2VTJ
 
 | | Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design | | Descriptor: | 4-[(6-chloropyrazin-2-yl)amino]benzenesulfonamide, CELL DIVISION PROTEIN KINASE 2, GLYCEROL | | Authors: | Wyatt, P.G, Woodhead, A.J, Boulstridge, J.A, Berdini, V, Carr, M.G, Cross, D.M, Danillon, D, Davis, D.J, Devine, L.A, Early, T.R, Feltell, R.E, Lewis, E.J, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Reule, M, Saxty, G, Seavers, L.C.A, Smith, D, Squires, M.S, Trewartha, G, Walker, M.T, Woolford, A.J. | | Deposit date: | 2008-05-15 | | Release date: | 2008-08-05 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Identification of N-(4-Piperidinyl)-4-(2,6-Dichlorobenzoylamino)-1H-Pyrazole-3-Carboxamide (at7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
J.Med.Chem., 51, 2008
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2VTO
 | | Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design. | | Descriptor: | CELL DIVISION PROTEIN KINASE 2, N-(4-FLUOROPHENYL)-4-[(PHENYLCARBONYL)AMINO]-1H-PYRAZOLE-3-CARBOXAMIDE | | Authors: | Wyatt, P.G, Woodhead, A.J, Boulstridge, J.A, Berdini, V, Carr, M.G, Cross, D.M, Danillon, D, Davis, D.J, Devine, L.A, Early, T.R, Feltell, R.E, Lewis, E.J, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Reule, M, Saxty, G, Seavers, L.C.A, Smith, D, Squires, M.S, Trewartha, G, Walker, M.T, Woolford, A.J. | | Deposit date: | 2008-05-15 | | Release date: | 2008-08-05 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Identification of N-(4-Piperidinyl)-4-(2,6-Dichlorobenzoylamino)-1H-Pyrazole-3-Carboxamide (at7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
J.Med.Chem., 51, 2008
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2VTR
 | | Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design | | Descriptor: | 5-chloro-7-[(1-methylethyl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile, CELL DIVISION PROTEIN KINASE 2 | | Authors: | Wyatt, P.G, Woodhead, A.J, Boulstridge, J.A, Berdini, V, Carr, M.G, Cross, D.M, Danillon, D, Davis, D.J, Devine, L.A, Early, T.R, Feltell, R.E, Lewis, E.J, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Reule, M, Saxty, G, Seavers, L.C.A, Smith, D, Squires, M.S, Trewartha, G, Walker, M.T, Woolford, A.J. | | Deposit date: | 2008-05-15 | | Release date: | 2008-08-05 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Identification of N-(4-Piperidinyl)-4-(2,6-Dichlorobenzoylamino)-1H-Pyrazole-3-Carboxamide (at7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
J.Med.Chem., 51, 2008
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1XS4
 | | dCTP deaminase from Escherichia coli- E138A mutant enzyme in complex with dCTP | | Descriptor: | 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, Deoxycytidine triphosphate deaminase, MAGNESIUM ION | | Authors: | Johansson, E, Fano, M, Bynck, J.H, Neuhard, J, Larsen, S, Sigurskjold, B.W, Christensen, U, Willemoes, M. | | Deposit date: | 2004-10-18 | | Release date: | 2004-12-21 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.53 Å) | | Cite: | Structures of dCTP deaminase from Escherichia coli with bound substrate and product: reaction mechanism and determinants of mono- and bifunctionality for a family of enzymes
J.Biol.Chem., 280, 2005
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6NJ9
 | | Active state Dot1L bound to the H2B-Ubiquitinated nucleosome, 2-to-1 complex | | Descriptor: | 601 DNA Strand 1, 601 DNA Strand 2, Histone H2A type 1, ... | | Authors: | Worden, E.J, Hoffmann, N.A, Wolberger, C. | | Deposit date: | 2019-01-02 | | Release date: | 2019-02-20 | | Last modified: | 2021-06-16 | | Method: | ELECTRON MICROSCOPY (2.96 Å) | | Cite: | Mechanism of Cross-talk between H2B Ubiquitination and H3 Methylation by Dot1L.
Cell, 176, 2019
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1L5J
 | | CRYSTAL STRUCTURE OF E. COLI ACONITASE B. | | Descriptor: | ACONITATE ION, Aconitate hydratase 2, FE3-S4 CLUSTER | | Authors: | Williams, C.H, Stillman, T.J, Barynin, V.V, Sedelnikova, S.E, Tang, Y, Green, J, Guest, J.R, Artymiuk, P.J. | | Deposit date: | 2002-03-07 | | Release date: | 2002-06-12 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | E. coli aconitase B structure reveals a HEAT-like domain with implications for protein-protein recognition.
Nat.Struct.Biol., 9, 2002
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2VTN
 | | Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design. | | Descriptor: | 4-(acetylamino)-N-(4-fluorophenyl)-1H-pyrazole-3-carboxamide, CELL DIVISION PROTEIN KINASE 2 | | Authors: | Wyatt, P.G, Woodhead, A.J, Boulstridge, J.A, Berdini, V, Carr, M.G, Cross, D.M, Danillon, D, Davis, D.J, Devine, L.A, Early, T.R, Feltell, R.E, Lewis, E.J, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Reule, M, Saxty, G, Seavers, L.C.A, Smith, D, Squires, M.S, Trewartha, G, Walker, M.T, Woolford, A.J. | | Deposit date: | 2008-05-15 | | Release date: | 2008-08-05 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Identification of N-(4-Piperidinyl)-4-(2,6-Dichlorobenzoylamino)-1H-Pyrazole-3-Carboxamide (at7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
J.Med.Chem., 51, 2008
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2VTQ
 | | Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design. | | Descriptor: | CELL DIVISION PROTEIN KINASE 2, {[(2,6-difluorophenyl)carbonyl]amino}-N-piperidin-4-yl-1H-pyrazole-3-carboxamide | | Authors: | Wyatt, P.G, Woodhead, A.J, Boulstridge, J.A, Berdini, V, Carr, M.G, Cross, D.M, Danillon, D, Davis, D.J, Devine, L.A, Early, T.R, Feltell, R.E, Lewis, E.J, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Reule, M, Saxty, G, Seavers, L.C.A, Smith, D, Squires, M.S, Trewartha, G, Walker, M.T, Woolford, A.J. | | Deposit date: | 2008-05-15 | | Release date: | 2008-08-05 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Identification of N-(4-Piperidinyl)-4-(2,6-Dichlorobenzoylamino)-1H-Pyrazole-3-Carboxamide (at7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
J.Med.Chem., 51, 2008
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6NJN
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8CZZ
 | | Cryo-EM structure of T/F100 SOSIP.664 HIV-1 Env trimer with LMHS mutations in complex with Temsavir, 8ANC195, and 10-1074 | | Descriptor: | 1-[4-(benzenecarbonyl)piperazin-1-yl]-2-[4-methoxy-7-(3-methyl-1H-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Chen, Y, Pozharski, E, Tolbert, W, Pazgier, M. | | Deposit date: | 2022-05-25 | | Release date: | 2023-05-31 | | Last modified: | 2023-11-08 | | Method: | ELECTRON MICROSCOPY (3.14 Å) | | Cite: | Structure-function analyses reveal key molecular determinants of HIV-1 CRF01_AE resistance to the entry inhibitor temsavir.
Nat Commun, 14, 2023
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1LA1
 | | Gro-EL Fragment (Apical Domain) Comprising Residues 188-379 | | Descriptor: | GroEL | | Authors: | Ashcroft, A.E, Brinker, A, Coyle, J.E, Weber, F, Kaiser, M, Moroder, L, Parsons, M.R, Jager, J, Hartl, U.F, Hayer-Hartl, M, Radford, S.E. | | Deposit date: | 2002-03-27 | | Release date: | 2002-04-03 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Structural plasticity and noncovalent substrate binding in the GroEL apical domain. A study using electrospay ionization mass spectrometry and fluorescence binding studies.
J.Biol.Chem., 277, 2002
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6NN6
 | | Structure of Dot1L-H2BK120ub nucleosome complex | | Descriptor: | DNA (145-MER), Histone H2A type 1, Histone H2B 1.1, ... | | Authors: | Anderson, C.J, Baird, M.R, Hsu, A, Barbour, E.H, Koyama, Y, Borgnia, M.J, McGinty, R.K. | | Deposit date: | 2019-01-14 | | Release date: | 2019-02-13 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Structural Basis for Recognition of Ubiquitylated Nucleosome by Dot1L Methyltransferase.
Cell Rep, 26, 2019
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1C7C
 | | DEOXY RHB1.1 (RECOMBINANT HEMOGLOBIN) | | Descriptor: | PROTEIN (DEOXYHEMOGLOBIN (ALPHA CHAIN)), PROTEIN (DEOXYHEMOGLOBIN (BETA CHAIN)), PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Brucker, E.A. | | Deposit date: | 2000-02-09 | | Release date: | 2000-06-30 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Genetically crosslinked hemoglobin: a structural study.
Acta Crystallogr.,Sect.D, 56, 2000
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2VXH
 | | The crystal structure of chlorite dismutase: a detox enzyme producing molecular oxygen | | Descriptor: | CARBONATE ION, CHLORITE DISMUTASE, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | De Geus, D.C, Thomassen, E.A.J, Hagedoorn, P.L, Pannu, N.S, Abrahams, J.P. | | Deposit date: | 2008-07-04 | | Release date: | 2009-03-03 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal Structure of Chlorite Dismutase, a Detoxifying Enzyme Producing Molecular Oxygen
J.Mol.Biol., 387, 2009
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6ZLO
 | | E2 core of the fungal Pyruvate dehydrogenase complex with asymmetric interior PX30 component | | Descriptor: | Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex, mitochondrial | | Authors: | Forsberg, B.O, Howard, R.J, Aibara, S, Mortesaei, N, Lindahl, E. | | Deposit date: | 2020-06-30 | | Release date: | 2020-09-23 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Arrangement and symmetry of the fungal E3BP-containing core of the pyruvate dehydrogenase complex.
Nat Commun, 11, 2020
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3ZIX
 | | Clostridium perfringens Enterotoxin with the N-terminal 37 residues deleted | | Descriptor: | HEAT-LABILE ENTEROTOXIN B CHAIN, HEXAETHYLENE GLYCOL | | Authors: | Yelland, T, Naylor, C.E, Savva, C.G, Basak, A.K. | | Deposit date: | 2013-01-14 | | Release date: | 2014-01-29 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure of a C. Perfringens Enterotoxin Mutant in Complex with a Modified Claudin-2 Extracellular Loop 2
J.Mol.Biol., 426, 2014
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1C7B
 | | DEOXY RHB1.0 (RECOMBINANT HEMOGLOBIN) | | Descriptor: | PROTEIN (DEOXYHEMOGLOBIN (ALPHA CHAIN)), PROTEIN (DEOXYHEMOGLOBIN (BETA CHAIN)), PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Brucker, E.A. | | Deposit date: | 2000-02-09 | | Release date: | 2000-06-30 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.803 Å) | | Cite: | Genetically crosslinked hemoglobin: a structural study.
Acta Crystallogr.,Sect.D, 56, 2000
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6O1K
 | | Architectural principles for Hfq/Crc-mediated regulation of gene expression. Hfq-Crc-amiE 2:2:2 complex (core complex) | | Descriptor: | Catabolite repression control protein, RNA (5'-R(*AP*AP*AP*AP*AP*UP*AP*AP*CP*AP*AP*CP*AP*AP*GP*AP*GP*G)-3'), RNA-binding protein Hfq | | Authors: | Pei, X.Y, Dendooven, T, Sonnleitner, E, Chen, S, Blasi, U, Luisi, B.F. | | Deposit date: | 2019-02-20 | | Release date: | 2019-03-13 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.13 Å) | | Cite: | Architectural principles for Hfq/Crc-mediated regulation of gene expression
Elife, 8, 2019
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1BPO
 | | CLATHRIN HEAVY-CHAIN TERMINAL DOMAIN AND LINKER | | Descriptor: | PROTEIN (CLATHRIN) | | Authors: | Harr, E.T, Musacchio, A, Harrison, S.C, Kirchhausen, T. | | Deposit date: | 1998-08-11 | | Release date: | 1998-12-16 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Atomic structure of clathrin: a beta propeller terminal domain joins an alpha zigzag linker.
Cell(Cambridge,Mass.), 95, 1998
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2K9Y
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6NFU
 | | Structure of the KcsA-G77A mutant or the 2,4-ion bound configuration of a K+ channel selectivity filter. | | Descriptor: | (1S)-2-HYDROXY-1-[(NONANOYLOXY)METHYL]ETHYL MYRISTATE, NONAN-1-OL, POTASSIUM ION, ... | | Authors: | Tilegenova, C, Cortes, D.M, Jahovic, N, Hardy, E, Parameswaran, H, Guan, L, Cuello, L.G. | | Deposit date: | 2018-12-20 | | Release date: | 2019-08-07 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Structure, function, and ion-binding properties of a K+channel stabilized in the 2,4-ion-bound configuration.
Proc.Natl.Acad.Sci.USA, 116, 2019
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8AT2
 | | Structure of the augmin TIII subcomplex | | Descriptor: | HAUS augmin like complex subunit 4 L homeolog, HAUS augmin-like complex subunit 1, HAUS augmin-like complex subunit 3, ... | | Authors: | Zupa, E, Pfeffer, S. | | Deposit date: | 2022-08-22 | | Release date: | 2022-09-28 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (7.7 Å) | | Cite: | The augmin complex architecture reveals structural insights into microtubule branching.
Nat Commun, 13, 2022
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5TFU
 | | Structure of cytochrome P450 2D6 (CYP2D6) BACE1 inhibitor complex | | Descriptor: | (4S,6R)-4-[2,4-difluoro-5-({[1-(trifluoromethyl)cyclopropyl]amino}methyl)phenyl]-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine, Cytochrome P450 2D6, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Hsu, M.H, Johnson, E.F. | | Deposit date: | 2016-09-26 | | Release date: | 2017-01-11 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Aminomethyl-Derived Beta Secretase (BACE1) Inhibitors: Engaging Gly230 without an Anilide Functionality.
J. Med. Chem., 60, 2017
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1MZC
 | | Co-Crystal Structure Of Human Farnesyltransferase With Farnesyldiphosphate and Inhibitor Compound 33a | | Descriptor: | 2-[3-(3-ETHYL-1-METHYL-2-OXO-AZEPAN-3-YL)-PHENOXY]-4-[1-AMINO-1-(1-METHYL-1H-IMIDIZOL-5-YL)-ETHYL]-BENZONITRILE, FARNESYL DIPHOSPHATE, Protein Farnesyltransferase alpha Subunit, ... | | Authors: | deSolms, S.J, Ciccarone, T.M, MacTough, S.C, Shaw, A.W, Buser, C.A, Ellis-Hutchings, M, Fernandes, C, Hamilton, K.A, Huber, H.E, Kohl, N.E, Lobell, R.B, Robinson, R.G, Tsou, N.N, Walsh, E.S, Graham, S.L, Beese, L.S, Taylor, J.S. | | Deposit date: | 2002-10-07 | | Release date: | 2003-07-08 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Dual Protein Farnesyltransferase-Geranylgeranyltransferase-I Inhibitors as Potential Cancer Chemotherapeutic Agents.
J.Med.Chem., 46, 2003
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3ZD9
 | | Potassium bound structure of E. coli ExoIX in P21 | | Descriptor: | POTASSIUM ION, PROTEIN XNI | | Authors: | Anstey-Gilbert, C.S, Hemsworth, G.R, Flemming, C.S, Hodskinson, M.R.G, Zhang, J, Sedelnikova, S.E, Stillman, T.J, Sayers, J.R, Artymiuk, P.J. | | Deposit date: | 2012-11-26 | | Release date: | 2013-07-10 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The Structure of E. Coli Exoix - Implications for DNA Binding and Catalysis in Flap Endonucleases
Nucleic Acids Res., 41, 2013
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