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PDB: 89169 results

5CI1
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BU of 5ci1 by Molmil
Ribonucleotide reductase Y122 2,3-F2Y variant
Descriptor: CHLORIDE ION, MU-OXO-DIIRON, Ribonucleoside-diphosphate reductase 1, ...
Authors:Funk, M.A, Drennan, C.L.
Deposit date:2015-07-10
Release date:2016-06-22
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Biophysical Characterization of Fluorotyrosine Probes Site-Specifically Incorporated into Enzymes: E. coli Ribonucleotide Reductase As an Example.
J.Am.Chem.Soc., 138, 2016
6V27
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BU of 6v27 by Molmil
Complex of double mutant (T89V,K162T) of E. coli L-asparaginase II with L-Asp
Descriptor: L-asparaginase 2
Authors:Lubkowski, J, Wlodawer, A.
Deposit date:2019-11-22
Release date:2020-05-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Mechanism of Catalysis by l-Asparaginase.
Biochemistry, 59, 2020
7K5R
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BU of 7k5r by Molmil
Bst DNA polymerase I time-resolved structure, 120 min post dATP addition
Descriptor: DNA (5'-D(P*GP*CP*GP*AP*TP*CP*AP*CP*GP*TP*A)-3'), DNA (5'-D(P*GP*TP*AP*CP*GP*TP*GP*AP*TP*CP*GP*CP*A)-3'), DNA polymerase I, ...
Authors:Chim, N, Meza, R.A, Trinh, A.M, Chaput, J.C.
Deposit date:2020-09-17
Release date:2021-03-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Following replicative DNA synthesis by time-resolved X-ray crystallography.
Nat Commun, 12, 2021
6V2C
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BU of 6v2c by Molmil
Complex of mutant (K162M) of E. coli L-asparaginase II with L-Asp. Covalent acyl-enzyme intermediate and tetrahedral intermediate
Descriptor: L-asparaginase 2
Authors:Lubkowski, J, Wlodawer, A.
Deposit date:2019-11-22
Release date:2020-05-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Mechanism of Catalysis by l-Asparaginase.
Biochemistry, 59, 2020
6EE5
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BU of 6ee5 by Molmil
Reactive centre loop dynamics and serpin specificity
Descriptor: Conserpin-AATRCL
Authors:Marijanovic, E.M, Porebski, B.T, McGowan, S, Buckle, A.M.
Deposit date:2018-08-13
Release date:2018-08-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Reactive centre loop dynamics and serpin specificity.
Sci Rep, 9, 2019
6MEZ
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BU of 6mez by Molmil
X-ray structure of the Fenna-Matthews-Olsen antenna complex from Prosthecochloris aestuarii
Descriptor: BACTERIOCHLOROPHYLL A, Bacteriochlorophyll a protein, SULFATE ION
Authors:Selvaraj, B, Lu, X, Cuneo, M.J, Myles, D.A.A.
Deposit date:2018-09-07
Release date:2019-03-13
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Neutron and X-ray analysis of the Fenna-Matthews-Olson photosynthetic antenna complex from Prosthecochloris aestuarii.
Acta Crystallogr F Struct Biol Commun, 75, 2019
7LAO
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BU of 7lao by Molmil
Crystal structure of aminoglycoside acetyltransferase AAC(3)-IIb
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Aminoglycoside N(3)-acetyltransferase III, MAGNESIUM ION
Authors:Stogios, P.J, Evdokimova, E, Osipiuk, J, Di Leo, R, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2021-01-06
Release date:2021-01-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Structural and molecular rationale for the diversification of resistance mediated by the Antibiotic_NAT family.
Commun Biol, 5, 2022
5UF6
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BU of 5uf6 by Molmil
The 2.8 A Electron Microscopy Structure of Adeno-Associated Virus-DJ Bound by a Heparanoid Pentasaccharide
Descriptor: 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-4)-2-deoxy-3,6-di-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-methyl 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranoside, capsid protein VP1
Authors:Xie, Q, Spear, J.M, Noble, A.J, Sousa, D.R, Meyer, N.L, Davulcu, O, Zhang, F, Linhardt, R.J, Stagg, S.M, Chapman, M.
Deposit date:2017-01-03
Release date:2017-05-24
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:The 2.8 angstrom Electron Microscopy Structure of Adeno-Associated Virus-DJ Bound by a Heparinoid Pentasaccharide.
Mol Ther Methods Clin Dev, 5, 2017
5UGC
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BU of 5ugc by Molmil
Crystal structure of the EGFR kinase domain (L858R, T790M, V948R) in complex with a covalent inhibitor N-[(3R,4R)-4-fluoro-1-{6-[(3-methoxy-1-methyl-1H-pyrazol-4-yl)amino]-9-methyl-9H-purin-2-yl}pyrrolidin-3-yl]propanamide
Descriptor: 1,2-ETHANEDIOL, Epidermal growth factor receptor, GLYCEROL, ...
Authors:Gajiwala, K.S, Ferre, R.A.
Deposit date:2017-01-08
Release date:2017-03-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Discovery of N-((3R,4R)-4-Fluoro-1-(6-((3-methoxy-1-methyl-1H-pyrazol-4-yl)amino)-9-methyl-9H-purin-2-yl)pyrrolidine-3-yl)acrylamide (PF-06747775) through Structure-Based Drug Design: A High Affinity Irreversible Inhibitor Targeting Oncogenic EGFR Mutants with Selectivity over Wild-Type EGFR.
J. Med. Chem., 60, 2017
6EI4
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BU of 6ei4 by Molmil
Crystal Structure of tyrosinase from Bacillus megaterium with B5N inhibitor in the active site
Descriptor: COPPER (II) ION, Tyrosinase, [4-[(4-fluorophenyl)methyl]piperazin-1-yl]-(2-methylphenyl)methanone
Authors:Deri, B, Gitto, R, Pazy Benhar, Y, Fishman, A.
Deposit date:2017-09-17
Release date:2018-04-25
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Targeting Tyrosinase: Development and Structural Insights of Novel Inhibitors Bearing Arylpiperidine and Arylpiperazine Fragments.
J. Med. Chem., 61, 2018
4Y9P
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BU of 4y9p by Molmil
PA3825-EAL Ca-CdG Structure
Descriptor: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), CALCIUM ION, PA3825-EAL
Authors:Bellini, D, Horrell, S, Wagner, A, Strange, R, Walsh, M.A.
Deposit date:2015-02-17
Release date:2016-03-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:MucR and PA3825 EAL-phosphodiesterase domains from Pseudomonas aeruginosa suggest roles for three metals in the active site
To Be Published
4UPF
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BU of 4upf by Molmil
Assembly principles of the unique cage formed by the ATPase RavA hexamer and the lysine decarboxylase LdcI decamer
Descriptor: ATPASE RAVA, LYSINE DECARBOXYLASE, INDUCIBLE
Authors:Malet, H, Liu, K, El Bakkouri, M, Chan, S.W.S, Effantin, G, Bacia, M, Houry, W.A, Gutsche, I.
Deposit date:2014-06-16
Release date:2014-08-20
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (7.5 Å)
Cite:Assembly Principles of a Unique Cage Formed by Hexameric and Decameric E. Coli Proteins.
Elife, 3, 2014
6EKP
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BU of 6ekp by Molmil
Tryptophan Repressor TrpR from E.coli variant T44L T81M S88Y with Indole-3-acetic acid as ligand
Descriptor: 1H-INDOL-3-YLACETIC ACID, 3,6,9,12,15-PENTAOXAHEPTADECANE, Trp operon repressor
Authors:Stiel, A.C, Shanmugaratnam, S, Herud-Sikimic, O, Juergens, G, Hocker, B.
Deposit date:2017-09-26
Release date:2019-01-30
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:A biosensor for the direct visualization of auxin
Nature, 2021
5CL5
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BU of 5cl5 by Molmil
Alkylpurine DNA glycosylase AlkD bound to DNA containing a 3-methyladenine analog or DNA containing an abasic site and a free nucleobase (51% substrate/49% product at 48 hours)
Descriptor: 7-methyl-3H-imidazo[4,5-c]pyridin-4-amine, AlkD, DNA (5'-D(*CP*CP*CP*GP*AP*(DZM)P*AP*GP*TP*CP*CP*G)-3'), ...
Authors:Mullins, E.A, Eichman, B.F.
Deposit date:2015-07-16
Release date:2015-10-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.569 Å)
Cite:The DNA glycosylase AlkD uses a non-base-flipping mechanism to excise bulky lesions.
Nature, 527, 2015
7NHW
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BU of 7nhw by Molmil
Crystal structure of a shortened IpgC variant in complex with chlorzoxazone
Descriptor: CHLORIDE ION, CHLORZOXAZONE, Chaperone protein IpgC, ...
Authors:Gardonyi, M, Heine, A, Klebe, G.
Deposit date:2021-02-11
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Crystal structure of a shortened IpgC variant in complex with chlorzoxazone
To be published
4YCK
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BU of 4yck by Molmil
Endothiapepsin in complex with fragment 211
Descriptor: ACETATE ION, DIMETHYL SULFOXIDE, Endothiapepsin, ...
Authors:Stieler, M, Heine, A, Klebe, G.
Deposit date:2015-02-20
Release date:2016-03-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.07 Å)
Cite:Crystallographic Fragment Screening of an Entire Library
To Be Published
7NL8
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BU of 7nl8 by Molmil
Crystal structure of a shortened IpgC variant in complex with 3-methylbenzohydrazide
Descriptor: 3-methylbenzohydrazide, CHLORIDE ION, Chaperone protein IpgC, ...
Authors:Gardonyi, M, Heine, A, Klebe, G.
Deposit date:2021-02-22
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Crystal structure of a shortened IpgC variant in complex with 3-methylbenzohydrazide
To be published
4YF6
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BU of 4yf6 by Molmil
Crystal structure of oxidised Rv1284
Descriptor: Beta-carbonic anhydrase 1, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Hofmann, A.
Deposit date:2015-02-25
Release date:2015-05-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.002 Å)
Cite:Chemical probing suggests redox-regulation of the carbonic anhydrase activity of mycobacterial Rv1284.
Febs J., 282, 2015
6VCM
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BU of 6vcm by Molmil
Crystal structure of E.coli RppH-DapF in complex with GTP, Mg2+ and F-
Descriptor: CHLORIDE ION, Diaminopimelate epimerase, FLUORIDE ION, ...
Authors:Gao, A, Vasilyev, N, Kaushik, A, Duan, W, Serganov, A.
Deposit date:2019-12-21
Release date:2020-02-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Principles of RNA and nucleotide discrimination by the RNA processing enzyme RppH.
Nucleic Acids Res., 48, 2020
1J5A
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BU of 1j5a by Molmil
STRUCTURAL BASIS FOR THE INTERACTION OF ANTIBIOTICS WITH THE PEPTIDYL TRANSFERASE CENTER IN EUBACTERIA
Descriptor: 23S RRNA, CLARITHROMYCIN, MAGNESIUM ION, ...
Authors:Schluenzen, F, Zarivach, R, Harms, J, Bashan, A, Tocilj, A, Albrecht, R, Yonath, A, Franceschi, F.
Deposit date:2002-03-06
Release date:2002-03-08
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structural basis for the interaction of antibiotics with the peptidyl transferase centre in eubacteria.
Nature, 413, 2001
6EKK
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BU of 6ekk by Molmil
Crystal structure of GEF domain of DENND 1A in complex with Rab GTPase Rab35-GDP bound state.
Descriptor: 1,2-ETHANEDIOL, DENN domain-containing protein 1A, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Srikannathasan, V, Szykowska, A, Tallant, C, Strain-Damerell, C, Kopec, J, Kupinska, K, Mukhopadhyay, S, Gavin, M, Wang, D, Chalk, R, Burgess-Brown, N.A, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Huber, K.
Deposit date:2017-09-26
Release date:2018-10-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Crystal structure of DENND1A-RAB35 complex with GDP bound state.
To be published
4FAU
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BU of 4fau by Molmil
Structure of Oceanobacillus iheyensis group II intron in the presence of Li+, Mg2+ and 5'-exon
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Group IIC intron, MAGNESIUM ION, ...
Authors:Marcia, M, Pyle, A.M.
Deposit date:2012-05-22
Release date:2012-11-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.87 Å)
Cite:Visualizing Group II Intron Catalysis through the Stages of Splicing.
Cell(Cambridge,Mass.), 151, 2012
7K0A
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BU of 7k0a by Molmil
Puromycin N-acetyltransferase in complex with acetylated puromycin and CoA
Descriptor: 1,2-ETHANEDIOL, COENZYME A, DI(HYDROXYETHYL)ETHER, ...
Authors:Peat, T.S, Caputo, A.T, Newman, J, Adams, T.E.
Deposit date:2020-09-03
Release date:2021-03-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-guided selection of puromycin N-acetyltransferase mutants with enhanced selection stringency for deriving mammalian cell lines expressing recombinant proteins.
Sci Rep, 11, 2021
6V6W
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BU of 6v6w by Molmil
Crystal structure of antibody 438-B11 DSS mutant (Cys98A-100aA) in complex with an uncleaved prefusion optimized (UFO) soluble BG505 trimer and Fab 35O22
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 35O22 Fab Heavy chain, ...
Authors:Kumar, S, Wilson, I.A.
Deposit date:2019-12-06
Release date:2020-09-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (6.5 Å)
Cite:A VH1-69 antibody lineage from an infected Chinese donor potently neutralizes HIV-1 by targeting the V3 glycan supersite
Sci Adv, 6, 2020
5CDX
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BU of 5cdx by Molmil
Crystal structure of conserpin
Descriptor: Conserpin
Authors:Porebski, B.T, Borg, N.A, McGowan, S, Buckle, A.M.
Deposit date:2015-07-06
Release date:2016-07-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Smoothing a rugged protein folding landscape by sequence-based redesign.
Sci Rep, 6, 2016

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