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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
4J75
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BU of 4j75 by Molmil
Crystal Structure of a parasite tRNA synthetase, product-bound
Descriptor: GLYCEROL, TRYPTOPHANYL-5'AMP, Tryptophanyl-tRNA synthetase
Authors:Koh, C.Y, Kim, J.E, Verlinde, C.L.M.J, Hol, W.G.J.
Deposit date:2013-02-12
Release date:2013-05-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structures of Plasmodium falciparum cytosolic tryptophanyl-tRNA synthetase and its potential as a target for structure-guided drug design.
Mol.Biochem.Parasitol., 189, 2013
4J76
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BU of 4j76 by Molmil
Crystal Structure of a parasite tRNA synthetase, ligand-free
Descriptor: GLYCEROL, Tryptophanyl-tRNA synthetase
Authors:Koh, C.Y, Kim, J.E, Verlinde, C.L.M.J, Hol, W.G.J.
Deposit date:2013-02-12
Release date:2013-05-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Crystal structures of Plasmodium falciparum cytosolic tryptophanyl-tRNA synthetase and its potential as a target for structure-guided drug design.
Mol.Biochem.Parasitol., 189, 2013
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
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
4MXA
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BU of 4mxa by Molmil
CDPK1 from Neospora caninum in complex with inhibitor RM-1-132
Descriptor: 3-(6-ethoxynaphthalen-2-yl)-1-(piperidin-4-ylmethyl)-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 Å)
Cite:Neospora caninum Calcium-Dependent Protein Kinase 1 Is an Effective Drug Target for Neosporosis Therapy.
Plos One, 9, 2014
4Y5Q
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BU of 4y5q by Molmil
Activated Calcium-Dependent Protein Kinase 1 from Cryptosporidium parvum (CpCDPK1) in complex with AMP
Descriptor: ADENOSINE MONOPHOSPHATE, CALCIUM ION, Calmodulin-domain protein kinase 1, ...
Authors:Merritt, E.A, Larson, E.T, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
Deposit date:2015-02-11
Release date:2015-02-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Activated Calcium-Dependent Protein Kinase 1 from Cryptosporidium parvum (CpCDPK1) in complex with AMP
To Be Published
3H15
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BU of 3h15 by Molmil
Crystal structure of replication initiation factor MCM10-ID bound to ssDNA
Descriptor: 5'-D(*CP*CP*CP*CP*CP*CP*CP*CP*C)-3', Protein MCM10 homolog, ZINC ION
Authors:Warren, E.M, Eichman, B.F.
Deposit date:2009-04-10
Release date:2009-07-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:Physical Interactions between Mcm10, DNA, and DNA Polymerase {alpha}.
J.Biol.Chem., 284, 2009
4LIL
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BU of 4lil by Molmil
Crystal structure of the catalytic subunit of human primase bound to UTP and Mn
Descriptor: DNA primase small subunit, MANGANESE (II) ION, URIDINE 5'-TRIPHOSPHATE, ...
Authors:Vaithiyalingam, S, Eichman, B.F, Chazin, W.J.
Deposit date:2013-07-02
Release date:2013-12-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Insights into Eukaryotic Primer Synthesis from Structures of the p48 Subunit of Human DNA Primase.
J.Mol.Biol., 426, 2014
4LIK
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BU of 4lik by Molmil
Crystal structure of the catalytic subunit of human primase
Descriptor: CITRIC ACID, DNA primase small subunit, ZINC ION
Authors:Vaithiyalingam, S, Eichman, B.F, Chazin, W.J.
Deposit date:2013-07-02
Release date:2013-12-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Insights into Eukaryotic Primer Synthesis from Structures of the p48 Subunit of Human DNA Primase.
J.Mol.Biol., 426, 2014
4LIM
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BU of 4lim by Molmil
Crystal structure of the catalytic subunit of yeast primase
Descriptor: DNA primase small subunit, ZINC ION
Authors:Vaithiyalingam, S, Chazin, W.J, Berger, J.M, Corn, J, Stephenson, S.
Deposit date:2013-07-02
Release date:2013-12-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Insights into Eukaryotic Primer Synthesis from Structures of the p48 Subunit of Human DNA Primase.
J.Mol.Biol., 426, 2014
6DFL
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BU of 6dfl by Molmil
WaaP in complex with acyl carrier protein
Descriptor: Acyl carrier protein, Lipopolysaccharide core heptose(I) kinase RfaP, S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] hexadecanethioate
Authors:Chopra, R, Vash, B.
Deposit date:2018-05-15
Release date:2019-04-03
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (2.396 Å)
Cite:Acylated-acyl carrier protein stabilizes the Pseudomonas aeruginosa WaaP lipopolysaccharide heptose kinase.
Sci Rep, 8, 2018
6Q2A
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BU of 6q2a by Molmil
Trypanosoma brucei CLK1 kinase domain in complex with a covalent aminobenzimidazole inhibitor AB1
Descriptor: Protein kinase, putative, SULFATE ION, ...
Authors:Ma, X, Ornelas, E.
Deposit date:2019-08-07
Release date:2020-06-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Targeting the trypanosome kinetochore with CLK1 protein kinase inhibitors.
Nat Microbiol, 5, 2020
6RAH
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BU of 6rah by Molmil
Heterodimeric ABC exporter TmrAB in ATP-bound outward-facing open conformation
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Multidrug resistance ABC transporter ATP-binding and permease protein, ...
Authors:Thomas, C, Januliene, D, Mehdipour, A.R, Hofmann, S, Hummer, G, Moeller, A, Tampe, R.
Deposit date:2019-04-06
Release date:2019-07-31
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Conformation space of a heterodimeric ABC exporter under turnover conditions.
Nature, 571, 2019
6RAM
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BU of 6ram by Molmil
Heterodimeric ABC exporter TmrAB under turnover conditions in asymmetric unlocked return conformation with wider opened intracellular gate
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Thomas, C, Januliene, D, Mehdipour, A.R, Hofmann, S, Hummer, G, Moeller, A, Tampe, R.
Deposit date:2019-04-06
Release date:2019-07-31
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Conformation space of a heterodimeric ABC exporter under turnover conditions.
Nature, 571, 2019
8SMV
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BU of 8smv by Molmil
GPR161 Gs heterotrimer
Descriptor: CHOLESTEROL, G-protein coupled receptor 161, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Hoppe, N, Manglik, A, Harrison, S.
Deposit date:2023-04-26
Release date:2024-02-21
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (2.74 Å)
Cite:GPR161 structure uncovers the redundant role of sterol-regulated ciliary cAMP signaling in the Hedgehog pathway.
Biorxiv, 2023
5Z9C
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BU of 5z9c by Molmil
Solution NMR structures of BRD4 first bromodomain with small compound MMQO
Descriptor: 8-methoxy-6-methylquinolin-4(1H)-one, Bromodomain-containing protein 4
Authors:Zeng, L, Zhou, M.-M.
Deposit date:2018-02-02
Release date:2018-02-14
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:A New Quinoline BRD4 Inhibitor Targets a Distinct Latent HIV-1 Reservoir for Reactivation from Other "Shock" Drugs.
J. Virol., 92, 2018
8FVR
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BU of 8fvr by Molmil
CryoEM structure of E.coli transcription elongation complex
Descriptor: DNA (53-MER), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
Authors:Duan, W, Serganov, A.
Deposit date:2023-01-19
Release date:2023-04-05
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.42 Å)
Cite:Control of transcription elongation and DNA repair by alarmone ppGpp.
Nat.Struct.Mol.Biol., 30, 2023
8FVW
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BU of 8fvw by Molmil
CryoEM structure of E.coli transcription elongation complex bound to ppGpp
Descriptor: DNA (53-MER), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
Authors:Duan, W, Serganov, A.
Deposit date:2023-01-19
Release date:2023-04-05
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.1 Å)
Cite:Control of transcription elongation and DNA repair by alarmone ppGpp.
Nat.Struct.Mol.Biol., 30, 2023
6SZ5
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BU of 6sz5 by Molmil
Human calmodulin bound to a peptide of human NADPH oxidase 5
Descriptor: CALCIUM ION, Calmodulin-2, NADPH oxidase 5
Authors:Millana, E, Mattevi, A.
Deposit date:2019-10-02
Release date:2019-12-11
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:On the mechanism of calcium-dependent activation of NADPH oxidase 5 (NOX5).
Febs J., 287, 2020
8GJS
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BU of 8gjs by Molmil
Stapled Peptide ALRN-6924 Bound to MDMX
Descriptor: ACE-LEU-THR-PHE-ALA-GLU-TYR-TRP-ALA-GLN-LEU-DAL-ALA-ALA-ALA-ALA-ALA-DAL, Protein Mdm4
Authors:Graves, B.J, Janson, C, Lukacs, C.
Deposit date:2023-03-16
Release date:2023-07-26
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Discovery of Sulanemadlin (ALRN-6924), the First Cell-Permeating, Stabilized alpha-Helical Peptide in Clinical Development.
J.Med.Chem., 66, 2023
5O0X
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BU of 5o0x by Molmil
Crystal structure of dehydrogenase domain of Cylindrospermum stagnale NADPH-Oxidase 5 (NOX5)
Descriptor: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Magnani, F, Nenci, S, Mattevi, A.
Deposit date:2017-05-17
Release date:2017-06-28
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structures and atomic model of NADPH oxidase.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5O0T
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BU of 5o0t by Molmil
CRYSTAL STRUCTURE OF TRANS-MEMBRANE DOMAIN OF Cylindrospermum stagnale NADPH-OXIDASE 5 (NOX5)
Descriptor: DECANE, DI(HYDROXYETHYL)ETHER, EICOSANE, ...
Authors:Magnani, F, Nenci, S, Mattevi, A.
Deposit date:2017-05-17
Release date:2017-06-28
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structures and atomic model of NADPH oxidase.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
6B8J
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BU of 6b8j by Molmil
Co-structure of human glycogen synthase kinase beta with a selective (5-imidazol-2-yl-4-phenylpyrimidin-2-yl)[2-(2-pyridylamino)ethyl]amine inhibitor
Descriptor: CHIR99021, GLYCEROL, Glycogen synthase kinase-3 beta, ...
Authors:Bussiere, D.E.
Deposit date:2017-10-08
Release date:2017-11-08
Method:X-RAY DIFFRACTION (2.595 Å)
Cite:Synthesis, Binding Mode, and Antihyperglycemic Activity of Potent and Selective (5-Imidazol-2-yl-4-phenylpyrimidin-2-yl)[2-(2-pyridylamino)ethyl]amine Inhibitors of Glycogen Synthase Kinase 3.
J. Med. Chem., 60, 2017
3MIF
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BU of 3mif by Molmil
Oxidized (Cu2+) peptidylglycine alpha-hydroxylating monooxygenase (PHM) with bound carbon monooxide (CO)
Descriptor: CARBON MONOXIDE, COPPER (II) ION, GLYCEROL, ...
Authors:Siebert, X, Chufan, E, Eipper, B.A, Mains, R.E, Amzel, L.M.
Deposit date:2010-04-10
Release date:2010-11-24
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Differential Reactivity Between the Two Copper Sites of Peptidylglycine alpha-Hydroxylating Monooxygenase (PHM)
J.Am.Chem.Soc., 132, 2010

224004

數據於2024-08-21公開中

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