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PDB: 89346 results

4YCB
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BU of 4ycb by Molmil
Structure of a single tryptophan mutant of Acetobacter aceti PurE
Descriptor: 1,2-ETHANEDIOL, 2,5,8,11-TETRAOXATRIDECANE, ACETATE ION, ...
Authors:Kappock, T.J, Sullivan, K.L, Mullins, E.A.
Deposit date:2015-02-19
Release date:2016-02-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Structure of a single tryptophan mutant of Acetobacter aceti PurE
To Be Published
5N07
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BU of 5n07 by Molmil
Structure of the [4Fe-4S] form of the NO response regulator NsrR
Descriptor: CHLORIDE ION, HTH-type transcriptional repressor NsrR, IRON/SULFUR CLUSTER, ...
Authors:Volbeda, A, Fontecilla-Camps, J.C.
Deposit date:2017-02-02
Release date:2017-04-26
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structures of the NO sensor NsrR reveal how its iron-sulfur cluster modulates DNA binding.
Nat Commun, 8, 2017
3MOE
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BU of 3moe by Molmil
The structure of rat cytosolic PEPCK mutant A467G in complex with Beta-Sulfopyruvate and GTP
Descriptor: 1,2-ETHANEDIOL, GUANOSINE-5'-TRIPHOSPHATE, MANGANESE (II) ION, ...
Authors:Johnson, T.A, Holyoak, T.
Deposit date:2010-04-22
Release date:2010-06-02
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Increasing the conformational entropy of the Omega-loop lid domain in phosphoenolpyruvate carboxykinase impairs catalysis and decreases catalytic fidelity .
Biochemistry, 49, 2010
4YCP
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BU of 4ycp by Molmil
E. coli dihydrouridine synthase C (DusC) in complex with tRNATrp
Descriptor: FLAVIN MONONUCLEOTIDE, MAGNESIUM ION, SULFATE ION, ...
Authors:Byrne, R.T, Jenkins, H.T, Peters, D.T, Whelan, F, Stowell, J, Aziz, N, Kasatsky, P, Rodnina, M.V, Koonin, E.V, Konevega, A.L, Antson, A.A.
Deposit date:2015-02-20
Release date:2015-04-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Major reorientation of tRNA substrates defines specificity of dihydrouridine synthases.
Proc.Natl.Acad.Sci.USA, 112, 2015
4RIF
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BU of 4rif by Molmil
Landomycin Glycosyltransferase LanGT2, carbasugar substrate complex
Descriptor: 2'-deoxy-5'-O-[(R)-{[(R)-{[(1S,3R,4R,5S)-3,4-dihydroxy-5-methylcyclohexyl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-3,4-dihydrothymidine, Glycosyl transferase homolog
Authors:Tam, H.K, Gerhardt, S, Breit, B, Bechthold, A, Einsle, O.
Deposit date:2014-10-06
Release date:2015-01-28
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural Characterization of O- and C-Glycosylating Variants of the Landomycin Glycosyltransferase LanGT2.
Angew.Chem.Int.Ed.Engl., 54, 2015
1BF3
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BU of 1bf3 by Molmil
P-HYDROXYBENZOATE HYDROXYLASE (PHBH) MUTANT WITH CYS 116 REPLACED BY SER (C116S) AND ARG 42 REPLACED BY LYS (R42K), IN COMPLEX WITH FAD AND 4-HYDROXYBENZOIC ACID
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, P-HYDROXYBENZOATE HYDROXYLASE, P-HYDROXYBENZOIC ACID
Authors:Eppink, M.H.M, Schreuder, H.A, Van Berkel, W.J.H.
Deposit date:1998-05-26
Release date:1998-08-12
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Lys42 and Ser42 variants of p-hydroxybenzoate hydroxylase from Pseudomonas fluorescens reveal that Arg42 is essential for NADPH binding.
Eur.J.Biochem., 253, 1998
7UNH
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BU of 7unh by Molmil
De novo designed chlorophyll dimer protein in apo state, SP2
Descriptor: 1,2-ETHANEDIOL, SP2 designed chlorophyll dimer protein
Authors:Kennedy, M.A, Stoddard, B.L, Ennist, N.M.
Deposit date:2022-04-11
Release date:2023-04-19
Last modified:2024-06-12
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:De novo design of proteins housing excitonically coupled chlorophyll special pairs.
Nat.Chem.Biol., 2024
1BES
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BU of 1bes by Molmil
INTERACTION BETWEEN PROXIMAL AND DISTALS REGIONS OF CYTOCHROME C PEROXIDASE
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, CYTOCHROME C PEROXIDASE, ...
Authors:Miller, M.A, Kraut, J.
Deposit date:1998-05-16
Release date:1998-10-21
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Interaction between Proximal and Distals Regions of Cytochrome C Peroxidase
To be Published
7PEF
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BU of 7pef by Molmil
Crystal structure of IpgC in complex with DMSO
Descriptor: CHLORIDE ION, Chaperone protein IpgC, DIMETHYL SULFOXIDE, ...
Authors:Gardonyi, M, Heine, A, Klebe, G.
Deposit date:2021-08-10
Release date:2022-08-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Crystal structure of IpgC in complex with DMSO
To be published
4RIG
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BU of 4rig by Molmil
Chimeric Glycosyltransferase LanGT2S8Ac
Descriptor: Glycosyl transferase, MAGNESIUM ION
Authors:Tam, H.K, Gerhardt, S, Breit, B, Bechthold, A, Einsle, O.
Deposit date:2014-10-06
Release date:2015-01-28
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Characterization of O- and C-Glycosylating Variants of the Landomycin Glycosyltransferase LanGT2.
Angew.Chem.Int.Ed.Engl., 54, 2015
1BH4
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BU of 1bh4 by Molmil
CIRCULIN A FROM CHASSALIA PARVIFLORA, NMR, 12 STRUCTURES
Descriptor: CIRCULIN A
Authors:Daly, N.L, Koltay, A, Craik, D.J.
Deposit date:1998-06-12
Release date:1999-06-15
Last modified:2020-08-12
Method:SOLUTION NMR
Cite:Solution structure by NMR of circulin A: a macrocyclic knotted peptide having anti-HIV activity.
J.Mol.Biol., 285, 1999
4RIH
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BU of 4rih by Molmil
Chimeric Glycosyltransferase LanGT2S8Ac, carbasugar substrate complex
Descriptor: 2'-deoxy-5'-O-[(R)-{[(R)-{[(1S,3R,4R,5S)-3,4-dihydroxy-5-methylcyclohexyl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-3,4-dihydrothymidine, Glycosyl transferase homolog,Glycosyl transferase, MAGNESIUM ION
Authors:Tam, H.K, Gerhardt, S, Breit, B, Bechthold, A, Einsle, O.
Deposit date:2014-10-06
Release date:2015-01-28
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Structural Characterization of O- and C-Glycosylating Variants of the Landomycin Glycosyltransferase LanGT2.
Angew.Chem.Int.Ed.Engl., 54, 2015
6B44
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BU of 6b44 by Molmil
Cryo-EM structure of Type I-F CRISPR crRNA-guided Csy surveillance complex with bound target dsDNA
Descriptor: CRISPR-associated endonuclease Cas6/Csy4, CRISPR-associated protein Csy1, CRISPR-associated protein Csy2, ...
Authors:Guo, T.W, Bartesaghi, A, Yang, H, Falconieri, V, Rao, P, Merk, A, Fox, T, Earl, L, Patel, D.J, Subramaniam, S.
Deposit date:2017-09-25
Release date:2017-10-18
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Cryo-EM Structures Reveal Mechanism and Inhibition of DNA Targeting by a CRISPR-Cas Surveillance Complex.
Cell, 171, 2017
4RII
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BU of 4rii by Molmil
Chimeric Glycosyltransferase LanGT2S8Ac, TDP complex
Descriptor: Glycosyl transferase homolog,Glycosyl transferase, MAGNESIUM ION, THYMIDINE-5'-DIPHOSPHATE
Authors:Tam, H.K, Gerhardt, S, Breit, B, Bechthold, A, Einsle, O.
Deposit date:2014-10-06
Release date:2015-01-28
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Characterization of O- and C-Glycosylating Variants of the Landomycin Glycosyltransferase LanGT2.
Angew.Chem.Int.Ed.Engl., 54, 2015
5N08
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BU of 5n08 by Molmil
Structure of the apo form of the NO response regulator NsrR
Descriptor: HTH-type transcriptional repressor NsrR
Authors:Volbeda, A, Fontecilla-Camps, J.C.
Deposit date:2017-02-02
Release date:2017-04-26
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (3.90095472 Å)
Cite:Crystal structures of the NO sensor NsrR reveal how its iron-sulfur cluster modulates DNA binding.
Nat Commun, 8, 2017
6PSN
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BU of 6psn by Molmil
Anthrax toxin protective antigen channels bound to lethal factor
Descriptor: CALCIUM ION, Lethal factor, Protective antigen
Authors:Hardenbrook, N.J, Liu, S, Zhou, K, Zhou, Z.H, Krantz, B.A.
Deposit date:2019-07-12
Release date:2020-03-04
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (4.6 Å)
Cite:Atomic structures of anthrax toxin protective antigen channels bound to partially unfolded lethal and edema factors.
Nat Commun, 11, 2020
7UNI
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BU of 7uni by Molmil
De novo designed chlorophyll dimer protein with Zn pheophorbide a methyl ester, SP2-ZnPPaM
Descriptor: 1,2-ETHANEDIOL, PHOSPHATE ION, SP2-ZnPPaM designed chlorophyll dimer protein, ...
Authors:Kennedy, M.A, Stoddard, B.L, Ennist, N.M.
Deposit date:2022-04-11
Release date:2023-04-19
Last modified:2024-06-12
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:De novo design of proteins housing excitonically coupled chlorophyll special pairs.
Nat.Chem.Biol., 2024
6F3S
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BU of 6f3s by Molmil
The crystal structure of Glycogen Phosphorylase in complex with 10d
Descriptor: (2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-[5-(4-phenylphenyl)-4~{H}-1,2,4-triazol-3-yl]oxane-3,4,5-triol, Glycogen phosphorylase, muscle form, ...
Authors:Kyriakis, E, Stamati, E.C.V, Stravodimos, G.A, Skamnaki, V.T, Leonidas, D.D.
Deposit date:2017-11-28
Release date:2018-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A multidisciplinary study of 3-( beta-d-glucopyranosyl)-5-substituted-1,2,4-triazole derivatives as glycogen phosphorylase inhibitors: Computation, synthesis, crystallography and kinetics reveal new potent inhibitors.
Eur J Med Chem, 147, 2018
8RLL
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BU of 8rll by Molmil
Structure of the apo form of PIB-1 in an Orthorombic space group
Descriptor: Class C beta-lactamase-related serine hydrolase
Authors:Medrano, F.J, Romero, A.
Deposit date:2024-01-03
Release date:2024-08-14
Last modified:2024-09-18
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:A new type of Class C beta-lactamases defined by PIB-1. A metal-dependent carbapenem-hydrolyzing beta-lactamase, from Pseudomonas aeruginosa: Structural and functional analysis.
Int.J.Biol.Macromol., 277, 2024
6F3R
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BU of 6f3r by Molmil
The crystal structure of Glycogen Phosphorylase in complex with 10c
Descriptor: (2~{S},3~{R},4~{R},5~{S},6~{R})-2-[5-(9~{H}-fluoren-2-yl)-4~{H}-1,2,4-triazol-3-yl]-6-(hydroxymethyl)oxane-3,4,5-triol, Glycogen phosphorylase, muscle form, ...
Authors:Kyriakis, E, Barkas, T.A, Stravodimos, G.A, Skamnaki, V.T, Leonidas, D.D.
Deposit date:2017-11-28
Release date:2018-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A multidisciplinary study of 3-( beta-d-glucopyranosyl)-5-substituted-1,2,4-triazole derivatives as glycogen phosphorylase inhibitors: Computation, synthesis, crystallography and kinetics reveal new potent inhibitors.
Eur J Med Chem, 147, 2018
6W3N
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BU of 6w3n by Molmil
APE1 exonuclease substrate complex D148E
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*(C7R))-3'), ...
Authors:Freudenthal, B.D, Whitaker, A.M.
Deposit date:2020-03-09
Release date:2020-06-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Molecular and structural characterization of disease-associated APE1 polymorphisms.
DNA Repair (Amst.), 91-92, 2020
3M1K
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BU of 3m1k by Molmil
Carbonic Anhydrase in complex with fragment
Descriptor: (4-CARBOXYPHENYL)(CHLORO)MERCURY, 1-hydroxy-2-sulfanylpyridinium, Carbonic anhydrase 2, ...
Authors:Schulze Wischeler, J, Heine, A, Klebe, G.
Deposit date:2010-03-05
Release date:2010-11-17
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Bidentate Zinc chelators for alpha-carbonic anhydrases that produce a trigonal bipyramidal coordination geometry.
Chemmedchem, 5, 2010
6W3W
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BU of 6w3w by Molmil
An enumerative algorithm for de novo design of proteins with diverse pocket structures
Descriptor: DENOVO NTF2, NITRATE ION
Authors:Bera, A.K, Basanta, B, Dimaio, F, Sankaran, B, Baker, D.
Deposit date:2020-03-09
Release date:2020-04-08
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:An enumerative algorithm for de novo design of proteins with diverse pocket structures.
Proc.Natl.Acad.Sci.USA, 117, 2020
8RYI
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BU of 8ryi by Molmil
Metformin hydrolase from Aminobacter niigataensis MD1 with urea in the active site
Descriptor: Agmatinase family protein, Arginase family protein, CALCIUM ION, ...
Authors:Fleming, J.R, Lutz, H, Bachmann, A, Mayans, O.
Deposit date:2024-02-08
Release date:2024-08-28
Last modified:2024-10-02
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Metformin hydrolase is a recently evolved nickel-dependent heteromeric ureohydrolase.
Nat Commun, 15, 2024
4RGR
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BU of 4rgr by Molmil
Crystal Structure of Putative MarR Family Transcriptional Regulator HcaR from Acinetobacter sp. ADP
Descriptor: 4'-HYDROXYCINNAMIC ACID, GLYCEROL, Repressor protein, ...
Authors:Kim, Y, Joachimiak, G, Bigelow, L, Cobb, G, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2014-09-30
Release date:2015-03-04
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.302 Å)
Cite:Crystal Structure of Putative MarR Family Transcriptional Regulator HcaR from Acinetobacter sp. ADP
To be Published, 2014

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