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2B4G
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BU of 2b4g by Molmil
dihydroorotate dehydrogenase
Descriptor: BROMIDE ION, FLAVIN MONONUCLEOTIDE, GLYCEROL, ...
Authors:Arakaki, T.L, Merritt, E.A, Structural Genomics of Pathogenic Protozoa Consortium (SGPP)
Deposit date:2005-09-23
Release date:2005-10-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Characterization of Trypanosoma brucei dihydroorotate dehydrogenase as a possible drug target; structural, kinetic and RNAi studies
Mol.Microbiol., 68, 2008
4ENN
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BU of 4enn by Molmil
Crystal structure of S. pombe Atl1 in complex with damaged DNA containing O6-carboxymethylguanine
Descriptor: Alkyltransferase-like protein 1, RNA (5'-R(*GP*CP*CP*AP*TP*GP*(C6G)P*CP*TP*AP*GP*TP*A)-3')
Authors:Tubbs, J.L, Arvai, A.S, Tainer, J.A.
Deposit date:2012-04-13
Release date:2012-06-20
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.8448 Å)
Cite:Atl1 Regulates Choice between Global Genome and Transcription-Coupled Repair of O(6)-Alkylguanines.
Mol.Cell, 47, 2012
4HDV
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BU of 4hdv by Molmil
Crystal structure of S. pombe ATL1 in complex with damaged DNA containing 2,6-diaminopurine
Descriptor: 5'-D(*CP*TP*AP*CP*TP*AP*GP*CP*CP*AP*TP*GP*G)-3', 5'-D(*GP*CP*CP*AP*TP*GP*(1AP)P*CP*TP*AP*GP*TP*A)-3', Alkyltransferase-like protein 1
Authors:Tubbs, J.L, Tainer, J.A.
Deposit date:2012-10-02
Release date:2012-12-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.702 Å)
Cite:Alkyltransferase-like protein (Atl1) distinguishes alkylated guanines for DNA repair using cation-{pi} interactions.
Proc.Natl.Acad.Sci.USA, 109, 2012
4ENM
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BU of 4enm by Molmil
Crystal structure of S. pombe Atl1 in complex with damaged DNA containing O6-benzylguanine
Descriptor: Alkyltransferase-like protein 1, DNA (5'-D(*CP*TP*AP*CP*TP*AP*GP*CP*CP*AP*TP*GP*G)-3'), DNA (5'-D(*GP*CP*CP*AP*TP*GP*(BZG)P*CP*TP*AP*GP*TP*A)-3')
Authors:Tubbs, J.L, Arvai, A.S, Tainer, J.A.
Deposit date:2012-04-13
Release date:2012-06-20
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.8402 Å)
Cite:Atl1 Regulates Choice between Global Genome and Transcription-Coupled Repair of O(6)-Alkylguanines.
Mol.Cell, 47, 2012
4ENK
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BU of 4enk by Molmil
Crystal structure of S. pombe Atl1 in complex with damaged DNA containing O6-propylguanine
Descriptor: Alkyltransferase-like protein 1, DNA (5'-D(*CP*TP*AP*CP*TP*AP*GP*CP*CP*AP*TP*GP*G)-3'), DNA (5'-D(*GP*CP*CP*AP*TP*GP*(6PO)P*CP*TP*AP*GP*TP*A)-3')
Authors:Tubbs, J.L, Arvai, A.S, Tainer, J.A.
Deposit date:2012-04-13
Release date:2012-06-20
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.0445 Å)
Cite:Atl1 Regulates Choice between Global Genome and Transcription-Coupled Repair of O(6)-Alkylguanines.
Mol.Cell, 47, 2012
4ENJ
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BU of 4enj by Molmil
Crystal structure of S. pombe Atl1 in complex with damaged DNA containing O6-hydroxyethylguanine
Descriptor: Alkyltransferase-like protein 1, DNA (5'-D(*CP*TP*AP*CP*TP*AP*GP*CP*CP*AP*TP*GP*G)-3'), DNA (5'-D(*GP*CP*CP*AP*TP*GP*(EHG)P*CP*TP*AP*GP*TP*A)-3')
Authors:Tubbs, J.L, Arvai, A.S, Tainer, J.A.
Deposit date:2012-04-13
Release date:2012-06-20
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.0989 Å)
Cite:Atl1 Regulates Choice between Global Genome and Transcription-Coupled Repair of O(6)-Alkylguanines.
Mol.Cell, 47, 2012
4HDU
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BU of 4hdu by Molmil
Crystal structure of S. pombe ATL1 in complex with damaged DNA containing 2-aminopurine
Descriptor: 5'-D(*CP*TP*AP*CP*TP*AP*GP*CP*CP*AP*TP*GP*G)-3', 5'-D(*GP*CP*CP*AP*TP*GP*(2PR)P*CP*TP*AP*GP*TP*A)-3', Alkyltransferase-like protein 1
Authors:Tubbs, J.L, Tainer, J.A.
Deposit date:2012-10-02
Release date:2012-12-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.848 Å)
Cite:Alkyltransferase-like protein (Atl1) distinguishes alkylated guanines for DNA repair using cation-{pi} interactions.
Proc.Natl.Acad.Sci.USA, 109, 2012
4GGN
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BU of 4ggn by Molmil
Malaria invasion machinery protein complex
Descriptor: Myosin A tail domain interacting protein MTIP, Myosin-A
Authors:Khamrui, S, Turley, S, Bergman, L.W, Hol, W.G.J.
Deposit date:2012-08-06
Release date:2013-07-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:The structure of the D3 domain of Plasmodium falciparum myosin tail interacting protein MTIP in complex with a nanobody.
Mol.Biochem.Parasitol., 190, 2013
1GYQ
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BU of 1gyq by Molmil
CRYSTAL STRUCTURE OF GLYCOSOMAL GLYCERALDEHYDE FROM LEISHMANIA MEXICANA IN COMPLEX WITH N6-BENZYL-NAD
Descriptor: N6-BENZYL-NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PROTEIN (GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE)
Authors:Suresh, S, Hol, W.
Deposit date:1999-03-05
Release date:1999-03-16
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Structure-based design of submicromolar, biologically active inhibitors of trypanosomatid glyceraldehyde-3-phosphate dehydrogenase.
Proc.Natl.Acad.Sci.USA, 96, 1999
2TDX
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BU of 2tdx by Molmil
DIPHTHERIA TOX REPRESSOR (C102D MUTANT) COMPLEXED WITH NICKEL
Descriptor: DIPHTHERIA TOX REPRESSOR, NICKEL (II) ION
Authors:White, A, Ding, X, Zheng, H, Schiering, N, Ringe, D, Murphy, J.R.
Deposit date:1998-06-22
Release date:1998-10-14
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of the metal-ion-activated diphtheria toxin repressor/tox operator complex.
Nature, 394, 1998
4MX9
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BU of 4mx9 by Molmil
CDPK1 from Neospora caninum in complex with inhibitor UW1294
Descriptor: 3-(6-ethoxynaphthalen-2-yl)-1-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-like domain protein kinase isoenzyme gamma, related
Authors:Merritt, E.A.
Deposit date:2013-09-26
Release date:2013-10-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Neospora caninum Calcium-Dependent Protein Kinase 1 Is an Effective Drug Target for Neosporosis Therapy.
Plos One, 9, 2014
1JQY
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BU of 1jqy by Molmil
HEAT-LABILE ENTEROTOXIN B-PENTAMER WITH LIGAND BMSC-0010
Descriptor: (3-NITRO-5-(3-MORPHOLIN-4-YL-PROPYLAMINOCARBONYL)PHENYL)-GALACTOPYRANOSIDE, HEAT-LABILE ENTEROTOXIN B CHAIN
Authors:Merritt, E.A, Hol, W.G.J.
Deposit date:2001-08-09
Release date:2002-05-08
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Anchor-based design of improved cholera toxin and E. coli heat-labile enterotoxin receptor binding antagonists that display multiple binding modes.
Chem.Biol., 9, 2002
1JR0
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BU of 1jr0 by Molmil
CHOLERA TOXIN B-PENTAMER WITH LIGAND BMSC-0011
Descriptor: (3-NITRO-5-(2-MORPHOLIN-4-YL-ETHYLAMINOCARBONYL)PHENYL)-GALACTOPYRANOSIDE, cholera toxin B subunit
Authors:Merritt, E.A, Hol, W.G.J.
Deposit date:2001-08-09
Release date:2002-05-08
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Anchor-based design of improved cholera toxin and E. coli heat-labile enterotoxin receptor binding antagonists that display multiple binding modes.
Chem.Biol., 9, 2002
4M97
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BU of 4m97 by Molmil
Calcium-Dependent Protein Kinase 1 from Neospora caninum
Descriptor: Calmodulin-like domain protein kinase isoenzyme gamma, related
Authors:Merritt, E.A.
Deposit date:2013-08-14
Release date:2013-10-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Neospora caninum Calcium-Dependent Protein Kinase 1 Is an Effective Drug Target for Neosporosis Therapy.
Plos One, 9, 2014
1BI2
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BU of 1bi2 by Molmil
STRUCTURE OF APO-AND HOLO-DIPHTHERIA TOXIN REPRESSOR
Descriptor: DIPHTHERIA TOXIN REPRESSOR
Authors:Pohl, E, Hol, W.G.J.
Deposit date:1998-06-21
Release date:1999-06-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Motion of the DNA-binding domain with respect to the core of the diphtheria toxin repressor (DtxR) revealed in the crystal structures of apo- and holo-DtxR.
J.Biol.Chem., 273, 1998
1BI0
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BU of 1bi0 by Molmil
STRUCTURE OF APO-AND HOLO-DIPHTHERIA TOXIN REPRESSOR
Descriptor: DIPHTHERIA TOXIN REPRESSOR, SULFATE ION, ZINC ION
Authors:Pohl, E, Hol, W.G.
Deposit date:1998-06-21
Release date:1999-07-22
Last modified:2022-12-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Motion of the DNA-binding domain with respect to the core of the diphtheria toxin repressor (DtxR) revealed in the crystal structures of apo- and holo-DtxR.
J.Biol.Chem., 273, 1998
1BI1
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BU of 1bi1 by Molmil
STRUCTURE OF APO-AND HOLO-DIPHTHERIA TOXIN REPRESSOR
Descriptor: DIPHTHERIA TOXIN REPRESSOR
Authors:Pohl, E, Hol, W.G.J.
Deposit date:1998-06-21
Release date:1999-06-22
Last modified:2022-12-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Motion of the DNA-binding domain with respect to the core of the diphtheria toxin repressor (DtxR) revealed in the crystal structures of apo- and holo-DtxR.
J.Biol.Chem., 273, 1998
1BI3
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BU of 1bi3 by Molmil
STRUCTURE OF APO-AND HOLO-DIPHTHERIA TOXIN REPRESSOR
Descriptor: DIPHTHERIA TOXIN REPRESSOR, SULFATE ION, ZINC ION
Authors:Pohl, E, Hol, W.G.J.
Deposit date:1998-06-21
Release date:1999-06-22
Last modified:2022-12-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Motion of the DNA-binding domain with respect to the core of the diphtheria toxin repressor (DtxR) revealed in the crystal structures of apo- and holo-DtxR.
J.Biol.Chem., 273, 1998
6E8Z
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BU of 6e8z by Molmil
Binary complex of Human glycerol 3-phosphate dehydrogenase with NAD
Descriptor: 1,2-ETHANEDIOL, Glycerol-3-phosphate dehydrogenase [NAD(+)], cytoplasmic, ...
Authors:Mydy, L.S, Gulick, A.M.
Deposit date:2018-07-31
Release date:2019-01-30
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Human Glycerol 3-Phosphate Dehydrogenase: X-ray Crystal Structures That Guide the Interpretation of Mutagenesis Studies.
Biochemistry, 58, 2019
4UFP
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BU of 4ufp by Molmil
Laboratory evolved variant R-C1B1D33 of potato epoxide hydrolase StEH1
Descriptor: EPOXIDE HYDROLASE
Authors:Carlsson, A.J, Bauer, P, Nilsson, M, Dobritzsch, D, Kamerlin, S.C.L, Widersten, M.
Deposit date:2015-03-17
Release date:2016-04-13
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Laboratory Evolved Enzymes Provide Snapshots of the Development of Enantioconvergence in Enzyme-Catalyzed Epoxide Hydrolysis.
Chembiochem, 17, 2016
4UFO
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BU of 4ufo by Molmil
Laboratory evolved variant R-C1B1D33E6 of potato epoxide hydrolase StEH1
Descriptor: EPOXIDE HYDROLASE
Authors:Carlsson, A.J, Bauer, P, Nilsson, M, Dobritzsch, D, Kamerlin, S.C.L, Widersten, M.
Deposit date:2015-03-17
Release date:2016-04-13
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Laboratory Evolved Enzymes Provide Snapshots of the Development of Enantioconvergence in Enzyme-Catalyzed Epoxide Hydrolysis.
Chembiochem, 17, 2016
4YSJ
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BU of 4ysj by Molmil
Calcium-Dependent Protein Kinase from Eimeria tenella in complex with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, Calmodulin-like domain protein kinase, ...
Authors:Merritt, E.A.
Deposit date:2015-03-17
Release date:2016-04-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:CDPK is a druggable target in the apicomplexan parasite Eimeria
to be published
4YJN
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BU of 4yjn by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1639
Descriptor: 5-amino-1-tert-butyl-3-[2-(cyclobutyloxy)quinolin-6-yl]-1H-pyrazole-4-carboxamide, Calmodulin-domain protein kinase 1
Authors:Merritt, E.A.
Deposit date:2015-03-03
Release date:2015-11-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:SAR Studies of 5-Aminopyrazole-4-carboxamide Analogues as Potent and Selective Inhibitors of Toxoplasma gondii CDPK1.
Acs Med.Chem.Lett., 6, 2015
6XEA
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BU of 6xea by Molmil
Crystal Structure of the PTP1B YopH WPD loop Chimera 3 bound to vanadate
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BENZAMIDINE, MAGNESIUM ION, ...
Authors:Olsen, K.J, Shen, R, Johnson, S.J, Hengge, A.C.
Deposit date:2020-06-12
Release date:2021-12-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.549 Å)
Cite:Insights into the importance of WPD-loop sequence for activity and structure in protein tyrosine phosphatases.
Chem Sci, 13, 2022
6XEE
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BU of 6xee by Molmil
Crystal Structure of the PTP1B YopH WPD loop Chimera 4 apo form
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BENZAMIDINE, DI(HYDROXYETHYL)ETHER, ...
Authors:Olsen, K.J, Shen, R, Johnson, S.J, Hengge, A.C.
Deposit date:2020-06-12
Release date:2021-12-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.501 Å)
Cite:Insights into the importance of WPD-loop sequence for activity and structure in protein tyrosine phosphatases.
Chem Sci, 13, 2022

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