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2PVP
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BU of 2pvp by Molmil
Crystal structure of D-Alanine-D-Alanine Ligase from Helicobacter pylori
Descriptor: D-alanine-D-alanine ligase
Authors:Wu, D, Zhang, L, Jiang, H, Shen, X.
Deposit date:2007-05-10
Release date:2008-04-01
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Enzymatic characterization and crystal structure analysis of the D-alanine-D-alanine ligase from Helicobacter pylori.
Proteins, 72, 2008
6FN5
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BU of 6fn5 by Molmil
Crystal structure of ERK2 in complex with an adenosine derivative
Descriptor: DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, SULFATE ION, ...
Authors:Gelin, M, Labesse, G.
Deposit date:2018-02-02
Release date:2019-03-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.932 Å)
Cite:None
To be published
6PC3
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BU of 6pc3 by Molmil
Crystal structure of Helicobacter pylori PPX/GppA in complex with GSP
Descriptor: 1,2-ETHANEDIOL, 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, CHLORIDE ION, ...
Authors:Song, H, Wang, C, Shaw, G.X, Ji, X.
Deposit date:2019-06-15
Release date:2019-11-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure and activity of PPX/GppA homologs from Escherichia coli and Helicobacter pylori.
Febs J., 287, 2020
4I0T
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BU of 4i0t by Molmil
Crystal structure of spleen tyrosine kinase complexed with 2-(5,6,7,8-Tetrahydro-imidazo[1,5-a]pyridin-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid tert-butylamide
Descriptor: N-tert-butyl-2-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide, Tyrosine-protein kinase SYK
Authors:Kuglstatter, A, Slade, M.
Deposit date:2012-11-19
Release date:2013-10-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Pyrrolopyrazines as selective spleen tyrosine kinase inhibitors.
J.Med.Chem., 56, 2013
2QKW
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BU of 2qkw by Molmil
Structural basis for activation of plant immunity by bacterial effector protein AvrPto
Descriptor: Avirulence protein, Protein kinase
Authors:Xing, W.M, Zou, Y, Liu, Q, Hao, Q, Zhou, J.M, Chai, J.J.
Deposit date:2007-07-11
Release date:2007-08-21
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:The structural basis for activation of plant immunity by bacterial effector protein AvrPto
Nature, 449, 2007
6PC2
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BU of 6pc2 by Molmil
Crystal structure of Helicobacter pylori PPX/GppA in complex with GNP
Descriptor: Guanosine pentaphosphate phosphohydrolase, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Song, H, Wang, C, Shaw, G.X, Ji, X.
Deposit date:2019-06-15
Release date:2019-11-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure and activity of PPX/GppA homologs from Escherichia coli and Helicobacter pylori.
Febs J., 287, 2020
5GIX
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BU of 5gix by Molmil
Human serum albumin-Palmitic acid-Fe(Hn3piT)Cl2
Descriptor: 14-piperidin-1-yl-11-oxa-13$l^{3}-thia-15,16$l^{4}-diaza-12$l^{3}-ferratetracyclo[8.7.0.0^{2,7}.0^{12,16}]heptadeca-1(10),2(7),3,5,8,13,16-heptaene, PALMITIC ACID, Serum albumin
Authors:Yang, F, Qi, J, Wang, T.
Deposit date:2016-06-25
Release date:2017-07-19
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.801 Å)
Cite:Developing Anticancer Ferric Prodrugs Based on the N-Donor Residues of Human Serum Albumin Carrier IIA Subdomain
J. Med. Chem., 59, 2016
4IO0
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BU of 4io0 by Molmil
Crystal structure of F128A mutant of an epoxide hydrolase from Bacillus megaterium complexed with its product (R)-3-[1]naphthyloxy-propane-1,2-diol
Descriptor: (2R)-3-(naphthalen-1-yloxy)propane-1,2-diol, SULFATE ION, Soluble epoxide hydrolase
Authors:Kong, X.D, Zhou, J.H, Xu, J.H.
Deposit date:2013-01-07
Release date:2014-02-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Engineering of an epoxide hydrolase for efficient bioresolution of bulky pharmaco substrates.
Proc.Natl.Acad.Sci.USA, 111, 2014
4IKP
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BU of 4ikp by Molmil
Crystal structure of coactivator-associated arginine methyltransferase 1 with methylenesinefungin
Descriptor: (2S,5S)-2,6-diamino-5-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}hexanoic acid, GLYCEROL, Histone-arginine methyltransferase CARM1, ...
Authors:Dong, A, Dombrovski, L, He, H, Ibanez, G, Wernimont, A, Zheng, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Min, J, Luo, M, Wu, H, Structural Genomics Consortium (SGC)
Deposit date:2012-12-27
Release date:2013-02-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:A chemical probe of CARM1 alters epigenetic plasticity against breast cancer cell invasion.
Elife, 8, 2019
4INZ
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BU of 4inz by Molmil
The crystal structure of M145A mutant of an epoxide hydrolase from Bacillus megaterium
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Soluble epoxide hydrolase
Authors:Kong, X.D, Zhou, J.H, Xu, J.H.
Deposit date:2013-01-07
Release date:2014-02-12
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Engineering of an epoxide hydrolase for efficient bioresolution of bulky pharmaco substrates.
Proc.Natl.Acad.Sci.USA, 111, 2014
6FXV
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BU of 6fxv by Molmil
Crystal structure of ERK2 in complex with an adenosine derivative
Descriptor: DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, SULFATE ION, ...
Authors:Gelin, M, Labesse, G.
Deposit date:2018-03-09
Release date:2019-03-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:None
To be published
6GAT
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BU of 6gat by Molmil
SOLUTION NMR STRUCTURE OF THE L22V MUTANT DNA BINDING DOMAIN OF AREA COMPLEXED TO A 13 BP DNA CONTAINING A TGATA SITE, REGULARIZED MEAN STRUCTURE
Descriptor: DNA (5'-D(*CP*AP*GP*TP*GP*AP*TP*AP*GP*AP*GP*AP*C)-3'), DNA (5'-D(*GP*TP*CP*TP*CP*TP*AP*TP*CP*AP*CP*TP*G)-3'), NITROGEN REGULATORY PROTEIN AREA, ...
Authors:Clore, G.M, Starich, M, Wikstrom, M, Gronenborn, A.M.
Deposit date:1997-11-07
Release date:1998-01-28
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:The solution structure of the Leu22-->Val mutant AREA DNA binding domain complexed with a TGATAG core element defines a role for hydrophobic packing in the determination of specificity.
J.Mol.Biol., 277, 1998
6GR0
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BU of 6gr0 by Molmil
Petrobactin-binding engineered lipocalin in complex with gallium-petrobactin
Descriptor: 4-[4-[3-[[3,4-bis(oxidanyl)phenyl]carbonylamino]propylamino]butylamino]-2-[2-[4-[3-[[3,4-bis(oxidanyl)phenyl]carbonylamino]propylamino]butylamino]-2-oxidanylidene-ethyl]-2-oxidanyl-4-oxidanylidene-butanoic acid, GALLIUM (III) ION, Neutrophil gelatinase-associated lipocalin
Authors:Skerra, A, Eichinger, A.
Deposit date:2018-06-08
Release date:2018-08-15
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Reprogramming Human Siderocalin To Neutralize Petrobactin, the Essential Iron Scavenger of Anthrax Bacillus.
Angew. Chem. Int. Ed. Engl., 57, 2018
2RIS
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BU of 2ris by Molmil
Crystal structure of 3,4-dihydroxy-2-butanone 4-phosphate synthase of candida albicans- alternate interpretation
Descriptor: 3,4-dihydroxy-2-butanone 4-phosphate synthase
Authors:Stenkamp, R.E, Le Trong, I.
Deposit date:2007-10-12
Release date:2008-01-29
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Alternative models for two crystal structures of Candida albicans 3,4-dihydroxy-2-butanone 4-phosphate synthase.
Acta Crystallogr.,Sect.D, 64, 2008
6NLH
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BU of 6nlh by Molmil
Structure of human triose phosphate isomerase R189A
Descriptor: BROMIDE ION, PHOSPHATE ION, SODIUM ION, ...
Authors:Richards, K.R, Roland, B.P, Palladino, M.J, VanDemark, A.P.
Deposit date:2019-01-08
Release date:2019-06-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.199 Å)
Cite:Missense variant in TPI1 (Arg189Gln) causes neurologic deficits through structural changes in the triosephosphate isomerase catalytic site and reduced enzyme levels in vivo.
Biochim Biophys Acta Mol Basis Dis, 1865, 2019
5CJX
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BU of 5cjx by Molmil
Crystal structure of 8ANC195 Fab in complex with BG505 SOSIP.664 HIV-1 Env trimer
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 8ANC195 G52K5 heavy chain, ...
Authors:Scharf, L, Bjorkman, P.J.
Deposit date:2015-07-15
Release date:2015-09-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.584 Å)
Cite:Broadly Neutralizing Antibody 8ANC195 Recognizes Closed and Open States of HIV-1 Env.
Cell, 162, 2015
4P5E
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BU of 4p5e by Molmil
CRYSTAL STRUCTURE OF HUMAN DNPH1 (RCL) WITH 6-NAPHTHYL-PURINE-RIBOSIDE-MONOPHOSPHATE
Descriptor: 2'-deoxynucleoside 5'-phosphate N-hydrolase 1, 6-(naphthalen-2-yl)-9-(5-O-phosphono-beta-D-ribofuranosyl)-9H-purine, CALCIUM ION
Authors:Padilla, A, Labesse, G, Kaminski, P.A.
Deposit date:2014-03-16
Release date:2014-08-20
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:6-(Hetero)Arylpurine nucleotides as inhibitors of the oncogenic target DNPH1: Synthesis, structural studies and cytotoxic activities.
Eur.J.Med.Chem., 85C, 2014
4G07
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BU of 4g07 by Molmil
The crystal structure of the C366S mutant of HDH from Brucella suis
Descriptor: GLYCEROL, Histidinol dehydrogenase, ZINC ION
Authors:D'Ambrosio, K, De Simone, G.
Deposit date:2012-07-09
Release date:2013-09-04
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural basis for the rational design of new anti-Brucella agents: The crystal structure of the C366S mutant of l-histidinol dehydrogenase from Brucella suis.
Biochimie, 97, 2014
5HYN
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BU of 5hyn by Molmil
Structure of Human Polycomb Repressive Complex 2 (PRC2) with oncogenic histone H3K27M peptide
Descriptor: H3K27M, Histone-lysine N-methyltransferase EZH2, JARID2 K116me3, ...
Authors:Zhang, Y, Justin, N, Wilson, J.R, Gamblin, S.J.
Deposit date:2016-02-01
Release date:2016-05-11
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Structural basis of oncogenic histone H3K27M inhibition of human polycomb repressive complex 2.
Nat Commun, 7, 2016
6KTC
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BU of 6ktc by Molmil
Crystal structure of YBX1 CSD with m5C RNA
Descriptor: Nuclease-sensitive element-binding protein 1, RNA (5'-R(P*GP*(5MC)P*CP*U)-3')
Authors:Zou, F, Li, S.
Deposit date:2019-08-27
Release date:2020-02-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.008 Å)
Cite:DrosophilaYBX1 homolog YPS promotes ovarian germ line stem cell development by preferentially recognizing 5-methylcytosine RNAs.
Proc.Natl.Acad.Sci.USA, 117, 2020
4P5D
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BU of 4p5d by Molmil
CRYSTAL STRUCTURE OF RAT DNPH1 (RCL) WITH 6-NAPHTHYL-PURINE-RIBOSIDE-MONOPHOSPHATE
Descriptor: 2'-deoxynucleoside 5'-phosphate N-hydrolase 1, 6-(naphthalen-2-yl)-9-(5-O-phosphono-beta-D-ribofuranosyl)-9H-purine, SULFATE ION
Authors:Padilla, A, Labesse, G, Kaminski, P.A.
Deposit date:2014-03-16
Release date:2014-08-20
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:6-(Hetero)Arylpurine nucleotides as inhibitors of the oncogenic target DNPH1: Synthesis, structural studies and cytotoxic activities.
Eur.J.Med.Chem., 85C, 2014
6RBU
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BU of 6rbu by Molmil
Crystal structure of NAD kinase 1 from Listeria monocytogenes in complexe with an adenine derivative
Descriptor: 9-(2-azidoethyl)-8-bromanyl-purin-6-amine, CITRIC ACID, NAD kinase 1
Authors:Gelin, M, Labesse, G.
Deposit date:2019-04-11
Release date:2020-02-19
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:From Substrate to Fragments to Inhibitor ActiveIn VivoagainstStaphylococcus aureus.
Acs Infect Dis., 6, 2020
6RC3
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BU of 6rc3 by Molmil
Crystal structure of NAD kinase 1 from Listeria monocytogenes in complexe with an adenine derivative
Descriptor: 9-(2-chloroethyl)-8-methyl-purin-6-amine, CITRIC ACID, GLYCEROL, ...
Authors:Gelin, M, Labesse, G.
Deposit date:2019-04-11
Release date:2020-02-19
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.315 Å)
Cite:From Substrate to Fragments to Inhibitor ActiveIn VivoagainstStaphylococcus aureus.
Acs Infect Dis., 6, 2020
6RBW
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BU of 6rbw by Molmil
Crystal structure of NAD kinase 1 from Listeria monocytogenes in complexe with an adenine derivative
Descriptor: 9-(4-azidobutyl)-8-bromanyl-purin-6-amine, CITRIC ACID, NAD kinase 1
Authors:Gelin, M, Labesse, G.
Deposit date:2019-04-11
Release date:2020-02-19
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:From Substrate to Fragments to Inhibitor ActiveIn VivoagainstStaphylococcus aureus.
Acs Infect Dis., 6, 2020
6RC6
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BU of 6rc6 by Molmil
Crystal structure of NAD kinase 1 from Listeria monocytogenes in complexe with an adenine derivative
Descriptor: 3-[6-azanyl-9-[(2~{R})-oxan-2-yl]purin-8-yl]prop-2-yn-1-ol, CITRIC ACID, NAD kinase 1
Authors:Gelin, M, Labesse, G.
Deposit date:2019-04-11
Release date:2020-02-19
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:From Substrate to Fragments to Inhibitor ActiveIn VivoagainstStaphylococcus aureus.
Acs Infect Dis., 6, 2020

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