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4AYO
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STRUCTURE OF THE GH47 PROCESSING ALPHA-1,2-MANNOSIDASE FROM CAULOBACTER STRAIN K31
Descriptor:MANNOSYL-OLIGOSACCHARIDE 1,2-ALPHA-MANNOSIDASE, CALCIUM ION, SODIUM ION, ...
Authors:Thompson, A.J., Dabin, J., Iglesias-Fernandez, J., Iglesias-Fernandez, A., Dinev, Z., Williams, S.J., Siriwardena, A., Moreland, C., Hu, T.C., Smith, D.K., Gilbert, H.J., Rovira, C., Davies, G.J.
Deposit date:2012-06-21
Release date:2013-01-30
Last modified:2015-03-25
Method:X-RAY DIFFRACTION (0.85 Å)
Cite:The Reaction Coordinate of a Bacterial Gh47 Alpha-Mannosidase: A Combined Quantum Mechanical and Structural Approach.
Angew.Chem.Int.Ed.Engl., 51, 2012
4AYP
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STRUCTURE OF THE GH47 PROCESSING ALPHA-1,2-MANNOSIDASE FROM CAULOBACTER STRAIN K31 IN COMPLEX WITH THIOMANNOBIOSIDE
Descriptor:MANNOSYL-OLIGOSACCHARIDE 1,2-ALPHA-MANNOSIDASE, CALCIUM ION, SODIUM ION, ...
Authors:Thompson, A.J., Dabin, J., Iglesias-Fernandez, J., Iglesias-Fernandez, A., Dinev, Z., Williams, S.J., Siriwardena, A., Moreland, C., Hu, T.C., Smith, D.K., Gilbert, H.J., Rovira, C., Davies, G.J.
Deposit date:2012-06-21
Release date:2013-01-30
Method:X-RAY DIFFRACTION (0.85 Å)
Cite:The Reaction Coordinate of a Bacterial Gh47 Alpha-Mannosidase: A Combined Quantum Mechanical and Structural Approach.
Angew.Chem.Int.Ed.Engl., 51, 2012
4D5M
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GONADOTROPIN-RELEASING HORMONE AGONIST
Descriptor:TRIPTORELIN, PHOSPHATE ION
Authors:Legrand, P., Le Du, M.-H., Valery, C., Deville-Foillard, S., Paternostre, M., Artzner, F.
Deposit date:2014-11-05
Release date:2015-08-12
Method:X-RAY DIFFRACTION (0.85 Å)
Cite:Atomic View of the Histidine Environment Stabilizing Higher- Ph Conformations of Ph-Dependent Proteins.
Nat.Commun., 6, 2015
4HIF
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ULTRAHIGH-RESOLUTION CRYSTAL STRUCTURE OF Z-DNA IN COMPLEX WITH ZN2+ IONS
Descriptor:DNA (5'-D(*CP*GP*CP*GP*CP*G)-3'), ZINC ION, CHLORIDE ION, ...
Authors:Drozdzal, P., Gilski, M., Kierzek, R., Lomozik, L., Jaskolski, M.
Deposit date:2012-10-11
Release date:2013-06-05
Last modified:2017-09-27
Method:X-RAY DIFFRACTION (0.85 Å)
Cite:Ultrahigh-resolution crystal structures of Z-DNA in complex with Mn(2+) and Zn(2+) ions.
Acta Crystallogr.,Sect.D, 69, 2013
4I8K
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BOVINE TRYPSIN AT 0.85 RESOLUTION
Descriptor:Cationic trypsin, CALCIUM ION, BENZAMIDINE, ...
Authors:Dauter, Z., Liebschner, D., Dauter, M., Brzuszkiewicz, A.
Deposit date:2012-12-03
Release date:2012-12-19
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (0.85 Å)
Cite:On the reproducibility of protein crystal structures: five atomic resolution structures of trypsin.
Acta Crystallogr.,Sect.D, 69, 2013
4IGS
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CRYSTAL STRUCTURE OF HUMAN ALDOSE REDUCTASE COMPLEXED WITH NADP+ AND JF0064
Descriptor:Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 2,2',3,3',5,5',6,6'-octafluorobiphenyl-4,4'-diol
Authors:Cousido-Siah, A., Ruiz, F.X., Mitschler, A., Porte, S., de Lera, A.R., Martin, M.J., de la Fuente, J.A., Klebe, G., Farres, J., Pares, X., Podjarny, A.
Deposit date:2012-12-18
Release date:2014-03-19
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (0.85 Å)
Cite:Identification of a novel polyfluorinated compound as a lead to inhibit the human enzymes aldose reductase and AKR1B10: structure determination of both ternary complexes and implications for drug design.
Acta Crystallogr.,Sect.D, 70, 2014
4LAZ
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CRYSTAL STRUCTURE OF HUMAN AR COMPLEXED WITH NADP+ AND {5-CHLORO-2-[(4-IODOBENZYL)CARBAMOYL]PHENOXY}ACETIC ACID
Descriptor:Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {5-chloro-2-[(4-iodobenzyl)carbamoyl]phenoxy}acetic acid
Authors:Cousido-Siah, A., Mitschler, A., Ruiz, F.X., Fanfrlik, J., Kolar, M., Hobza, P., Podjarny, A.
Deposit date:2013-06-20
Release date:2014-04-30
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (0.85 Å)
Cite:Modulation of aldose reductase inhibition by halogen bond tuning.
Acs Chem.Biol., 8, 2013
4O8H
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0.85A RESOLUTION STRUCTURE OF PEG 400 BOUND CYCLOPHILIN D
Descriptor:Peptidyl-prolyl cis-trans isomerase F, mitochondrial, DI(HYDROXYETHYL)ETHER, ...
Authors:Lovell, S., Valasani, K.R., Battaile, K.P., Wang, C., Yan, S.S.
Deposit date:2013-12-27
Release date:2014-06-11
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (0.85 Å)
Cite:High-resolution crystal structures of two crystal forms of human cyclophilin D in complex with PEG 400 molecules.
Acta Crystallogr F Struct Biol Commun, 70, 2014
4PSY
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100K CRYSTAL STRUCTURE OF ESCHERICHIA COLI DIHYDROFOLATE REDUCTASE
Descriptor:Dihydrofolate reductase, FOLIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Wilson, M.A., Wan, Q., Bennet, B.C., Dealwis, C., Ringe, D., Petsko, G.A.
Deposit date:2014-03-08
Release date:2014-05-14
Last modified:2014-12-17
Method:X-RAY DIFFRACTION (0.85 Å)
Cite:Toward resolving the catalytic mechanism of dihydrofolate reductase using neutron and ultrahigh-resolution X-ray crystallography.
Proc.Natl.Acad.Sci.USA, 22, 2014
4PTH
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ENSEMBLE MODEL FOR ESCHERICHIA COLI DIHYDROFOLATE REDUCTASE AT 100K
Descriptor:Dihydrofolate reductase, FOLIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Keedy, D.A., van den Bedem, H., Sivak, D.A., Petsko, G.A., Ringe, D., Wilson, M.A., Fraser, J.S.
Deposit date:2014-03-10
Release date:2014-05-14
Last modified:2014-11-12
Method:X-RAY DIFFRACTION (0.85 Å)
Cite:Crystal Cryocooling Distorts Conformational Heterogeneity in a Model Michaelis Complex of DHFR.
Structure, 22, 2014
4XXG
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STRUCTURE OF PROTONATED CHOLESTEROL OXIDASE FROM STREPTOMYCES SA-COO
Descriptor:Cholesterol oxidase, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Golden, E., Vrielink, A.
Deposit date:2015-01-30
Release date:2015-12-30
Method:X-RAY DIFFRACTION (0.85 Å)
Cite:Production and characterization of recombinant perdeuterated cholesterol oxidase.
Anal.Biochem., 485, 2015
5EMB
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CRYSTAL STRUCTURE OF THE SNX27 PDZ DOMAIN BOUND TO THE C-TERMINAL PHOSPHORYLATED PTHR PDZ BINDING MOTIF
Descriptor:Sorting nexin-27, GLU-GLU-TRP-SEP-THR-VAL-MET
Authors:Collins, B.M., Clairfeuille, T.
Deposit date:2015-11-06
Release date:2016-09-07
Last modified:2016-10-19
Method:X-RAY DIFFRACTION (0.85 Å)
Cite:A molecular code for endosomal recycling of phosphorylated cargos by the SNX27-retromer complex.
Nat.Struct.Mol.Biol., 23, 2016
5JQF
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CRYSTAL STRUCTURE OF THE LASSO PEPTIDE SPHINGOPYXIN I (SPI)
Descriptor:Sphingopyxin I
Authors:Fage, C.D., Hegemann, J.D., Harms, K., Bange, G., Marahiel, M.A.
Deposit date:2016-05-04
Release date:2016-09-14
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (0.85 Å)
Cite:Structure and Mechanism of the Sphingopyxin I Lasso Peptide Isopeptidase.
Angew. Chem. Int. Ed. Engl., 55, 2016
5VLE
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ULTRAHIGH RESOLUTION X-RAY CRYSTAL STRUCTURE OF RUTHENOCENE CONJUGATED PENICILLOATE AND PENILLOATE PRODUCTS IN COMPLEX WITH CTX-M-14 E166A BETA-LACTAMASE
Descriptor:Beta-lactamase, [(1,2,3,4,5-eta)-1-(4-{[(4-carboxy-5,5-dimethyl-1,3-thiazolidin-2-yl)methyl]amino}-4-oxobutanoyl)cyclopentadienyl][(1,2,3,4,5-eta)-cyclopentadienyl]ruthenium, [(1,2,3,4,5-eta)-1-(4-{[carboxy(4-carboxy-5,5-dimethyl-1,3-thiazolidin-2-yl)methyl]amino}-4-oxobutanoyl)cyclopentadienyl][(1,2,3,4,5-eta)-cyclopentadienyl]ruthenium, ...
Authors:Lewandowski, E.M., Chen, Y.
Deposit date:2017-04-25
Release date:2017-11-08
Last modified:2018-01-17
Method:X-RAY DIFFRACTION (0.85 Å)
Cite:Mechanisms of proton relay and product release by Class A beta-lactamase at ultrahigh resolution.
FEBS J., 285, 2018
5XVT
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CRYSTAL STRUCTURE OF TRANSKETOLASE IN COMPLEX WITH HYDROXYLATED TPP FROM PICHIA STIPITIS, CRYSTAL 2
Descriptor:Transketolase, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Li, T.L., Hsu, N.S., Wang, Y.L.
Deposit date:2017-06-28
Release date:2018-04-25
Method:X-RAY DIFFRACTION (0.85 Å)
Cite:The Mesomeric Effect of Thiazolium on non-Kekule Diradicals in Pichia stipitis Transketolase.
Angew. Chem. Int. Ed. Engl., 57, 2018
5YOK
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STRUCTURE OF HIV-1 PROTEASE IN COMPLEX WITH INHIBITOR KNI-1657
Descriptor:HIV-1 PROTEASE, (4R)-N-[(2,6-dimethylphenyl)methyl]-3-[(2S,3S)-3-[[(2S)-2-[(7-methoxy-1-benzofuran-2-yl)carbonylamino]-2-[(3R)-oxolan-3-yl]ethanoyl]amino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide, GLYCEROL
Authors:Adachi, M., Hidaka, K., Kuroki, R., Kiso, Y.
Deposit date:2017-10-29
Release date:2018-07-18
Method:X-RAY DIFFRACTION (0.85 Å)
Cite:Identification of Highly Potent Human Immunodeficiency Virus Type-1 Protease Inhibitors against Lopinavir and Darunavir Resistant Viruses from Allophenylnorstatine-Based Peptidomimetics with P2 Tetrahydrofuranylglycine.
J. Med. Chem., 61, 2018
6ETK
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ATOMIC RESOLUTION STRUCTURE OF RNASE A (DATA COLLECTION 1)
Descriptor:Ribonuclease pancreatic, ISOPROPYL ALCOHOL
Authors:Caterino, M., Vergara, A., Merlino, A.
Deposit date:2017-10-27
Release date:2018-02-21
Method:X-RAY DIFFRACTION (0.85 Å)
Cite:Raman-markers of X-ray radiation damage of proteins.
Int. J. Biol. Macromol., 111, 2018
6ETL
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ATOMIC RESOLUTION STRUCTURE OF RNASE A (DATA COLLECTION 2)
Descriptor:Ribonuclease pancreatic, ISOPROPYL ALCOHOL
Authors:Caterino, M., Vergara, A., Merlino, A.
Deposit date:2017-10-27
Release date:2018-02-21
Method:X-RAY DIFFRACTION (0.85 Å)
Cite:Raman-markers of X-ray radiation damage of proteins.
Int. J. Biol. Macromol., 111, 2018
6JGI
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CRYSTAL STRUCTURE OF THE S65T/F99S/M153T/V163A VARIANT OF GFP AT 0.85 A
Descriptor:Green fluorescent protein
Authors:Tai, Y., Takaba, K., Hanazono, Y., Miki, K., Takeda, K.
Deposit date:2019-02-14
Release date:2019-04-17
Last modified:2019-05-29
Method:X-RAY DIFFRACTION (0.85 Å)
Cite:Subatomic resolution X-ray structures of green fluorescent protein.
Iucrj, 6, 2019
5MRX
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27-NT SRL WITH A 5-HYDROXYMETHYL CYTIDINE MODIFICATION
Descriptor:RNA (27-MER)
Authors:Ennifar, E., Micura, R.
Deposit date:2016-12-28
Release date:2018-01-17
Method:X-RAY DIFFRACTION (0.851 Å)
Cite:Xray structure of 5hmrc-modified RNA at atomic resolution
To Be Published
5NQI
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E.COLI 16S RRNA SARCIN-RICIN LOOP CONTAINING A 5-HYDROXYMETHYLCYTOSINE MODIFICATION
Descriptor:E.Coli 27-mer SRL RNA
Authors:Ennifar, E., Micura, R.
Deposit date:2017-04-20
Release date:2017-07-26
Last modified:2017-08-16
Method:X-RAY DIFFRACTION (0.851 Å)
Cite:Synthesis, Thermodynamic Properties, and Crystal Structure of RNA Oligonucleotides Containing 5-Hydroxymethylcytosine.
J. Org. Chem., 82, 2017
5D9E
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CRYSTAL STRUCTURE OF THE PROLINE-RICH LASSO PEPTIDE CAULOSEGNIN II
Descriptor:Caulosegnin II, CHLORIDE ION
Authors:Fage, C.D., Hegemann, J.D., Harms, K., Marahiel, M.A.
Deposit date:2015-08-18
Release date:2016-02-17
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (0.859 Å)
Cite:The ring residue proline 8 is crucial for the thermal stability of the lasso peptide caulosegnin II.
Mol Biosyst, 12, 2016
5MNN
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CATIONIC TRYPSIN IN COMPLEX WITH N-AMIDINOPIPERIDINE (DEUTERATED SAMPLE AT 100 K)
Descriptor:Cationic trypsin, CALCIUM ION, piperidine-1-carboximidamide, ...
Authors:Schiebel, J., Heine, A., Klebe, G.
Deposit date:2016-12-13
Release date:2018-01-17
Last modified:2018-09-12
Method:X-RAY DIFFRACTION (0.859 Å)
Cite:Intriguing role of water in protein-ligand binding studied by neutron crystallography on trypsin complexes.
Nat Commun, 9, 2018
1ALZ
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GRAMICIDIN D FROM BACILLUS BREVIS (ETHANOL SOLVATE)
Descriptor:ILE-GRAMICIDIN C, VAL-GRAMICIDIN A, ETHANOL
Authors:Burkhart, B.M., Pangborn, W.A., Duax, W.L., Langs, D.A.
Deposit date:1997-06-06
Release date:1998-03-04
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (0.86 Å)
Cite:Heterodimer Formation and Crystal Nucleation of Gramicidin D
Biophys.J., 75, 1998
1G6X
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ULTRA HIGH RESOLUTION STRUCTURE OF BOVINE PANCREATIC TRYPSIN INHIBITOR (BPTI) MUTANT WITH ALTERED BINDING LOOP SEQUENCE
Descriptor:PANCREATIC TRYPSIN INHIBITOR, SULFATE ION, 1,2-ETHANEDIOL
Authors:Addlagatta, A., Czapinska, H., Krzywda, S., Otlewski, J., Jaskolski, M.
Deposit date:2000-11-08
Release date:2001-05-09
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (0.86 Å)
Cite:Ultrahigh-resolution structure of a BPTI mutant.
Acta Crystallogr.,Sect.D, 57, 2001