5MRB
 
 | | Crystal structure of human Mps1 (TTK) in complex with Cpd-5 | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Dual specificity protein kinase TTK, ... | | Authors: | Hiruma, Y, Joosten, R.P, Perrakis, A. | | Deposit date: | 2016-12-22 | | Release date: | 2017-07-26 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Understanding inhibitor resistance in Mps1 kinase through novel biophysical assays and structures.
J. Biol. Chem., 292, 2017
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7ZZY
 | | Solution BcsD structure | | Descriptor: | Cellulose biosynthesis protein | | Authors: | Krasteva, P.V, Abidi, W, Decossas, M. | | Deposit date: | 2022-05-26 | | Release date: | 2022-12-28 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Bacterial crystalline cellulose secretion via a supramolecular BcsHD scaffold.
Sci Adv, 8, 2022
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3BBX
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1C35
 | | SOLUTION STRUCTURE OF A QUADRUPLEX FORMING DNA AND ITS INTERMIDIATE | | Descriptor: | DNA (5'-D(*GP*GP*TP*TP*GP*GP*TP*GP*TP*GP*GP*TP*TP*GP*G)-3'), POTASSIUM ION | | Authors: | Bolton, P.H, Marathias, V.M, Wang, K. | | Deposit date: | 1999-07-25 | | Release date: | 1999-08-18 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Structures of the potassium-saturated, 2:1, and intermediate, 1:1, forms of a quadruplex DNA.
Nucleic Acids Res., 28, 2000
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6VAO
 | | Human cofilin-1 decorated actin filament | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | | Authors: | Huehn, A.R, Bibeau, J.P, Schramm, A.C, Cao, W, De La Cruz, E.M, Sindelar, C.V. | | Deposit date: | 2019-12-17 | | Release date: | 2020-01-08 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structures of cofilin-induced structural changes reveal local and asymmetric perturbations of actin filaments.
Proc.Natl.Acad.Sci.USA, 117, 2020
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4XJU
 | | Crystal structure of the NanB sialidase from streptococcus pneumoniae in complex with 4-acetamido-2-fluoro-3-hydroxy-6-[1,2-dihydroxyethyl]-7,8-dioxabicyclo[3.2.1]octane-1-carboxylic acid | | Descriptor: | (1R,2R,3R,4R,5R,7R)-2-(acetylamino)-7-[(1R)-1,2-dihydroxyethyl]-4-fluoro-3-hydroxy-6,8-dioxabicyclo[3.2.1]octane-5-carboxylic acid, DIMETHYL SULFOXIDE, PHOSPHATE ION, ... | | Authors: | Brear, P. | | Deposit date: | 2015-01-09 | | Release date: | 2016-01-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | `The Hunt for Serendipitous Allosteric Sites: Discovery of a novel allosteric inhibitor of the bacterial sialidase NanB
To be published
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5JEM
 | | Complex of IRF-3 with CBP | | Descriptor: | CREB-binding protein, Interferon regulatory factor 3 | | Authors: | Zhao, B, Li, P. | | Deposit date: | 2016-04-18 | | Release date: | 2016-06-15 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural basis for concerted recruitment and activation of IRF-3 by innate immune adaptor proteins.
Proc.Natl.Acad.Sci.USA, 113, 2016
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7BJD
 | | Crystal structure of CHK1-10pt-mutant complex with compound 3 | | Descriptor: | 2-methyl-2-(3-methyl-4-{[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}-1H-pyrazol-1-yl)propanenitrile, CHLORIDE ION, Serine/threonine-protein kinase Chk1 | | Authors: | Dokurno, P, Surgenor, A.E, Williamson, D.S. | | Deposit date: | 2021-01-14 | | Release date: | 2021-07-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Design and Synthesis of Pyrrolo[2,3- d ]pyrimidine-Derived Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Checkpoint Kinase 1 (CHK1)-Derived Crystallographic Surrogate.
J.Med.Chem., 64, 2021
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7BJH
 | | Crystal structure of CHK1-10pt-mutant complex with compound 8 | | Descriptor: | CHLORIDE ION, N,N-dimethyl-7H-purin-6-amine, Serine/threonine-protein kinase Chk1 | | Authors: | Dokurno, P, Surgenor, A.E, Williamson, D.S. | | Deposit date: | 2021-01-14 | | Release date: | 2021-07-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Design and Synthesis of Pyrrolo[2,3- d ]pyrimidine-Derived Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Checkpoint Kinase 1 (CHK1)-Derived Crystallographic Surrogate.
J.Med.Chem., 64, 2021
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7ZR1
 | | Chaetomium thermophilum Mre11-Rad50-Nbs1 complex bound to ATPyS (composite structure) | | Descriptor: | DH domain-containing protein, Double-strand break repair protein, FHA domain-containing protein, ... | | Authors: | Bartho, J.D, Rotheneder, M, Stakyte, K, Lammens, K, Hopfner, K.P. | | Deposit date: | 2022-05-03 | | Release date: | 2023-01-11 | | Last modified: | 2023-12-13 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Cryo-EM structure of the Mre11-Rad50-Nbs1 complex reveals the molecular mechanism of scaffolding functions.
Mol.Cell, 83, 2023
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5FF6
 | | Cetuximab Fab in complex with L10Q meditope variant | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Cetuximab Fab heavy chain, Cetuximab Fab light chain, ... | | Authors: | Bzymek, K.P, Williams, J.C. | | Deposit date: | 2015-12-17 | | Release date: | 2016-10-26 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Natural and non-natural amino-acid side-chain substitutions: affinity and diffraction studies of meditope-Fab complexes.
Acta Crystallogr F Struct Biol Commun, 72, 2016
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6B9P
 | | Structure of GH 38 Jack Bean alpha-mannosidase in complex with a 36-valent iminosugar cluster inhibitor | | Descriptor: | (2R,3R,4R,5S)-2-(hydroxymethyl)-1-{9-[4-(methoxymethyl)-1H-1,2,3-triazol-1-yl]nonyl}piperidine-3,4,5-triol, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-mannosidase from Canavalia ensiformis (jack bean), ... | | Authors: | Howard, E, Cousido-Siah, A, Lepage, M, Bodlenner, A, Mitschler, A, Meli, A, De Riccardis, F, Izzo, I, Podjarny, A, Compain, P. | | Deposit date: | 2017-10-11 | | Release date: | 2018-09-26 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.996 Å) | | Cite: | Structural Basis of Outstanding Multivalent Effects in Jack Bean alpha-Mannosidase Inhibition.
Angew. Chem. Int. Ed. Engl., 57, 2018
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7ZLG
 | | Cryo-EM structure of C-mannosyltransferase CeDPY19, in complex with acceptor peptide and bound to CMT2-Fab and anti-Fab nanobody | | Descriptor: | Anti-Fab nanobody, C-mannosyltransferase dpy-19, CMT2-Fab heavy chain, ... | | Authors: | Bloch, J.S, Mukherjee, S, Mao, R, Irobalieva, R, Kossiakoff, A.A, Goddard-Borger, E.D, Locher, K.P. | | Deposit date: | 2022-04-15 | | Release date: | 2023-01-11 | | Last modified: | 2023-05-10 | | Method: | ELECTRON MICROSCOPY (2.72 Å) | | Cite: | Structure, sequon recognition and mechanism of tryptophan C-mannosyltransferase.
Nat.Chem.Biol., 19, 2023
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5JGY
 | | Crystal structure of maize AKR4C13 in P21 space group | | Descriptor: | 1,2-ETHANEDIOL, 4-{[(2R,3R,4S,5R)-5-({[(R)-{[(R)-{[(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxy-4-(phosphonooxy)tetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxytetrahydrofuran-2-yl]oxy}butanoic acid (non-preferred name), Aldose reductase, ... | | Authors: | Santos, M.L, Giuseppe, P.O, Kiyota, E, Sousa, S.M, Schmelz, E.A, Yunes, J.A, Koch, K.E, Murakami, M.T, Aparicio, R. | | Deposit date: | 2016-04-20 | | Release date: | 2017-05-03 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Crystal structure of maize AKR4C13 in P21 space group
To Be Published
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3IRN
 | | Trypanosoma cruzi Dihydrofolate Reductase-Thymidylate Synthase COMPLEXED WITH NADPH AND Cycloguanil | | Descriptor: | 1-(4-chlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine, Bifunctional dihydrofolate reductase-thymidylate synthase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Chitnumsub, P, Yuvaniyama, J, Yuthavong, Y. | | Deposit date: | 2009-08-24 | | Release date: | 2010-07-28 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural basis of antifolate inhibition of Trypanosoma cruzi Dihydrofolate Reductase-Thymidylate Synthase
To be Published
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2VR6
 | | Crystal Structure of G85R ALS mutant of Human Cu,Zn Superoxide Dismutase (CuZnSOD) at 1.3 A resolution | | Descriptor: | COPPER (II) ION, SULFATE ION, SUPEROXIDE DISMUTASE [CU-ZN], ... | | Authors: | Antonyuk, S, Cao, X, Seetharaman, S.V, Whitson, L.J, Taylor, A.B, Holloway, S.P, Strange, R.W, Doucette, P.A, Tiwari, A, Hayward, L.J, Padua, S, Cohlberg, J.A, Selverstone Valentine, J, Hasnain, S.S, Hart, P.J. | | Deposit date: | 2008-03-28 | | Release date: | 2008-04-15 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Structures of the G85R Variant of Sod1 in Familial Amyotrophic Lateral Sclerosis.
J.Biol.Chem., 283, 2008
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3WC9
 | | The complex structure of HsSQS wtih ligand, FSPP | | Descriptor: | S-[(2E,6E)-3,7,11-TRIMETHYLDODECA-2,6,10-TRIENYL] TRIHYDROGEN THIODIPHOSPHATE, Squalene synthase | | Authors: | Shang, N, Li, Q, Ko, T.P, Chan, H.C, Huang, C.H, Ren, F, Zheng, Y, Zhu, Z, Chen, C.C, Guo, R.T. | | Deposit date: | 2013-05-26 | | Release date: | 2014-06-18 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.82 Å) | | Cite: | Squalene synthase as a target for Chagas disease therapeutics.
Plos Pathog., 10, 2014
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7ZTC
 | | Non-muscle F-actin decorated with non-muscle tropomyosin 1.6 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Non-muscle tropomyosin 1.6, actin, ... | | Authors: | Selvaraj, M, Kokate, S, Kogan, K, Kotila, T, Kremneva, E, Lappalainen, P, Huiskonen, J.T. | | Deposit date: | 2022-05-09 | | Release date: | 2023-01-11 | | Last modified: | 2023-02-15 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Structural basis underlying specific biochemical activities of non-muscle tropomyosin isoforms.
Cell Rep, 42, 2023
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4XRD
 | | Salmonella typhimurium AhpC W169F mutant | | Descriptor: | Alkyl hydroperoxide reductase subunit C, CHLORIDE ION, POTASSIUM ION, ... | | Authors: | Perkins, A, Nelson, K, Parsonage, D, Poole, L, Karplus, P.A. | | Deposit date: | 2015-01-21 | | Release date: | 2016-01-27 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Experimentally Dissecting the Origins of Peroxiredoxin Catalysis.
Antioxid.Redox Signal., 28, 2018
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1HRD
 | | GLUTAMATE DEHYDROGENASE | | Descriptor: | GLUTAMATE DEHYDROGENASE | | Authors: | Britton, K.L, Baker, P.J, Stillman, T.J, Rice, D.W. | | Deposit date: | 1996-04-03 | | Release date: | 1997-03-12 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | The structure of Pyrococcus furiosus glutamate dehydrogenase reveals a key role for ion-pair networks in maintaining enzyme stability at extreme temperatures.
Structure, 3, 1995
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2JLZ
 | | Dengue virus 4 NS3 helicase in complex with ssRNA and ADP | | Descriptor: | 5'-R(*AP*GP*AP*CP*UP*AP*AP*CP*AP*AP*CP*U)-3', ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ... | | Authors: | Luo, D.H, Xu, T, Watson, R.P, Becker, D.S, Sampath, A, Jahnke, W, Yeong, S.S, Wang, C.H, Lim, S.P, Vasudevan, S.G, Lescar, J. | | Deposit date: | 2008-09-15 | | Release date: | 2008-11-25 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Insights Into RNA Unwinding and ATP Hydrolysis by the Flavivirus Ns3 Protein.
Embo J., 27, 2008
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6VCF
 | | Crystal structure of Nitrosotalea devanaterra carotenoid cleavage dioxygenase, iron form | | Descriptor: | BICARBONATE ION, CHLORIDE ION, FE (II) ION, ... | | Authors: | Daruwalla, A, Shi, W, Kiser, P.D. | | Deposit date: | 2019-12-20 | | Release date: | 2020-07-08 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.687 Å) | | Cite: | Structural basis for carotenoid cleavage by an archaeal carotenoid dioxygenase.
Proc.Natl.Acad.Sci.USA, 117, 2020
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5J8U
 | | Crystal Structure of Hsp90-alpha N-domain L107A mutant in complex with 5-(2,4-Dihydroxy-phenyl)-4-(2-fluoro-phenyl)-2,4-dihydro-[1,2,4]triazol-3-one | | Descriptor: | 5-(5-Bromo-2,4-dihydroxy-phenyl)-4-(2-fluoro-phenyl)-2,4-dihydro-[1,2,4]triazol-3-one, Heat shock protein HSP 90-alpha | | Authors: | Amaral, M, Matias, P. | | Deposit date: | 2016-04-08 | | Release date: | 2017-12-06 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Protein conformational flexibility modulates kinetics and thermodynamics of drug binding.
Nat Commun, 8, 2017
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5M7Y
 | | Crystal structure of GH125 1,6-alpha-mannosidase mutant from Clostridium perfringens in complex with 1,6-alpha-mannotriose | | Descriptor: | 1,6-alpha-mannosidase, MAGNESIUM ION, alpha-D-mannopyranose-(1-6)-alpha-D-mannopyranose-(1-6)-alpha-D-mannopyranose | | Authors: | Males, A, Alonso-Gil, S, Fernandes, P, Williams, S.J, Rovira, C, Davies, G.J. | | Deposit date: | 2016-10-28 | | Release date: | 2016-11-30 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Computational Design of Experiment Unveils the Conformational Reaction Coordinate of GH125 alpha-Mannosidases.
J. Am. Chem. Soc., 139, 2017
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1BWX
 | | THE SOLUTION STRUCTURE OF HUMAN PARATHYROID HORMONE FRAGMENT 1-39, NMR, 10 STRUCTURES | | Descriptor: | PARATHYROID HORMONE | | Authors: | Marx, U.C, Roesch, P, Adermann, K, Bayer, P, Forssmann, W.-G. | | Deposit date: | 1998-09-29 | | Release date: | 2000-01-14 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structures of human parathyroid hormone fragments hPTH(1-34) and hPTH(1-39) and bovine parathyroid hormone fragment bPTH(1-37).
Biochem.Biophys.Res.Commun., 267, 2000
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