5LUP
 
 | | Structures of DHBN domain of human BLM helicase | | Descriptor: | BLM protein, PHOSPHATE ION, POTASSIUM ION | | Authors: | Shi, J, Chen, W.-F, Zhang, B, Fan, S.-H, Ai, X, Liu, N.-N, Rety, S, Xi, X.-G. | | Deposit date: | 2016-09-09 | | Release date: | 2017-03-01 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.032 Å) | | Cite: | A helical bundle in the N-terminal domain of the BLM helicase mediates dimer and potentially hexamer formation.
J. Biol. Chem., 292, 2017
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2ZN7
 | | CRYSTAL STRUCTURES OF PTP1B-Inhibitor Complexes | | Descriptor: | 4-bromo-3-(carboxymethoxy)-5-{3-[cyclohexyl(phenylcarbonyl)amino]phenyl}thiophene-2-carboxylic acid, Tyrosine-protein phosphatase non-receptor type 1 | | Authors: | Xu, W, Wu, J. | | Deposit date: | 2008-04-22 | | Release date: | 2008-10-07 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure-based optimization of protein tyrosine phosphatase-1 B inhibitors: capturing interactions with arginine 24
Chemmedchem, 3, 2008
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5M0E
 | | Structure-based evolution of a hybrid steroid series of Autotaxin inhibitors | | Descriptor: | 7alpha-hydroxycholesterol, CALCIUM ION, Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, ... | | Authors: | Keune, W.-J, Heidebrecht, T, Perrakis, A. | | Deposit date: | 2016-10-04 | | Release date: | 2017-08-16 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Rational Design of Autotaxin Inhibitors by Structural Evolution of Endogenous Modulators.
J. Med. Chem., 60, 2017
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5DZ2
 | | Geosmin synthase from Streptomyces coelicolor N-terminal domain complexed with three Mg2+ ions and alendronic acid | | Descriptor: | ALENDRONATE, Germacradienol/geosmin synthase, MAGNESIUM ION | | Authors: | Harris, G.G, Lombardi, P.M, Pemberton, T.A, Matsui, T, Weiss, T.M, Cole, K.E, Koksal, M, Murphy, F.V, Vedula, L.S, Chou, W.K.W, Cane, D.E, Christianson, D.W. | | Deposit date: | 2015-09-25 | | Release date: | 2015-12-09 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.111 Å) | | Cite: | Structural Studies of Geosmin Synthase, a Bifunctional Sesquiterpene Synthase with alpha alpha Domain Architecture That Catalyzes a Unique Cyclization-Fragmentation Reaction Sequence.
Biochemistry, 54, 2015
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2MAD
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2TSR
 | | THYMIDYLATE SYNTHASE FROM RAT IN TERNARY COMPLEX WITH DUMP AND TOMUDEX | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE, TOMUDEX | | Authors: | Sotelo-Mundo, R.R, Ciesla, J, Dzik, J.M, Rode, W, Maley, F, Maley, G, Hardy, L.W, Montfort, W.R. | | Deposit date: | 1998-06-19 | | Release date: | 1999-02-16 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structures of rat thymidylate synthase inhibited by Tomudex, a potent anticancer drug.
Biochemistry, 38, 1999
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6RTD
 | | Dihydro-heme d1 dehydrogenase NirN in complex with DHE | | Descriptor: | (R,R)-2,3-BUTANEDIOL, Cytochrome c, HEME C, ... | | Authors: | Kluenemann, T, Preuss, A, Layer, G, Blankenfeldt, W. | | Deposit date: | 2019-05-23 | | Release date: | 2019-06-19 | | Last modified: | 2019-08-28 | | Method: | X-RAY DIFFRACTION (2.36 Å) | | Cite: | Crystal Structure of Dihydro-Heme d1Dehydrogenase NirN from Pseudomonas aeruginosa Reveals Amino Acid Residues Essential for Catalysis.
J.Mol.Biol., 431, 2019
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7OVC
 | | Structure of the human UFC1 protein in complex with the UBA5 C-terminal UFC1-binding motif. | | Descriptor: | Ubiquitin-fold modifier-conjugating enzyme 1, Ubiquitin-like modifier-activating enzyme 5 | | Authors: | Wesch, W, Loehr, F, Rogova, N, Doetsch, V, Rogov, V.V. | | Deposit date: | 2021-06-14 | | Release date: | 2021-08-04 | | Last modified: | 2024-06-19 | | Method: | SOLUTION NMR | | Cite: | A Concerted Action of UBA5 C-Terminal Unstructured Regions Is Important for Transfer of Activated UFM1 to UFC1.
Int J Mol Sci, 22, 2021
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4B99
 | | Crystal Structure of MAPK7 (ERK5) with inhibitor | | Descriptor: | 11-cyclopentyl-2-[[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]carbonyl-phenyl]amino]-5-methyl-pyrimido[4,5-b][1,4]benzodiazepin-6-one, MITOGEN-ACTIVATED PROTEIN KINASE 7 | | Authors: | Elkins, J.M, Wang, J, Vollmar, M, Mahajan, P, Savitsky, P, Deng, X, Gray, N.S, Pike, A.C.W, von Delft, F, Bountra, C, Arrowsmith, C, Edwards, A, Knapp, S. | | Deposit date: | 2012-09-03 | | Release date: | 2012-09-19 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | X-Ray Crystal Structure of Erk5 (Mapk7) in Complex with a Specific Inhibitor.
J.Med.Chem., 56, 2013
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3ISQ
 | | Crystal structure of human 4-Hydroxyphenylpyruvate dioxygenase | | Descriptor: | 1,2-ETHANEDIOL, 4-hydroxyphenylpyruvate dioxygenase, CHLORIDE ION, ... | | Authors: | Pilka, E.S, Shafqat, N, Cocking, R, Bray, J.E, Krojer, T, Pike, A.C.W, von Delft, F, Yue, W.W, Arrowsmith, C.H, Weigelt, J, Edwards, A, Bountra, C, Oppermann, U, Kavanagh, K.L, Structural Genomics Consortium (SGC) | | Deposit date: | 2009-08-27 | | Release date: | 2009-09-15 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Crystal structure of human 4-Hydroxyphenylpyruvate dioxygenase
to be published
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6RUO
 | | RNA Polymerase I Open Complex conformation 1 | | Descriptor: | DNA-directed RNA polymerase I subunit RPA12, DNA-directed RNA polymerase I subunit RPA135, DNA-directed RNA polymerase I subunit RPA14, ... | | Authors: | Mueller, C.W, Sadian, Y, Tafur, L. | | Deposit date: | 2019-05-28 | | Release date: | 2019-12-11 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Molecular insight into RNA polymerase I promoter recognition and promoter melting.
Nat Commun, 10, 2019
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4BKR
 | | Enoyl-ACP reductase from Yersinia pestis (wildtype, removed Histag) with cofactor NADH | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Hirschbeck, M.W, Neckles, C, Tonge, P.J, Kisker, C. | | Deposit date: | 2013-04-29 | | Release date: | 2014-05-14 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.798 Å) | | Cite: | Selectivity of Pyridone- and Diphenyl Ether-Based Inhibitors for the Yersinia Pestis Fabv Enoyl-Acp Reductase.
Biochemistry, 55, 2016
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5M4Z
 | | Crystal structure of the complex of T.spiralis thymidylate synthase with N(4)-hydroxy-2'-deoxycytidine-5'-monophosphate, crystallized in the presence of N(5,10)-methylenetetrahydrofolate | | Descriptor: | GLYCEROL, Thymidylate synthase, [(2~{R},3~{S},5~{R})-5-[(4~{E})-4-hydroxyimino-2-oxidanylidene-1,3-diazinan-1-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate | | Authors: | Wilk, P, Maj, P, Jarmula, A, Dowiercial, A, Rode, W. | | Deposit date: | 2016-10-19 | | Release date: | 2017-12-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.179 Å) | | Cite: | Molecular Mechanism of Thymidylate Synthase Inhibition by N 4 -Hydroxy-dCMP in View of Spectrophotometric and Crystallographic Studies.
Int J Mol Sci, 22, 2021
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5M70
 | | Crystal Structure of human RhoGAP mutated in its arginin finger (R85A) in complex with RhoA.GDP.AlF4- human | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Rho GTPase-activating protein 1, ... | | Authors: | Pellegrini, E, Bowler, M.W. | | Deposit date: | 2016-10-26 | | Release date: | 2017-05-17 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Assessing the Influence of Mutation on GTPase Transition States by Using X-ray Crystallography, (19) F NMR, and DFT Approaches.
Angew. Chem. Int. Ed. Engl., 56, 2017
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1WVE
 | | p-Cresol Methylhydroxylase: Alteration of the Structure of the Flavoprotein Subunit upon its Binding to the Cytochrome Subunit | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-cresol dehydrogenase [hydroxylating] cytochrome c subunit, 4-cresol dehydrogenase [hydroxylating] flavoprotein subunit, ... | | Authors: | Cunane, L.M, Chen, Z.-W, McIntire, W.S, Mathews, F.S. | | Deposit date: | 2004-12-15 | | Release date: | 2005-03-08 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | p-Cresol Methylhydroxylase: Alteration of the Structure of the Flavoprotein Subunit upon Its Binding to the Cytochrome Subunit
Biochemistry, 44, 2005
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8EPQ
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5MD7
 | | The structure of the mature HIV-1 CA hexameric lattice with curvature parameters: tilt=11, twist=-12 | | Descriptor: | Capsid protein p24 | | Authors: | Mattei, S, Glass, B, Hagen, W.J.H, Kraeusslich, H.-G, Briggs, J.A.G. | | Deposit date: | 2016-11-10 | | Release date: | 2016-12-28 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (8.4 Å) | | Cite: | The structure and flexibility of conical HIV-1 capsids determined within intact virions.
Science, 354, 2016
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4B96
 | | Family 3b carbohydrate-binding module from the biomass sensoring system of Clostridium clariflavum | | Descriptor: | CALCIUM ION, CELLULOSE BINDING DOMAIN-CONTAINING PROTEIN, CHLORIDE ION | | Authors: | Yaniv, O, Reddy, Y.H.K, Yoffe, H, Shimon, L.J.W, Bayer, E.A, Lamed, R, Frolow, F. | | Deposit date: | 2012-09-02 | | Release date: | 2013-09-18 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.911 Å) | | Cite: | Structure of Cbm3B from the Biomass Sensoring System of Clostridium Clarifalvum
To be Published
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5M8N
 | | Crystal structure of human tyrosinase related protein 1 in complex with mimosine | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Lai, X, Soler-Lopez, M, Wichers, H.J, Dijkstra, B.W. | | Deposit date: | 2016-10-29 | | Release date: | 2017-07-12 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure of Human Tyrosinase Related Protein 1 Reveals a Binuclear Zinc Active Site Important for Melanogenesis.
Angew. Chem. Int. Ed. Engl., 56, 2017
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5MD9
 | | The structure of the mature HIV-1 CA hexameric lattice with curvature parameters: tilt=17, twist=6 | | Descriptor: | Capsid protein p24 C-terminal domain, Capsid protein p24 N-terminal domain | | Authors: | Mattei, S, Glass, B, Hagen, W.J.H, Kraeusslich, H.-G, Briggs, J.A.G. | | Deposit date: | 2016-11-10 | | Release date: | 2016-12-28 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (8 Å) | | Cite: | The structure and flexibility of conical HIV-1 capsids determined within intact virions.
Science, 354, 2016
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8EPP
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2NAE
 | | Membrane-bound mouse CD28 cytoplasmic tail | | Descriptor: | T-cell-specific surface glycoprotein CD28 | | Authors: | Li, H, Xu, C, Pan, W. | | Deposit date: | 2015-12-23 | | Release date: | 2016-12-21 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Dynamic regulation of CD28 conformation and signaling by charged lipids and ions.
Nat.Struct.Mol.Biol., 24, 2017
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4CLA
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8ELJ
 | | SARS-CoV-2 spike glycoprotein in complex with the ICO-hu23 neutralizing antibody Fab fragment | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ICO-hu23 antibody Fab heavy chain, ... | | Authors: | Yee, A.W, Morizumi, T, Kim, K, Kuo, A, Ernst, O.P. | | Deposit date: | 2022-09-24 | | Release date: | 2023-07-19 | | Last modified: | 2023-08-16 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Broadly neutralizing humanized SARS-CoV-2 antibody binds to a conserved epitope on Spike and provides antiviral protection through inhalation-based delivery in non-human primates.
Plos Pathog., 19, 2023
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376D
 | | A ZIPPER-LIKE DNA DUPLEX D(GCGAAAGCT) | | Descriptor: | COBALT HEXAMMINE(III), DNA (5'-D(*GP*(CBR)P*GP*AP*AP*AP*GP*CP*T)-3') | | Authors: | Cruse, W.B.T, Shepard, W, Prange, T, delalFortelle, E, Fourme, R. | | Deposit date: | 1998-01-22 | | Release date: | 1999-10-26 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A zipper-like duplex in DNA: the crystal structure of d(GCGAAAGCT) at 2.1 A resolution.
Structure, 6, 1998
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