1TGC
 
 | | ON THE DISORDERED ACTIVATION DOMAIN IN TRYPSINOGEN. CHEMICAL LABELLING AND LOW-TEMPERATURE CRYSTALLOGRAPHY | | Descriptor: | CALCIUM ION, TRYPSINOGEN | | Authors: | Walter, J, Steigemann, W, Singh, T.P, Bartunik, H, Bode, W, Huber, R. | | Deposit date: | 1981-10-26 | | Release date: | 1982-03-04 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | On the Disordered Activation Domain in Trypsinogen. Chemical Labelling and Low-Temperature Crystallography
Acta Crystallogr.,Sect.B, 38, 1982
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7LHZ
 | | K. pneumoniae Topoisomerase IV (ParE-ParC) in complex with DNA and (3S)-10-[(3R)-3-(1-aminocyclopropyl)pyrrolidin-1-yl]-9-fluoro-3-methyl-5-oxo-2,3-dihydro-5H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid (compound 25) | | Descriptor: | (3S)-10-[(3R)-3-(1-aminocyclopropyl)pyrrolidin-1-yl]-9-fluoro-3-methyl-5-oxo-2,3-dihydro-5H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid, (4S)-2-METHYL-2,4-PENTANEDIOL, DNA (5'-D(*GP*AP*TP*CP*AP*TP*AP*CP*AP*AP*CP*GP*TP*AP*A)-3'), ... | | Authors: | Noeske, J, Shu, W, Bellamacina, C. | | Deposit date: | 2021-01-26 | | Release date: | 2021-05-12 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Discovery and Optimization of DNA Gyrase and Topoisomerase IV Inhibitors with Potent Activity against Fluoroquinolone-Resistant Gram-Positive Bacteria.
J.Med.Chem., 64, 2021
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6O5M
 | | Tubulin-RB3_SLD-TTL in complex with compound 10bb | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ... | | Authors: | Kumar, G, Wang, Y, Li, W, White, S.W. | | Deposit date: | 2019-03-04 | | Release date: | 2019-07-10 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure-Guided Design, Synthesis, and Biological Evaluation of (2-(1H-Indol-3-yl)-1H-imidazol-4-yl)(3,4,5-trimethoxyphenyl) Methanone (ABI-231) Analogues Targeting the Colchicine Binding Site in Tubulin.
J.Med.Chem., 62, 2019
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5P21
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6O5N
 | | Tubulin-RB3_SLD-TTL in complex with compound 10ab | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Kumar, G, Wang, Y, Li, W, White, S.W. | | Deposit date: | 2019-03-04 | | Release date: | 2019-07-10 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (3.003 Å) | | Cite: | Structure-Guided Design, Synthesis, and Biological Evaluation of (2-(1H-Indol-3-yl)-1H-imidazol-4-yl)(3,4,5-trimethoxyphenyl) Methanone (ABI-231) Analogues Targeting the Colchicine Binding Site in Tubulin.
J.Med.Chem., 62, 2019
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6O61
 | | Tubulin-RB3_SLD-TTL in complex with compound ABI-231 | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Kumar, G, Wang, Y, Li, W, White, S.W. | | Deposit date: | 2019-03-05 | | Release date: | 2019-07-10 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.599 Å) | | Cite: | Structure-Guided Design, Synthesis, and Biological Evaluation of (2-(1H-Indol-3-yl)-1H-imidazol-4-yl)(3,4,5-trimethoxyphenyl) Methanone (ABI-231) Analogues Targeting the Colchicine Binding Site in Tubulin.
J.Med.Chem., 62, 2019
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4XXH
 | | TREHALOSE REPRESSOR FROM ESCHERICHIA COLI | | Descriptor: | 6-O-phosphono-alpha-D-glucopyranose-(1-1)-alpha-D-glucopyranose, HTH-type transcriptional regulator TreR | | Authors: | Hars, U, Horlacher, R, Boos, W, Smart, O.S, Bricogne, G, Welte, W, Diederichs, K. | | Deposit date: | 2015-01-30 | | Release date: | 2015-02-11 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | CRYSTAL STRUCTURE OF THE EFFECTOR-BINDING DOMAIN OF THE TREHALOSE-REPRESSOR OF ESCHERICHIA COLI, A MEMBER OF THE LACI FAMILY, IN ITS COMPLEXES WITH INDUCER TREHALOSE-6-PHOSPHATE AND NONINDUCER TREHALOSE.
PROTEIN SCI., 7, 1998
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7M8E
 | | E.coli RNAP-RapA elongation complex | | Descriptor: | DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ... | | Authors: | Shi, W, Liu, B. | | Deposit date: | 2021-03-29 | | Release date: | 2021-08-18 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structural basis for activation of Swi2/Snf2 ATPase RapA by RNA polymerase.
Nucleic Acids Res., 49, 2021
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3AZL
 | | Crystal Structure of Human Nucleosome Core Particle Containing H4K77Q mutation | | Descriptor: | 146-MER DNA, CHLORIDE ION, Histone H2A type 1-B/E, ... | | Authors: | Iwasaki, W, Tachiwana, H, Kawaguchi, K, Shibata, T, Kagawa, W, Kurumizaka, H. | | Deposit date: | 2011-05-25 | | Release date: | 2011-09-21 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Comprehensive Structural Analysis of Mutant Nucleosomes Containing Lysine to Glutamine (KQ) Substitutions in the H3 and H4 Histone-Fold Domains
Biochemistry, 50, 2011
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3AZN
 | | Crystal Structure of Human Nucleosome Core Particle Containing H4K91Q mutation | | Descriptor: | 146-MER DNA, CHLORIDE ION, Histone H2A type 1-B/E, ... | | Authors: | Iwasaki, W, Tachiwana, H, Kawaguchi, K, Shibata, T, Kagawa, W, Kurumizaka, H. | | Deposit date: | 2011-05-25 | | Release date: | 2011-09-21 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Comprehensive Structural Analysis of Mutant Nucleosomes Containing Lysine to Glutamine (KQ) Substitutions in the H3 and H4 Histone-Fold Domains
Biochemistry, 50, 2011
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2WZR
 | | The Structure of Foot and Mouth Disease Virus Serotype SAT1 | | Descriptor: | POLYPROTEIN | | Authors: | Adams, P, Lea, S, Newman, J, Blakemore, W, King, A, Stuart, D, Fry, E. | | Deposit date: | 2009-12-02 | | Release date: | 2010-12-08 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | The Structure of Foot-and-Mouth Disease Virus Serotype Sat1.
To be Published
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3AZF
 | | Crystal Structure of Human Nucleosome Core Particle Containing H3K79Q mutation | | Descriptor: | 146-MER DNA, CHLORIDE ION, Histone H2A type 1-B/E, ... | | Authors: | Iwasaki, W, Tachiwana, H, Kawaguchi, K, Shibata, T, Kagawa, W, Kurumizaka, H. | | Deposit date: | 2011-05-25 | | Release date: | 2011-09-21 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Comprehensive Structural Analysis of Mutant Nucleosomes Containing Lysine to Glutamine (KQ) Substitutions in the H3 and H4 Histone-Fold Domains
Biochemistry, 50, 2011
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3AZH
 | | Crystal Structure of Human Nucleosome Core Particle Containing H3K122Q mutation | | Descriptor: | 146-MER DNA, CHLORIDE ION, Histone H2A type 1-B/E, ... | | Authors: | Iwasaki, W, Tachiwana, H, Kawaguchi, K, Shibata, T, Kagawa, W, Kurumizaka, H. | | Deposit date: | 2011-05-25 | | Release date: | 2011-09-21 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3.49 Å) | | Cite: | Comprehensive Structural Analysis of Mutant Nucleosomes Containing Lysine to Glutamine (KQ) Substitutions in the H3 and H4 Histone-Fold Domains
Biochemistry, 50, 2011
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1WOF
 | | Crystal Structure Of SARS-CoV Mpro in Complex with an Inhibitor N1 | | Descriptor: | 3C-like proteinase, N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]-L-ALANYL-L-VALYL-N~1~-((1S)-4-ETHOXY-4-OXO-1-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE | | Authors: | Yang, H, Bartlam, M, Xue, X, Yang, K, Liang, W, Rao, Z. | | Deposit date: | 2004-08-18 | | Release date: | 2005-08-30 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Design of Wide-Spectrum Inhibitors Targeting Coronavirus Main Proteases.
Plos Biol., 3, 2005
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5O2F
 | | Crystal structure of NDM-1 in complex with hydrolyzed ampicillin - new refinement | | Descriptor: | (2R,4S)-2-[(R)-{[(2R)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | Authors: | Raczynska, J.E, Shabalin, I.G, Jaskolski, M, Minor, W, Wlodawer, A. | | Deposit date: | 2017-05-20 | | Release date: | 2018-12-26 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | A close look onto structural models and primary ligands of metallo-beta-lactamases.
Drug Resist. Updat., 40, 2018
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2JCG
 | | Apo form of the catabolite control protein A (ccpA) from bacillus megaterium, with the DNA binding domain | | Descriptor: | CALCIUM ION, GLUCOSE-RESISTANCE AMYLASE REGULATOR | | Authors: | Singh, R.K, Panjikar, S, Palm, G.J, Hinrichs, W. | | Deposit date: | 2006-12-22 | | Release date: | 2007-03-06 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure of the Apo Form of the Catabolite Control Protein a (Ccpa) from Bacillus Megaterium with a DNA-Binding Domain.
Acta Crystallogr.,Sect.F, 63, 2007
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7RML
 | | Neisseria meningitidis Methylenetetrahydrofolate reductase in complex with FAD | | Descriptor: | 5,10-methylenetetrahydrofolate reductase, FLAVIN-ADENINE DINUCLEOTIDE | | Authors: | Pederick, J.L, Wegener, K.L, Salaemae, W, Bruning, J.B. | | Deposit date: | 2021-07-27 | | Release date: | 2022-11-02 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Biochemical and structural characterization of meningococcal methylenetetrahydrofolate reductase.
Protein Sci., 32, 2023
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2W3U
 | | formate complex of the Ni-Form of E.coli deformylase | | Descriptor: | FORMIC ACID, NICKEL (II) ION, PEPTIDE DEFORMYLASE | | Authors: | Ngo, Y.H.T, Palm, G.J, Hinrichs, W. | | Deposit date: | 2008-11-14 | | Release date: | 2009-12-15 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Structure of the Ni(II) Complex of Escherichia Coli Peptide Deformylase and Suggestions on Deformylase Activities Depending on Different Metal(II) Centres.
J.Biol.Inorg.Chem., 15, 2010
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6PC4
 | | Tubulin-RB3_SLD-TTL in complex with compound ABI-274 | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Kumar, G, Wang, Y, Li, W, White, S.W. | | Deposit date: | 2019-06-15 | | Release date: | 2020-04-22 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.602 Å) | | Cite: | Structure-Activity Relationship Study of Novel 6-Aryl-2-benzoyl-pyridines as Tubulin Polymerization Inhibitors with Potent Antiproliferative Properties.
J.Med.Chem., 63, 2020
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1WQ1
 | | RAS-RASGAP COMPLEX | | Descriptor: | ALUMINUM FLUORIDE, GUANOSINE-5'-DIPHOSPHATE, H-RAS, ... | | Authors: | Scheffzek, K, Ahmadian, M.R, Kabsch, W, Wiesmueller, L, Lautwein, A, Schmitz, F, Wittinghofer, A. | | Deposit date: | 1997-07-03 | | Release date: | 1998-07-15 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The Ras-RasGAP complex: structural basis for GTPase activation and its loss in oncogenic Ras mutants.
Science, 277, 1997
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3AZJ
 | | Crystal Structure of Human Nucleosome Core Particle Containing H4K44Q mutation | | Descriptor: | 146-MER DNA, CHLORIDE ION, Histone H2A type 1-B/E, ... | | Authors: | Iwasaki, W, Tachiwana, H, Kawaguchi, K, Shibata, T, Kagawa, W, Kurumizaka, H. | | Deposit date: | 2011-05-25 | | Release date: | 2011-09-21 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.89 Å) | | Cite: | Comprehensive Structural Analysis of Mutant Nucleosomes Containing Lysine to Glutamine (KQ) Substitutions in the H3 and H4 Histone-Fold Domains
Biochemistry, 50, 2011
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7PXZ
 | | Reduced form of SARS-CoV-2 Main Protease determined by XFEL radiation | | Descriptor: | 3C-like proteinase nsp5, CHLORIDE ION | | Authors: | Schubert, R, Reinke, P, Galchenkova, M, Oberthuer, D, Murillo, G.E.P, Kim, C, Bean, R, Turk, D, Hinrichs, W, Middendorf, P, Round, A, Schmidt, C, Mills, G, Kirkwood, H, Han, H, Koliyadu, J, Bielecki, J, Gelisio, L, Sikorski, M, Kloos, M, Vakilii, M, Yefanov, O.N, Vagovic, P, de-Wijn, R, Letrun, R, Guenther, S, White, T.A, Sato, T, Srinivasan, V, Kim, Y, Chretien, A, Han, S, Brognaro, H, Maracke, J, Knoska, J, Seychell, B.C, Brings, L, Norton-Baker, B, Geng, T, Dore, A.S, Uetrecht, C, Redecke, L, Beck, T, Lorenzen, K, Betzel, C, Mancuso, A.P, Bajt, S, Chapman, H.N, Meents, A, Lane, T.J. | | Deposit date: | 2021-10-08 | | Release date: | 2023-01-18 | | Last modified: | 2024-07-31 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | SARS-CoV-2 M pro responds to oxidation by forming disulfide and NOS/SONOS bonds.
Nat Commun, 15, 2024
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7PZQ
 | | Oxidized form of SARS-CoV-2 Main Protease determined by XFEL radiation | | Descriptor: | 3C-like proteinase nsp5, DIMETHYL SULFOXIDE | | Authors: | Schubert, R, Reinke, P, Galchenkova, M, Oberthuer, D, Murillo, G.E.P, Kim, C, Bean, R, Turk, D, Hinrichs, W, Middendorf, P, Round, A, Schmidt, C, Mills, G, Kirkwood, H, Han, H, Koliyadu, J, Bielecki, J, Gelisio, L, Sikorski, M, Kloos, M, Vakilii, M, Yefanov, O.N, Vagovic, P, de-Wijn, R, Letrun, R, Guenther, S, White, T.A, Sato, T, Srinivasan, V, Kim, Y, Chretien, A, Han, S, Brognaro, H, Maracke, J, Knoska, J, Seychell, B.C, Brings, L, Norton-Baker, B, Geng, T, Dore, A.S, Uetrecht, C, Redecke, L, Beck, T, Lorenzen, K, Betzel, C, Mancuso, A.P, Bajt, S, Chapman, H.N, Meents, A, Lane, T.J. | | Deposit date: | 2021-10-13 | | Release date: | 2023-01-25 | | Last modified: | 2024-07-31 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | SARS-CoV-2 M pro responds to oxidation by forming disulfide and NOS/SONOS bonds.
Nat Commun, 15, 2024
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3AZK
 | | Crystal Structure of Human Nucleosome Core Particle Containing H4K59Q mutation | | Descriptor: | 146-MER DNA, CHLORIDE ION, Histone H2A type 1-B/E, ... | | Authors: | Iwasaki, W, Tachiwana, H, Kawaguchi, K, Shibata, T, Kagawa, W, Kurumizaka, H. | | Deposit date: | 2011-05-25 | | Release date: | 2011-09-21 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Comprehensive Structural Analysis of Mutant Nucleosomes Containing Lysine to Glutamine (KQ) Substitutions in the H3 and H4 Histone-Fold Domains
Biochemistry, 50, 2011
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4MZ7
 | | Structural insight into dGTP-dependent activation of tetrameric SAMHD1 deoxynucleoside triphosphate triphosphohydrolase | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ... | | Authors: | Zhu, C, Gao, W, Zhao, K, Qin, X, Zhang, Y, Peng, X, Zhang, L, Dong, Y, Zhang, W, Li, P, Wei, W, Gong, Y, Yu, X.F. | | Deposit date: | 2013-09-29 | | Release date: | 2013-11-20 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural insight into dGTP-dependent activation of tetrameric SAMHD1 deoxynucleoside triphosphate triphosphohydrolase
Nat Commun, 4, 2013
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