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2ZBG
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BU of 2zbg by Molmil
Calcium pump crystal structure with bound AlF4 and TG in the absence of calcium
Descriptor: MAGNESIUM ION, OCTANOIC ACID [3S-[3ALPHA, 3ABETA, ...
Authors:Toyoshima, C, Ogawa, H, Norimatsu, Y.
Deposit date:2007-10-20
Release date:2007-12-11
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:How processing of aspartylphosphate is coupled to lumenal gating of the ion pathway in the calcium pump
Proc.Natl.Acad.Sci.Usa, 104, 2007
3V7Y
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BU of 3v7y by Molmil
Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with 5'-N-Propargylamino-5'-deoxyadenosine
Descriptor: 5'-deoxy-5'-(prop-2-yn-1-ylamino)adenosine, CITRIC ACID, Probable inorganic polyphosphate/ATP-NAD kinase 1
Authors:Gelin, M, Poncet-Montange, G, Assairi, L, Morellato, L, Huteau, V, Dugu, L, Dussurget, O, Pochet, S, Labesse, G.
Deposit date:2011-12-22
Release date:2012-03-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Screening and In Situ Synthesis Using Crystals of a NAD Kinase Lead to a Potent Antistaphylococcal Compound.
Structure, 20, 2012
2FNJ
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BU of 2fnj by Molmil
Crystal structure of a B30.2/SPRY domain-containing protein GUSTAVUS in complex with Elongin B and Elongin C
Descriptor: CG2944-PF, isoform F, Transcription elongation factor B polypeptide 1, ...
Authors:Woo, J.S, Oh, B.H.
Deposit date:2006-01-11
Release date:2006-03-21
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and functional insights into the B30.2/SPRY domain
Embo J., 25, 2006
5NC9
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BU of 5nc9 by Molmil
Crystal structure of the polysaccharide deacetylase Bc1974 from Bacillus cereus in complex with (2S)-2,6-diamino-N-hydroxyhexanamide
Descriptor: (2~{S})-2,6-bis(azanyl)-~{N}-oxidanyl-hexanamide, 1,2-ETHANEDIOL, CITRIC ACID, ...
Authors:Giastas, P, Andreou, A, Eliopoulos, E.E.
Deposit date:2017-03-03
Release date:2018-02-21
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Structures of the Peptidoglycan N-Acetylglucosamine Deacetylase Bc1974 and Its Complexes with Zinc Metalloenzyme Inhibitors.
Biochemistry, 57, 2018
4DPG
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BU of 4dpg by Molmil
Crystal Structure of Human LysRS: P38/AIMP2 Complex I
Descriptor: ALANINE, Aminoacyl tRNA synthase complex-interacting multifunctional protein 2, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, ...
Authors:Fang, P, Wang, J, Bennett, S.P, Guo, M.
Deposit date:2012-02-13
Release date:2013-02-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.844 Å)
Cite:Structural Switch of Lysyl-tRNA Synthetase between Translation and Transcription.
Mol.Cell, 49, 2013
1I4Y
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BU of 1i4y by Molmil
THE CRYSTAL STRUCTURE OF PHASCOLOPSIS GOULDII WILD TYPE METHEMERYTHRIN
Descriptor: CHLORIDE ION, METHEMERYTHRIN, MU-OXO-DIIRON
Authors:Farmer, C.S, Kurtz Jr, D.M, Liu, Z.-J, Wang, B.C, Rose, J.
Deposit date:2001-02-23
Release date:2001-03-21
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The crystal structures of Phascolopsis gouldii wild type and L98Y methemerythrins: structural and functional alterations of the O2 binding pocket.
J.Biol.Inorg.Chem., 6, 2001
1Q62
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BU of 1q62 by Molmil
PKA double mutant model of PKB
Descriptor: cAMP-dependent protein kinase inhibitor, alpha form, cAMP-dependent protein kinase, ...
Authors:Gassel, M, Breitenlechner, C.B, Rueger, P, Jucknischke, U, Schneider, T, Huber, R, Bossemeyer, D, Engh, R.A.
Deposit date:2003-08-12
Release date:2003-09-30
Last modified:2021-10-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Mutants of protein kinase A that mimic the ATP-binding site of protein kinase B (AKT)
J.Mol.Biol., 329, 2003
5UR5
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BU of 5ur5 by Molmil
PYR1 bound to the rationally designed agonist 4m
Descriptor: Abscisic acid receptor PYR1, GLYCEROL, N-(4-cyano-3-ethyl-5-methylphenyl)-1-(4-methylphenyl)methanesulfonamide, ...
Authors:Peterson, F.C, Vaidya, A, Jensen, D.R, Volkman, B.F, Cutler, S.R.
Deposit date:2017-02-09
Release date:2017-11-29
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:A Rationally Designed Agonist Defines Subfamily IIIA Abscisic Acid Receptors As Critical Targets for Manipulating Transpiration.
ACS Chem. Biol., 12, 2017
3HCB
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BU of 3hcb by Molmil
Crystal Structure of hPNMT in Complex With Noradrenochrome and AdoHcy
Descriptor: (3S)-3-hydroxy-2,3-dihydro-1H-indole-5,6-dione, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Drinkwater, N, Martin, J.L, Gee, C.L.
Deposit date:2009-05-06
Release date:2009-08-25
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Molecular recognition of physiological substrate noradrenaline by the adrenaline-synthesizing enzyme PNMT and factors influencing its methyltransferase activity.
Biochem.J., 422, 2009
5NCD
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BU of 5ncd by Molmil
Crystal structure of the polysaccharide deacetylase Bc1974 from Bacillus cereus in complex with (2S)-2-amino-5-(diaminomethylideneamino)-N-hydroxypentanamide
Descriptor: ACETATE ION, CITRIC ACID, N-HYDROXY-L-ARGININAMIDE, ...
Authors:Giastas, P, Andreou, A, Eliopoulos, E.E.
Deposit date:2017-03-03
Release date:2018-02-21
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.447 Å)
Cite:Structures of the Peptidoglycan N-Acetylglucosamine Deacetylase Bc1974 and Its Complexes with Zinc Metalloenzyme Inhibitors.
Biochemistry, 57, 2018
8BSA
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BU of 8bsa by Molmil
Vc1313-LBD bound to D-arginine
Descriptor: D-ARGININE, Methyl-accepting chemotaxis protein
Authors:ter Beek, J, Berntsson, R.P.-A.
Deposit date:2022-11-24
Release date:2023-06-07
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:D-amino acids signal a stress-dependent run-away response in Vibrio cholerae.
Nat Microbiol, 8, 2023
4YE8
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BU of 4ye8 by Molmil
The crystal structure of the Y57H mutant of human GlnRS
Descriptor: Glutamine--tRNA ligase
Authors:Ognjenovic, J, Wu, J, Ling, J, Simonovic, M.
Deposit date:2015-02-23
Release date:2016-02-17
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:The crystal structure of human GlnRS provides basis for the development of neurological disorders.
Nucleic Acids Res., 44, 2016
8BSB
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BU of 8bsb by Molmil
Vc1313-LBD bound to D-lysine
Descriptor: D-LYSINE, Methyl-accepting chemotaxis protein
Authors:ter Beek, J, Berntsson, R.P.-A.
Deposit date:2022-11-24
Release date:2023-06-07
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:D-amino acids signal a stress-dependent run-away response in Vibrio cholerae.
Nat Microbiol, 8, 2023
6IJV
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BU of 6ijv by Molmil
Solution NMR structure of a 14-mer dsDNA complexed with a novel NIR fluorescent probe QCy-DT
Descriptor: 2,2'-{(4-hydroxy-1,3-phenylene)di[(E)ethene-2,1-diyl]}bis(3-methyl-1,3-benzothiazol-3-ium), DNA (5'-D(*CP*GP*CP*GP*AP*AP*AP*TP*TP*TP*CP*GP*CP*G)-3')
Authors:Basu, G, Ganguly, S.
Deposit date:2018-10-12
Release date:2019-03-06
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:DNA Minor Groove-Induced cis - trans Isomerization of a Near-Infrared Fluorescent Probe.
Biochemistry, 2021
6IJW
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BU of 6ijw by Molmil
SOLUTION NMR STRUCTURE OF A DODECAMERIC dsDNA COMPLEXED WITH A NIR FLUORESCENT PROBE QCy-DT
Descriptor: 2,2'-{(4-hydroxy-1,3-phenylene)di[(E)ethene-2,1-diyl]}bis(3-methyl-1,3-benzothiazol-3-ium), DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3')
Authors:Ganguly, S, Basu, G.
Deposit date:2018-10-12
Release date:2019-03-13
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:DNA Minor Groove-Induced cis - trans Isomerization of a Near-Infrared Fluorescent Probe.
Biochemistry, 2021
8S96
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BU of 8s96 by Molmil
RNase A-Adenosine 5'-Heptaphosphate (RNaseA.p7A)
Descriptor: Ribonuclease pancreatic, adenosine 5'-heptaphosphate
Authors:Park, G, Cummins, C.
Deposit date:2023-03-27
Release date:2024-04-03
Last modified:2024-08-07
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Pentaphosphorylation via the Anhydride of Dihydrogen Pentametaphosphate: Access to Nucleoside Hexa- and Heptaphosphates and Study of Their Interaction with Ribonuclease A.
Acs Cent.Sci., 10, 2024
4PG3
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BU of 4pg3 by Molmil
Crystal structure of KRS complexed with inhibitor
Descriptor: LYSINE, Lysine--tRNA ligase, cladosporin
Authors:Sharma, A, Yogavel, M, Khan, S, Sharma, A, Belrhali, H.
Deposit date:2014-05-01
Release date:2014-07-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.696 Å)
Cite:Structural basis of malaria parasite lysyl-tRNA synthetase inhibition by cladosporin.
J. Struct. Funct. Genomics, 15, 2014
4P61
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BU of 4p61 by Molmil
CHICKEN TRIOSEPHOSPHATE ISOMERASE WITH LOOP6 MUTATIONS, V167P AND W168E.
Descriptor: Triosephosphate isomerase
Authors:Pegan, S.D, Mesecar, A.D.
Deposit date:2014-03-21
Release date:2014-08-27
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Enzyme architecture: the effect of replacement and deletion mutations of loop 6 on catalysis by triosephosphate isomerase.
Biochemistry, 53, 2014
6XUT
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BU of 6xut by Molmil
Crystallographic structure of oligosaccharide dehydrogenase from Pycnoporus cinnabarinus, ligand-free form
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Cerutti, G, Savino, C, Montemiglio, L.C, Sciara, G, Vallone, B.
Deposit date:2020-01-21
Release date:2021-02-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure and functional characterization of an oligosaccharide dehydrogenase from Pycnoporus cinnabarinus provides insights into fungal breakdown of lignocellulose.
Biotechnol Biofuels, 14, 2021
1RX5
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BU of 1rx5 by Molmil
DIHYDROFOLATE REDUCTASE (E.C.1.5.1.3) COMPLEXED WITH 5,10-DIDEAZATETRAHYDROFOLATE
Descriptor: 5,10-DIDEAZATETRAHYDROFOLIC ACID, DIHYDROFOLATE REDUCTASE
Authors:Sawaya, M.R.
Deposit date:1996-09-19
Release date:1997-01-11
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Loop and subdomain movements in the mechanism of Escherichia coli dihydrofolate reductase: crystallographic evidence.
Biochemistry, 36, 1997
1RX9
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BU of 1rx9 by Molmil
DIHYDROFOLATE REDUCTASE (E.C.1.5.1.3) COMPLEXED WITH NICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE (OXIDIZED FORM)
Descriptor: BETA-MERCAPTOETHANOL, CALCIUM ION, DIHYDROFOLATE REDUCTASE, ...
Authors:Sawaya, M.R, Kraut, J.
Deposit date:1996-10-25
Release date:1997-04-01
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Loop and subdomain movements in the mechanism of Escherichia coli dihydrofolate reductase: crystallographic evidence.
Biochemistry, 36, 1997
1M8R
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BU of 1m8r by Molmil
Crystal Structures of Cadmium-binding Acidic Phospholipase A2 from the Venom of Agkistrodon halys pallas at 1.9 Resolution (crystal grown at pH 7.4)
Descriptor: 1,4-BUTANEDIOL, CADMIUM ION, phospholipase A2
Authors:Xu, S, Gu, L, Zhou, Y, Lin, Z.
Deposit date:2002-07-25
Release date:2003-02-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structures of cadmium-binding acidic phospholipase A(2) from the venom of Agkistrodon halys Pallas at 1.9A resolutio
Biochem.Biophys.Res.Commun., 300, 2003
7SE6
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BU of 7se6 by Molmil
Crystal structure of human Fibrillarin in ligand-free state
Descriptor: FORMIC ACID, rRNA 2'-O-methyltransferase fibrillarin
Authors:Shi, Y, El-Deeb, I.M, Masic, V, Hartley-Tassell, L, Maggioni, A, von Itzstein, M, Ve, T.
Deposit date:2021-09-30
Release date:2022-02-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Discovery of Cofactor Competitive Inhibitors against the Human Methyltransferase Fibrillarin.
Pharmaceuticals, 15, 2021
4DHZ
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BU of 4dhz by Molmil
The structure of h/ceOTUB1-ubiquitin aldehyde-UBC13~Ub
Descriptor: Ubiquitin, Ubiquitin aldehyde, Ubiquitin thioesterase otubain-like, ...
Authors:Wiener, R, Zhang, X, Wang, T, Wolberger, C.
Deposit date:2012-01-30
Release date:2012-02-22
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (3.11 Å)
Cite:The mechanism of OTUB1-mediated inhibition of ubiquitination.
Nature, 483, 2012
6M0T
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BU of 6m0t by Molmil
Crystal Structure of Lysyl-tRNA Synthetase from Plasmodium falciparum complexed with L-lysine and Cladosporin derivative (CL-2)
Descriptor: (3R)-3-[(R)-[(2R,6S)-6-methyloxan-2-yl]-oxidanyl-methyl]-6,8-bis(oxidanyl)-3,4-dihydroisochromen-1-one, LYSINE, Lysine--tRNA ligase
Authors:Babbar, P, Sharma, A, Manickam, Y.
Deposit date:2020-02-22
Release date:2021-04-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Design, Synthesis, and Structural Analysis of Cladosporin-Based Inhibitors of Malaria Parasites.
Acs Infect Dis., 7, 2021

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