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1VZC
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BU of 1vzc by Molmil
L. CASEI THYMIDYLATE SYNTHASE MUTANT E60Q BINARY COMPLEX WITH FDUMP
Descriptor: 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE
Authors:Birdsall, D.L, Finer-Moore, J, Stroud, R.M.
Deposit date:1996-09-18
Release date:1997-03-12
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The separate effects of E60Q in Lactobacillus casei thymidylate synthase delineate between mechanisms for formation of intermediates in catalysis.
Protein Eng., 11, 1998
1VZE
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BU of 1vze by Molmil
L. CASEI THYMIDYLATE SYNTHASE MUTANT E60Q TERNARY COMPLEX WITH DUMP AND CB3717
Descriptor: 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE
Authors:Birdsall, D.L, Finer-Moore, J, Stroud, R.M.
Deposit date:1996-09-18
Release date:1997-03-12
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The separate effects of E60Q in Lactobacillus casei thymidylate synthase delineate between mechanisms for formation of intermediates in catalysis.
Protein Eng., 11, 1998
1YO6
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BU of 1yo6 by Molmil
Crystal Structure of the putative Carbonyl Reductase Sniffer of Caenorhabditis elegans
Descriptor: Putative Carbonyl Reductase Sniffer
Authors:Southeast Collaboratory for Structural Genomics (SECSG)
Deposit date:2005-01-26
Release date:2005-02-15
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal Structure of the putative Carbonyl Reductase Sniffer of Caenorhabditis elegans
To be Published
1YQ1
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BU of 1yq1 by Molmil
Structural Genomics Of Caenorhabditis Elegans: glutathione S-Transferase
Descriptor: glutathione S-Transferase
Authors:Southeast Collaboratory for Structural Genomics (SECSG)
Deposit date:2005-01-31
Release date:2005-02-15
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural Genomics of Caenorhabditis Elegans: glutathione S-Transferase
To be Published
8GUG
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BU of 8gug by Molmil
Structure of VPA0770 toxin bound to VPA0769 antitoxin in Vibrio parahaemolyticus
Descriptor: DUF2384 domain-containing protein, RES domain-containing protein
Authors:Song, X.J, Zhang, Y, Xu, Y.Y, Lin, Z.
Deposit date:2022-09-12
Release date:2023-07-26
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structural insights of the toxin-antitoxin system VPA0770-VPA0769 in Vibrio parahaemolyticus.
Int.J.Biol.Macromol., 242, 2023
5TF9
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BU of 5tf9 by Molmil
Crystal structure of WNK1 in complex with Mn2+AMPPNP and WNK476
Descriptor: CALCIUM ION, MANGANESE (II) ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Xie, X, Gunawan, J.
Deposit date:2016-09-24
Release date:2016-10-19
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery and Characterization of Allosteric WNK Kinase Inhibitors.
ACS Chem. Biol., 11, 2016
5VOJ
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BU of 5voj by Molmil
Crystal structure of HCV NS3/4A protease in complex with JZ01-15, an analogue of 5172-mcP1P3
Descriptor: NS4A cofactor -- NS3 protein chimera, SULFATE ION, ZINC ION, ...
Authors:Matthew, A.N, Schiffer, C.A.
Deposit date:2017-05-03
Release date:2017-06-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.799 Å)
Cite:Hepatitis C Virus NS3/4A Protease Inhibitors Incorporating Flexible P2 Quinoxalines Target Drug Resistant Viral Variants.
J. Med. Chem., 60, 2017
5VP9
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BU of 5vp9 by Molmil
Crystal structure of HCV NS3/4A protease in complex with AM-07, an analogue of 5172-mcP1P3
Descriptor: NS4A cofactor -- NS3 protein chimera, SULFATE ION, ZINC ION, ...
Authors:Matthew, A.N, Schiffer, C.A.
Deposit date:2017-05-04
Release date:2017-06-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.859 Å)
Cite:Hepatitis C Virus NS3/4A Protease Inhibitors Incorporating Flexible P2 Quinoxalines Target Drug Resistant Viral Variants.
J. Med. Chem., 60, 2017
1PZV
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BU of 1pzv by Molmil
Crystal structures of two UBC (E2) enzymes of the ubiquitin-conjugating system in Caenorhabditis elegans
Descriptor: Probable ubiquitin-conjugating enzyme E2-19 kDa
Authors:Schormann, N, Lin, G, Li, S, Symersky, J, Qiu, S, Finley, J, Luo, D, Stanton, A, Carson, M, Luo, M, Southeast Collaboratory for Structural Genomics (SECSG)
Deposit date:2003-07-14
Release date:2003-07-22
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Crystal structures of two UBC (E2) enzymes of the ubiquitin-conjugating system in Caenorhabditis elegans
To be Published
8OU0
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BU of 8ou0 by Molmil
bovine sperm endpiece singlet microtubules (one tubulin dimer and associated microtubule inner proteins)
Descriptor: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Leung, M.R, Zeev-Ben-Mordehai, T.
Deposit date:2023-04-21
Release date:2023-07-05
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structural specializations of the sperm tail.
Cell, 186, 2023
8OTZ
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BU of 8otz by Molmil
48-nm repeat of the native axonemal doublet microtubule from bovine sperm
Descriptor: ATP6V1F neighbor, CFAP97 domain containing 1, Chromosome 13 C20orf85 homolog, ...
Authors:Leung, M.R, Zeng, J, Zhang, R, Zeev-Ben-Mordehai, T.
Deposit date:2023-04-21
Release date:2023-11-22
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structural specializations of the sperm tail.
Cell, 186, 2023
7SCG
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BU of 7scg by Molmil
FH210 bound Mu Opioid Receptor-Gi Protein Complex
Descriptor: (2E)-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(naphthalen-1-yl)prop-2-enamide, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Wang, H, Kobilka, B.
Deposit date:2021-09-28
Release date:2022-04-20
Last modified:2022-07-06
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structure-Based Evolution of G Protein-Biased mu-Opioid Receptor Agonists.
Angew.Chem.Int.Ed.Engl., 61, 2022
8SNB
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BU of 8snb by Molmil
atomic model of sea urchin sperm doublet microtubule (48-nm periodicity)
Descriptor: ATP6V1FNB, C20Orf85, C4orf45, ...
Authors:Zeng, J, Zhang, R.
Deposit date:2023-04-26
Release date:2023-06-28
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural specializations of the sperm tail.
Cell, 2023
8SQU
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BU of 8squ by Molmil
Monomeric MapSPARTA bound with guide RNA and target DNA hybrid
Descriptor: MAGNESIUM ION, TIR-APAZ, guide RNA, ...
Authors:Shen, Z.F, Yang, X.Y, Fu, T.M.
Deposit date:2023-05-04
Release date:2023-08-23
Last modified:2023-09-20
Method:ELECTRON MICROSCOPY (3.28 Å)
Cite:Oligomerization-mediated activation of a short prokaryotic Argonaute.
Nature, 621, 2023
8SP3
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BU of 8sp3 by Molmil
Asymmetric dimer of MapSPARTA bound with gRNA/tDNA hybrid
Descriptor: MAGNESIUM ION, TIR-APAZ, guide RNA, ...
Authors:Shen, Z.F, Yang, X.Y, Fu, T.M.
Deposit date:2023-05-01
Release date:2023-08-23
Last modified:2023-09-20
Method:ELECTRON MICROSCOPY (3.52 Å)
Cite:Oligomerization-mediated activation of a short prokaryotic Argonaute.
Nature, 621, 2023
8SP0
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BU of 8sp0 by Molmil
Symmetric dimer of MapSPARTA bound with gRNA/tDNA hybrid
Descriptor: MAGNESIUM ION, TIR-APAZ, guide RNA, ...
Authors:Shen, Z.F, Yang, X.Y, Fu, T.M.
Deposit date:2023-05-01
Release date:2023-08-23
Last modified:2023-09-20
Method:ELECTRON MICROSCOPY (3.33 Å)
Cite:Oligomerization-mediated activation of a short prokaryotic Argonaute.
Nature, 621, 2023
8SPO
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BU of 8spo by Molmil
Tetramerized activation of MapSPARTA bound with NAD+
Descriptor: MAGNESIUM ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Piwi domain-containing protein, ...
Authors:Shen, Z.F, Yang, X.Y, Fu, T.M.
Deposit date:2023-05-03
Release date:2023-08-23
Last modified:2023-09-20
Method:ELECTRON MICROSCOPY (2.98 Å)
Cite:Oligomerization-mediated activation of a short prokaryotic Argonaute.
Nature, 621, 2023
7T6B
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BU of 7t6b by Molmil
Structure of S1PR2-heterotrimeric G13 signaling complex
Descriptor: (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Li, X, Chen, H.
Deposit date:2021-12-13
Release date:2022-04-06
Last modified:2022-06-29
Method:ELECTRON MICROSCOPY (3.19 Å)
Cite:Structure of S1PR2-heterotrimeric G 13 signaling complex.
Sci Adv, 8, 2022
7T2G
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BU of 7t2g by Molmil
CryoEM structure of mu-opioid receptor - Gi protein complex bound to mitragynine pseudoindoxyl (MP)
Descriptor: CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Seven, A.B, Qu, Q, Robertson, M.J, Wang, H, Kobilka, B.K, Skiniotis, G.
Deposit date:2021-12-04
Release date:2022-12-07
Last modified:2023-02-15
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Insights into distinct signaling profiles of the mu OR activated by diverse agonists.
Nat.Chem.Biol., 2022
4ZT4
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BU of 4zt4 by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitorN-(3,5-dichlorobenzyl)-2,2-difluoro-N'-(1H-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine (Chem 1708)
Descriptor: DIMETHYL SULFOXIDE, GLYCEROL, METHIONINE, ...
Authors:Koh, C.-Y, Hol, W.G.J.
Deposit date:2015-05-14
Release date:2016-05-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:5-Fluoroimidazo[4,5-b]pyridine Is a Privileged Fragment That Conveys Bioavailability to Potent Trypanosomal Methionyl-tRNA Synthetase Inhibitors.
Acs Infect Dis., 2, 2016
4ZT6
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BU of 4zt6 by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor N-[(4R)-6,8-dichloro-3,4-dihydro-2H-chromen-4-yl]-N'-(5-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine (Chem 1709)
Descriptor: DIMETHYL SULFOXIDE, METHIONINE, Methionyl-tRNA synthetase, ...
Authors:Koh, C.-Y, Hol, W.G.J.
Deposit date:2015-05-14
Release date:2016-05-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:5-Fluoroimidazo[4,5-b]pyridine Is a Privileged Fragment That Conveys Bioavailability to Potent Trypanosomal Methionyl-tRNA Synthetase Inhibitors.
Acs Infect Dis., 2, 2016
4ZT7
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BU of 4zt7 by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor N-[(4R)-6,8-dichloro-1,2,3,4-tetrahydroquinolin-4-yl]-N'-(5-fluoro-3H-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine (Chem 1717)
Descriptor: DIMETHYL SULFOXIDE, GLYCEROL, METHIONINE, ...
Authors:Koh, C.-Y, Hol, W.G.J.
Deposit date:2015-05-14
Release date:2016-05-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:5-Fluoroimidazo[4,5-b]pyridine Is a Privileged Fragment That Conveys Bioavailability to Potent Trypanosomal Methionyl-tRNA Synthetase Inhibitors.
Acs Infect Dis., 2, 2016
4ZT5
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BU of 4zt5 by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor (2S)-N-(3,5-dichlorobenzyl)-N'-(1H-imidazo[4,5-b]pyridin-2-yl)-2-methylpropane-1,3-diamine (Chem 1655)
Descriptor: (2S)-N-(3,5-dichlorobenzyl)-N'-(1H-imidazo[4,5-b]pyridin-2-yl)-2-methylpropane-1,3-diamine, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Koh, C.-Y, Hol, W.G.J.
Deposit date:2015-05-14
Release date:2016-05-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:5-Fluoroimidazo[4,5-b]pyridine Is a Privileged Fragment That Conveys Bioavailability to Potent Trypanosomal Methionyl-tRNA Synthetase Inhibitors.
Acs Infect Dis., 2, 2016
4ONA
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BU of 4ona by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1517
Descriptor: 5-amino-1-tert-butyl-3-(7-ethoxyquinolin-3-yl)-1H-pyrazole-4-carboxamide, Calmodulin-domain protein kinase 1
Authors:Merritt, E.A.
Deposit date:2014-01-28
Release date:2014-03-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Potent and selective inhibitors of CDPK1 from T. gondii and C. parvum based on a 5-aminopyrazole-4-carboxamide scaffold.
ACS Med Chem Lett, 5, 2014
4TZR
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BU of 4tzr by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1561
Descriptor: 1-{4-amino-3-[2-(cyclopropyloxy)quinolin-6-yl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}-2-methylpropan-2-ol, Calmodulin-domain protein kinase 1
Authors:Merritt, E.A.
Deposit date:2014-07-10
Release date:2014-08-27
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Development of an Orally Available and Central Nervous System (CNS) Penetrant Toxoplasma gondii Calcium-Dependent Protein Kinase 1 (TgCDPK1) Inhibitor with Minimal Human Ether-a-go-go-Related Gene (hERG) Activity for the Treatment of Toxoplasmosis.
J. Med. Chem., 59, 2016

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