7AVF
 
 | | Triclinic hydrogenated hen egg-white lysozyme at 100 K (control) | | Descriptor: | ACETATE ION, Lysozyme, NITRATE ION | | Authors: | Ramos, J, Laux, V, Haertlein, M, Erba Boeri, E, Forsyth, V.T, Mossou, E, Larsen, S, Langkilde, A.E. | | Deposit date: | 2020-11-05 | | Release date: | 2021-05-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Structural insights into protein folding, stability and activity using in vivo perdeuteration of hen egg-white lysozyme.
Iucrj, 8, 2021
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7AVG
 | | Perdeuterated hen egg-white lysozyme at 100 K | | Descriptor: | ACETATE ION, Lysozyme, NITRATE ION | | Authors: | Ramos, J, Laux, V, Haertlein, M, Erba Boeri, E, Forsyth, V.T, Mossou, E, Larsen, S, Langkilde, A.E. | | Deposit date: | 2020-11-05 | | Release date: | 2021-05-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Structural insights into protein folding, stability and activity using in vivo perdeuteration of hen egg-white lysozyme.
Iucrj, 8, 2021
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5MAE
 | | CATHEPSIN L IN COMPLEX WITH (2S,4R)-4-(2-Chloro-4-methoxy-benzenesulfonyl)-1-[3-(5-chloro-pyridin-2-yl)-azetidine-3-carbonyl]-pyrrolidine-2-car boxylic acid (1-cyano-cyclopropyl)-amide | | Descriptor: | 1,2-ETHANEDIOL, Cathepsin L1, [4-[cyclopentyl(pyrazin-2-ylmethyl)amino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]methylideneazanide | | Authors: | Kuglstatter, A, Stihle, M, Benz, J. | | Deposit date: | 2016-11-03 | | Release date: | 2017-01-11 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Inhibition of the Cysteine Protease Human Cathepsin L by Triazine Nitriles: AmideHeteroarene pi-Stacking Interactions and Chalcogen Bonding in the S3 Pocket.
ChemMedChem, 12, 2017
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1O7J
 | | Atomic resolution structure of Erwinia chrysanthemi L-asparaginase | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, L-ASPARAGINASE, ... | | Authors: | Lubkowski, J, Dauter, M, Aghaiypour, K, Wlodawer, A, Dauter, Z. | | Deposit date: | 2002-11-07 | | Release date: | 2002-12-04 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Atomic Resolution Structure of Erwinia Chrysanthemi L-Asparaginase
Acta Crystallogr.,Sect.D, 59, 2003
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4B4E
 | | 1.00 A Structure of Lysozyme Crystallized with (R)-2-methyl-2,4- pentanediol | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, CHLORIDE ION, LYSOZYME C | | Authors: | Jakoncic, J, Berger, J, Stauber, M, Axelbaum, A, Asherie, N. | | Deposit date: | 2012-07-30 | | Release date: | 2012-08-22 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Crystallization of Lysozyme with (R)-, (S)- and (Rs)-2-Methyl-2,4-Pentanediol
Acta Crystallogr.,Sect.D, 71, 2015
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6PO6
 | | MicroED Structure of a Natural Product VFAThiaGlu | | Descriptor: | YFAThiaGlu | | Authors: | Halaby, S, Gonen, T, Ting, C.P, Funk, M.A, van der Donk, W.A. | | Deposit date: | 2019-07-03 | | Release date: | 2019-08-07 | | Last modified: | 2023-11-15 | | Method: | ELECTRON CRYSTALLOGRAPHY (1 Å) | | Cite: | Use of a scaffold peptide in the biosynthesis of amino acid-derived natural products.
Science, 365, 2019
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7Q0Z
 | | Crystal structure of CTX-M-14 | | Descriptor: | Beta-lactamase, GLYCEROL, SULFATE ION | | Authors: | Werner, N, Perbandt, M, Hinrichs, W, Prester, A, Rohde, H, Aepfelbacher, M, Betzel, C. | | Deposit date: | 2021-10-17 | | Release date: | 2022-04-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Structural basis to repurpose boron-based proteasome inhibitors Bortezomib and Ixazomib as beta-lactamase inhibitors.
Sci Rep, 12, 2022
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6SFQ
 | | Atomic resolution structure of human Carbonic Anhydrase II in complex with (R)-5-phenyloxazolidine-2,4-dione | | Descriptor: | (4-CARBOXYPHENYL)(CHLORO)MERCURY, (5R)-5-phenyl-1,3-oxazolidine-2,4-dione, Carbonic anhydrase 2, ... | | Authors: | Gloeckner, S, Ngo, K, Heine, A, Klebe, G. | | Deposit date: | 2019-08-02 | | Release date: | 2020-08-26 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Atomic resolution structure of human Carbonic Anhydrase II in complex with (R)-5-phenyloxazolidine-2,4-dione
To Be Published
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5WKB
 | | MicroED structure of the segment, NFGEFS, from the A315E familial variant of the low complexity domain of TDP-43, residues 312-317 | | Descriptor: | TAR DNA-binding protein 43 | | Authors: | Guenther, E.L, Sawaya, M.R, Cascio, D, Eisenberg, D.S. | | Deposit date: | 2017-07-24 | | Release date: | 2018-05-23 | | Last modified: | 2024-03-13 | | Method: | ELECTRON CRYSTALLOGRAPHY (1 Å) | | Cite: | Atomic structures of TDP-43 LCD segments and insights into reversible or pathogenic aggregation.
Nat. Struct. Mol. Biol., 25, 2018
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5SV5
 | | 1.0 Angstrom Crystal Structure of pre-Peptidase C-terminal Domain of Collagenase from Bacillus anthracis. | | Descriptor: | Microbial collagenase, SODIUM ION | | Authors: | Minasov, G, Shuvalova, L, Kiryukhina, O, Dubrovska, I, Shatsman, S, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2016-08-04 | | Release date: | 2016-08-17 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | 1.0 Angstrom Crystal Structure of pre-Peptidase C-terminal Domain of Collagenase from Bacillus anthracis.
To Be Published
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2JHF
 | | Structural evidence for a ligand coordination switch in liver alcohol dehydrogenase | | Descriptor: | ALCOHOL DEHYDROGENASE E CHAIN, CADMIUM ION, DIMETHYL SULFOXIDE, ... | | Authors: | Meijers, R, Adolph, H.W, Dauter, Z, Wilson, K.S, Lamzin, V.S, Cedergren-Zeppezauer, E.S. | | Deposit date: | 2007-02-22 | | Release date: | 2007-04-24 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Structural Evidence for a Ligand Coordination Switch in Liver Alcohol Dehydrogenase
Biochemistry, 46, 2007
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1C0R
 | | COMPLEX OF VANCOMYCIN WITH D-LACTIC ACID | | Descriptor: | CHLORIDE ION, LACTIC ACID, VANCOMYCIN, ... | | Authors: | Loll, P.J, Kaplan, J, Selinsky, B, Axelsen, P.H. | | Deposit date: | 1999-07-20 | | Release date: | 1999-07-30 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Vancomycin Binding to Low-Affinity Ligands: Delineating a Minimum Set of Interactions Necessary for High-Affinity Binding.
J.Med.Chem., 42, 1999
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1K2A
 | | Modified Form of Eosinophil-derived Neurotoxin | | Descriptor: | SULFATE ION, eosinophil-derived neurotoxin | | Authors: | Chang, C, Newton, D.L, Rybak, S.M, Wlodawer, A. | | Deposit date: | 2001-09-26 | | Release date: | 2002-04-03 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Crystallographic and functional studies of a modified form of eosinophil-derived neurotoxin (EDN) with novel biological activities.
J.Mol.Biol., 317, 2002
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5WS7
 | | Crystal structure of human MTH1(G2K/C87A/C104S mutant) in complex with 2-oxo-dATP | | Descriptor: | 7,8-dihydro-8-oxoguanine triphosphatase, SODIUM ION, [[(2R,3S,5R)-5-(6-azanyl-2-oxidanylidene-1H-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate | | Authors: | Nakamura, T, Waz, S, Hirata, K, Nakabeppu, Y, Yamagata, Y. | | Deposit date: | 2016-12-05 | | Release date: | 2017-01-04 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Structural and Kinetic Studies of the Human Nudix Hydrolase MTH1 Reveal the Mechanism for Its Broad Substrate Specificity
J. Biol. Chem., 292, 2017
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6EUW
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7N2E
 | | MicroED structure of human CPEB3 segment (154-161) straight polymorph | | Descriptor: | CPEB3 | | Authors: | Flores, M.D, Richards, L.S, Zee, C.T, Glynn, C, Gallagher-Jones, M, Sawaya, M.R. | | Deposit date: | 2021-05-29 | | Release date: | 2022-06-01 | | Last modified: | 2024-05-22 | | Method: | ELECTRON CRYSTALLOGRAPHY (1 Å) | | Cite: | Fragment-Based Ab Initio Phasing of Peptidic Nanocrystals by MicroED.
Acs Bio Med Chem Au, 3, 2023
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7B5W
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2I4A
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5JDT
 | | Structure of Spin-labelled T4 lysozyme mutant L118C-R1 at 100K | | Descriptor: | AZIDE ION, BETA-MERCAPTOETHANOL, CHLORIDE ION, ... | | Authors: | Loll, B, Consentius, P, Gohlke, U, Mueller, R, Kaupp, M, Heinemann, U, Wahl, M.C, Risse, T. | | Deposit date: | 2016-04-17 | | Release date: | 2016-09-28 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Tracking Transient Conformational States of T4 Lysozyme at Room Temperature Combining X-ray Crystallography and Site-Directed Spin Labeling.
J.Am.Chem.Soc., 138, 2016
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3WH1
 | | Crystal Structure of a Family GH19 Chitinase from Bryum coronatum in complex with (GlcNAc)4 at 1.0 A resolution | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chitinase A | | Authors: | Numata, T, Umemoto, N, Ohnuma, T, Fukamizo, T. | | Deposit date: | 2013-08-21 | | Release date: | 2014-03-26 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Crystal structure of a "loopless" GH19 chitinase in complex with chitin tetrasaccharide spanning the catalytic center.
Biochim.Biophys.Acta, 1844, 2014
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3RQ9
 | | Structure of Tsi2, a Tse2-immunity protein from Pseudomonas aeruginosa | | Descriptor: | Type VI secretion immunity protein | | Authors: | Li, M, Le Trong, I, Stenkamp, R.E, Mougous, J.D. | | Deposit date: | 2011-04-27 | | Release date: | 2012-03-21 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Structural Basis for Type VI Secretion Effector Recognition by a Cognate Immunity Protein.
Plos Pathog., 8, 2012
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2BV4
 | | 1.0A Structure of Chromobacterium Violaceum Lectin in Complex with alpha-methyl-mannoside | | Descriptor: | CALCIUM ION, LECTIN CV-IIL, methyl alpha-D-mannopyranoside | | Authors: | Pokorna, M, Cioci, G, Perret, S, Rebuffet, E, Adam, J, Gilboa-Garber, N, Mitchell, E.P, Imberty, A, Wimmerova, M. | | Deposit date: | 2005-06-22 | | Release date: | 2006-05-25 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Unusual Entropy Driven Affinity of Chromobacterium Violaceum Lectin Cv-Iil Towards Fucose and Mannose
Biochemistry, 45, 2006
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5MAJ
 | | CATHEPSIN L IN COMPLEX WITH 4-[cyclopentyl(imidazo[1,2-a]pyridin-2-ylmethyl)amino]-6-morpholino-1,3,5-triazine-2-carbonitrile | | Descriptor: | 1,2-ETHANEDIOL, Cathepsin L1, ~{N}-cyclopentyl-~{N}-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-(iminomethyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine | | Authors: | Kuglstatter, A, Stihle, M, Benz, J. | | Deposit date: | 2016-11-03 | | Release date: | 2017-01-11 | | Last modified: | 2017-02-22 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Inhibition of the Cysteine Protease Human Cathepsin L by Triazine Nitriles: AmideHeteroarene pi-Stacking Interactions and Chalcogen Bonding in the S3 Pocket.
ChemMedChem, 12, 2017
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1YRI
 | | Chicken villin subdomain HP-35, N68H, pH6.4 | | Descriptor: | ACETATE ION, IODIDE ION, Villin | | Authors: | Chiu, T.K, Kubelka, J, Herbst-Irmer, R, Eaton, W.A, Hofrichter, J, Davies, D.R. | | Deposit date: | 2005-02-03 | | Release date: | 2005-05-03 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | High-resolution x-ray crystal structures of the villin headpiece subdomain, an ultrafast folding protein.
Proc.Natl.Acad.Sci.Usa, 102, 2005
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7Q1Q
 | | De novo designed homo-dimeric antiparallel helices Homomer-S | | Descriptor: | ACETATE ION, Homomer-S | | Authors: | Shanmugaratnam, S, Rhys, G.G, Dawson, W.M, Woolfson, D.N, Hocker, B. | | Deposit date: | 2021-10-20 | | Release date: | 2022-07-20 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | De novo designed peptides for cellular delivery and subcellular localisation.
Nat.Chem.Biol., 18, 2022
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