5JEV
 
 | | del-[Ru(phen)2(dppz]2+ bound to d(TCGGCGCCGA) with Cobalt hexammine | | Descriptor: | COBALT HEXAMMINE(III), DNA (5'-D(*TP*CP*GP*GP*CP*GP*CP*CP*GP*A)-3'), Delta-Ru(phen)2(dppz) complex | | Authors: | Hall, J.P, Cardin, C.J. | | Deposit date: | 2016-04-19 | | Release date: | 2016-09-14 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (0.99 Å) | | Cite: | Delta chirality ruthenium 'light-switch' complexes can bind in the minor groove of DNA with five different binding modes.
Nucleic Acids Res., 44, 2016
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1SFD
 | | oxidized form of amicyanin mutant P94F | | Descriptor: | Amicyanin, COPPER (II) ION, SULFATE ION | | Authors: | Carrell, C.J, Sun, D, Jiang, S, Davidson, V.L, Mathews, F.S. | | Deposit date: | 2004-02-19 | | Release date: | 2004-07-27 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (0.99 Å) | | Cite: | Structural Studies of Two Mutants of Amicyanin from Paracoccus denitrificans That Stabilize the Reduced State of the Copper.
Biochemistry, 43, 2004
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4GZN
 | | Mouse ZFP57 zinc fingers in complex with methylated DNA | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, CALCIUM ION, ... | | Authors: | Liu, Y, Zhang, X, Cheng, X. | | Deposit date: | 2012-09-06 | | Release date: | 2012-10-17 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (0.99 Å) | | Cite: | An atomic model of Zfp57 recognition of CpG methylation within a specific DNA sequence.
Genes Dev., 26, 2012
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5O0U
 | | Crystal structure of tarantula venom peptide Protoxin-II | | Descriptor: | 1,2-ETHANEDIOL, Beta/omega-theraphotoxin-Tp2a, CHLORIDE ION | | Authors: | Tabor, A, McCarthy, S, Reyes, F.E. | | Deposit date: | 2017-05-17 | | Release date: | 2017-09-13 | | Last modified: | 2019-03-27 | | Method: | X-RAY DIFFRACTION (0.99 Å) | | Cite: | The Role of Disulfide Bond Replacements in Analogues of the Tarantula Toxin ProTx-II and Their Effects on Inhibition of the Voltage-Gated Sodium Ion Channel Nav1.7.
J.Am.Chem.Soc., 139, 2017
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3DW3
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6G1I
 | | GH124 cellulase from Ruminiclostridium thermocellum in complex with Mn and fructosylated cellopentaose | | Descriptor: | Glycosyl Hydrolase, MALONIC ACID, MANGANESE (II) ION, ... | | Authors: | Urresti, S, Davies, G.J, Walton, P.H. | | Deposit date: | 2018-03-21 | | Release date: | 2018-08-15 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (0.99 Å) | | Cite: | Structural studies of the unusual metal-ion site of the GH124 endoglucanase from Ruminiclostridium thermocellum.
Acta Crystallogr F Struct Biol Commun, 74, 2018
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4Y5L
 | | Endothiapepsin in its apo form | | Descriptor: | ACETATE ION, DI(HYDROXYETHYL)ETHER, Endothiapepsin, ... | | Authors: | Schiebel, J, Heine, A, Klebe, G. | | Deposit date: | 2015-02-11 | | Release date: | 2016-03-02 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (0.99 Å) | | Cite: | Crystallographic Fragment Screening of an Entire Library
To Be Published
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7TB7
 | | Crystal structure of D179N KPC-2 beta-lactamase | | Descriptor: | CITRIC ACID, Carbapenem-hydrolyzing beta-lactamase KPC | | Authors: | van den Akker, F, Alsenani, T. | | Deposit date: | 2021-12-21 | | Release date: | 2022-03-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (0.99 Å) | | Cite: | Structural Characterization of the D179N and D179Y Variants of KPC-2 beta-Lactamase: Omega-Loop Destabilization as a Mechanism of Resistance to Ceftazidime-Avibactam.
Antimicrob.Agents Chemother., 66, 2022
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1MWQ
 | | Structure of HI0828, a Hypothetical Protein from Haemophilus influenzae with a Putative Active-Site Phosphohistidine | | Descriptor: | CACODYLATE ION, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Willis, M.A, Krajewski, W, Chalamasetty, V.R, Reddy, P, Howard, A, Herzberg, O, Structure 2 Function Project (S2F) | | Deposit date: | 2002-09-30 | | Release date: | 2003-11-25 | | Last modified: | 2019-07-24 | | Method: | X-RAY DIFFRACTION (0.99 Å) | | Cite: | Structure of YciI from Haemophilus influenzae (HI0828) reveals a ferredoxin-like alpha/beta-fold with a histidine/aspartate centered catalytic site
Proteins, 59, 2005
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4RJ2
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1C58
 | | CRYSTAL STRUCTURE OF CYCLOAMYLOSE 26 | | Descriptor: | Cyclohexacosakis-(1-4)-(alpha-D-glucopyranose) | | Authors: | Gessler, K, Saenger, W, Nimz, O. | | Deposit date: | 1999-11-04 | | Release date: | 1999-11-10 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (0.99 Å) | | Cite: | V-Amylose at atomic resolution: X-ray structure of a cycloamylose with 26 glucose residues (cyclomaltohexaicosaose).
Proc.Natl.Acad.Sci.USA, 96, 1999
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3F7L
 | | X-ray Crystal Structure of Alvinella pompejana Cu,Zn Superoxide Dismutase | | Descriptor: | ACETIC ACID, COPPER (I) ION, COPPER (II) ION, ... | | Authors: | Shin, D.S, DiDonato, M, Barondeau, D.P, Getzoff, E.D, Tainer, J.A. | | Deposit date: | 2008-11-09 | | Release date: | 2009-02-10 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (0.99 Å) | | Cite: | Superoxide Dismutase from the Eukaryotic Thermophile Alvinella pompejana: Structures, Stability, Mechanism, and Insights into Amyotrophic Lateral Sclerosis.
J.Mol.Biol., 385, 2009
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7KOM
 | | High Resolution Crystal Structure of Putative Pterin Binding Protein PruR (VV2_1280) from Vibrio vulnificus CMCP6 | | Descriptor: | FORMIC ACID, Oxidored_molyb domain-containing protein, SODIUM ION | | Authors: | Minasov, G, Shuvalova, L, Kiryukhina, O, Dubrovska, I, Endres, M, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2020-11-09 | | Release date: | 2021-11-17 | | Method: | X-RAY DIFFRACTION (0.99 Å) | | Cite: | High Resolution Crystal Structure of Putative Pterin Binding Protein PruR (VV2_1280) from Vibrio vulnificus CMCP6.
To Be Published
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6DKZ
 | | Racemic structure of ribifolin, an orbitide from Jatropha ribifolia | | Descriptor: | ribifolin | | Authors: | Wang, C.K, King, G.J, Ramalho, S.D. | | Deposit date: | 2018-05-31 | | Release date: | 2018-11-14 | | Last modified: | 2020-01-01 | | Method: | X-RAY DIFFRACTION (0.99 Å) | | Cite: | Synthesis, Racemic X-ray Crystallographic, and Permeability Studies of Bioactive Orbitides from Jatropha Species.
J. Nat. Prod., 81, 2018
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5CKL
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6JJQ
 | | Crystal structure of peptidyl-tRNA hydrolase from Acinetobacter baumannii at 0.99 A resolution. | | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, Peptidyl-tRNA hydrolase, ... | | Authors: | Viswanathan, V, Bairagya, H.R, Sharma, P, Sharma, S, Singh, T.P. | | Deposit date: | 2019-02-26 | | Release date: | 2019-03-06 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (0.99 Å) | | Cite: | Crystal structure of peptidyl-tRNA hydrolase from Acinetobacter baumannii at 0.99 A resolution.
To Be Published
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1P1X
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6TD0
 | | Crystal structure of vaborbactam bound to KPC-2 | | Descriptor: | Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, SULFATE ION, ... | | Authors: | Tooke, C.L, Hinchliffe, P, Spencer, J. | | Deposit date: | 2019-11-07 | | Release date: | 2020-01-22 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (0.99 Å) | | Cite: | Cyclic boronates as versatile scaffolds for KPC-2 beta-lactamase inhibition.
Rsc Med Chem, 11, 2020
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3DWE
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7DMM
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4AQO
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3X2H
 | | X-ray structure of PcCel45A N92D with cellopentaose at 95K. | | Descriptor: | 3-methylpentane-1,5-diol, Endoglucanase V-like protein, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-alpha-D-glucopyranose, ... | | Authors: | Nakamura, A, Ishida, T, Samejima, M, Igarashi, K. | | Deposit date: | 2014-12-22 | | Release date: | 2015-10-07 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (0.99 Å) | | Cite: | "Newton's cradle" proton relay with amide-imidic acid tautomerization in inverting cellulase visualized by neutron crystallography.
Sci Adv, 1, 2015
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2Y61
 | | Crystal structure of Leishmanial E65Q-TIM complexed with S-Glycidol phosphate | | Descriptor: | GLYCEROL, SN-GLYCEROL-1-PHOSPHATE, SN-GLYCEROL-3-PHOSPHATE, ... | | Authors: | Venkatesan, R, Alahuhta, M, Pihko, P.M, Wierenga, R.K. | | Deposit date: | 2011-01-19 | | Release date: | 2011-12-14 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (0.99 Å) | | Cite: | High resolution crystal structures of triosephosphate isomerase complexed with its suicide inhibitors: the conformational flexibility of the catalytic glutamate in its closed, liganded active site.
Protein Sci., 20, 2011
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1JXU
 | | CRAMBIN MIXED SEQUENCE FORM AT 240 K. PROTEIN/WATER SUBSTATES | | Descriptor: | Crambin, ETHANOL | | Authors: | Teeter, M.M, Yamano, A, Stec, B, Mohanty, U. | | Deposit date: | 2001-09-09 | | Release date: | 2001-10-31 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (0.99 Å) | | Cite: | On the nature of a glassy state of matter in a hydrated protein: Relation to protein function.
Proc.Natl.Acad.Sci.USA, 98, 2001
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5RCB
 | | PanDDA analysis group deposition -- Endothiapepsin changed state model for fragment F2X-Entry Library G09a | | Descriptor: | (2R)-2-(acetylamino)-4-phenylbutanoic acid, ACETATE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | | Deposit date: | 2020-03-24 | | Release date: | 2020-06-03 | | Last modified: | 2020-06-17 | | Method: | X-RAY DIFFRACTION (0.99 Å) | | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
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