXY-N-P-IODOPHENYLCARBAMOYL) GLUTATHIONE | | Descriptor: | PROTEIN (LACTOYLGLUTATHIONE LYASE), S-(N-HYDROXY-N-IODOPHENYLCARBAMOYL)GLUTATHIONE, ZINC ION | | Authors: | Cameron, A.D, Ridderstrom, M, Olin, B, Mannervik, B. | | Deposit date: | 1999-06-14 | | Release date: | 1999-11-24 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Reaction mechanism of glyoxalase I explored by an X-ray crystallographic analysis of the human enzyme in complex with a transition state analogue.
Biochemistry, 38, 1999
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4GCJ
 | | CDK2 in complex with inhibitor RC-3-89 | | Descriptor: | 1,2-ETHANEDIOL, 4-{[4-amino-5-(2-nitrobenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide, Cyclin-dependent kinase 2 | | Authors: | Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. | | Deposit date: | 2012-07-30 | | Release date: | 2012-10-31 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases.
J.Med.Chem., 56, 2013
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4G7L
 | | Crystal Structure of rat Heme oxygenase-1 in complex with Heme and O2 | | Descriptor: | FORMIC ACID, Heme oxygenase 1, OXYGEN MOLECULE, ... | | Authors: | Sugishima, M, Moffat, K, Noguchi, M. | | Deposit date: | 2012-07-20 | | Release date: | 2012-10-31 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Discrimination between CO and O(2) in heme oxygenase: comparison of static structures and dynamic conformation changes following CO photolysis.
Biochemistry, 51, 2012
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4G99
 | | Rat Heme Oxygenase-1 in complex with Heme and CO at 100 K after warming to 160 K | | Descriptor: | CARBON MONOXIDE, FORMIC ACID, Heme oxygenase 1, ... | | Authors: | Sugishima, M, Moffat, K, Noguchi, M. | | Deposit date: | 2012-07-23 | | Release date: | 2012-10-31 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Discrimination between CO and O(2) in heme oxygenase: comparison of static structures and dynamic conformation changes following CO photolysis.
Biochemistry, 51, 2012
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4IEA
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3D85
 | | Crystal structure of IL-23 in complex with neutralizing FAB | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, FAB of antibody 7G10, heavy chain, ... | | Authors: | Beyer, B.M, Ingram, R, Ramanathan, L, Reichert, P, Le, H, Madison, V. | | Deposit date: | 2008-05-22 | | Release date: | 2008-09-02 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structures of the pro-inflammatory cytokine interleukin-23 and its complex with a high-affinity neutralizing antibody
J.Mol.Biol., 382, 2008
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4II5
 | | Structure of PCDK2/CYCLINA bound to ADP and 1 MAGNESIUM ION | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Cyclin-A2, Cyclin-dependent kinase 2, ... | | Authors: | Jacobsen, D.M, Bao, Z.-Q, O'Brien, P.J, Brooks III, C.L, Young, M.A. | | Deposit date: | 2012-12-19 | | Release date: | 2013-01-23 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Price to be paid for two-metal catalysis: Magnesium ions that accelerate chemistry unavoidably limit product release from a PROTEIN KINASE
J.Am.Chem.Soc., 134, 2012
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4IM3
 | | Structure of Tank-Binding Kinase 1 | | Descriptor: | CHLORIDE ION, MERCURY (II) ION, N-(3-{[5-iodo-4-({3-[(thiophen-2-ylcarbonyl)amino]propyl}amino)pyrimidin-2-yl]amino}phenyl)pyrrolidine-1-carboxamide, ... | | Authors: | Tu, D, Eck, M.J. | | Deposit date: | 2013-01-01 | | Release date: | 2013-03-06 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.342 Å) | | Cite: | Structure and ubiquitination-dependent activation of TANK-binding kinase 1.
Cell Rep, 3, 2013
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4IM2
 | | Structure of Tank-Binding Kinase 1 | | Descriptor: | CHLORIDE ION, N-(3-{[5-iodo-4-({3-[(thiophen-2-ylcarbonyl)amino]propyl}amino)pyrimidin-2-yl]amino}phenyl)pyrrolidine-1-carboxamide, Serine/threonine-protein kinase TBK1 | | Authors: | Tu, D, Eck, M.J. | | Deposit date: | 2013-01-01 | | Release date: | 2013-03-06 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.5001 Å) | | Cite: | Structure and ubiquitination-dependent activation of TANK-binding kinase 1.
Cell Rep, 3, 2013
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4IQ6
 | | Gsk-3beta with inhibitor 6-chloro-N-cyclohexyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine | | Descriptor: | 6-chloro-N-cyclohexyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine, Glycogen synthase kinase-3 beta | | Authors: | Tong, Y, Stewart, K.D, Florjancic, A.S, Harlan, J.E, Merta, P.J, Przytulinska, M, Soni, N, Swinger, K.S, Zhu, H, Johnson, E.F, Shoemaker, A.R, Penning, T.D. | | Deposit date: | 2013-01-10 | | Release date: | 2013-04-24 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.12 Å) | | Cite: | Azaindole-Based Inhibitors of Cdc7 Kinase: Impact of the Pre-DFG Residue, Val 195.
ACS Med Chem Lett, 4, 2013
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4IM0
 | | Structure of Tank-Binding Kinase 1 | | Descriptor: | N-{3-[(5-cyclopropyl-2-{[3-(morpholin-4-ylmethyl)phenyl]amino}pyrimidin-4-yl)amino]propyl}cyclobutanecarboxamide, Serine/threonine-protein kinase TBK1 | | Authors: | Tu, D, Eck, M.J. | | Deposit date: | 2013-01-01 | | Release date: | 2013-03-06 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.4001 Å) | | Cite: | Structure and ubiquitination-dependent activation of TANK-binding kinase 1.
Cell Rep, 3, 2013
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