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7K3L
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BU of 7k3l by Molmil
Crystal structure of dLC8 in complex with Panoramix TQ peptide
Descriptor: 1,2-ETHANEDIOL, Dynein light chain 1, cytoplasmic, ...
Authors:Wang, J, Patel, D.J.
Deposit date:2020-09-11
Release date:2021-03-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Molecular principles of Piwi-mediated cotranscriptional silencing through the dimeric SFiNX complex.
Genes Dev., 35, 2021
7EO4
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BU of 7eo4 by Molmil
Cryo-EM of Sphingosine 1-phosphate receptor 1 / Gi complex bound to BAF312
Descriptor: 1-[[4-[(~{E})-~{N}-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-~{C}-methyl-carbonimidoyl]-2-ethyl-phenyl]methyl]azetidine-3-carboxylic acid, 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:He, Y, Xu, Z, Ikuta, T, Inoue, A.
Deposit date:2021-04-21
Release date:2022-01-05
Last modified:2022-03-16
Method:ELECTRON MICROSCOPY (2.86 Å)
Cite:Structural basis of sphingosine-1-phosphate receptor 1 activation and biased agonism.
Nat.Chem.Biol., 18, 2022
2L3Y
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BU of 2l3y by Molmil
Solution structure of mouse IL-6
Descriptor: Interleukin-6
Authors:Veverka, V, Redpath, N.T, Carrington, B, Muskett, F.W, Taylor, R.J, Henry, A.J, Carr, M.D.
Deposit date:2010-09-25
Release date:2011-09-28
Last modified:2013-01-02
Method:SOLUTION NMR
Cite:Conservation of functional sites on interleukin-6 and implications for evolution of signaling complex assembly and therapeutic intervention.
J.Biol.Chem., 287, 2012
4DTJ
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BU of 4dtj by Molmil
RB69 DNA Polymerase Ternary Complex with dTTP Opposite an Abasic Site and ddT/dA as the Penultimate Base-pair
Descriptor: CALCIUM ION, DNA polymerase, DNA primer, ...
Authors:Xia, S, Wang, J, Konigsberg, W.H.
Deposit date:2012-02-21
Release date:2012-06-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Contribution of Partial Charge Interactions and Base Stacking to the Efficiency of Primer Extension at and beyond Abasic Sites in DNA.
Biochemistry, 51, 2012
4DTO
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BU of 4dto by Molmil
RB69 DNA Polymerase Ternary Complex with dCTP Opposite an Abasic Site and ddA/dT as the Penultimate Base-pair
Descriptor: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA polymerase, ...
Authors:Xia, S, Wang, J, Konigsberg, W.H.
Deposit date:2012-02-21
Release date:2012-06-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Contribution of Partial Charge Interactions and Base Stacking to the Efficiency of Primer Extension at and beyond Abasic Sites in DNA.
Biochemistry, 51, 2012
5CFU
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BU of 5cfu by Molmil
Crystal Structure of ANT(2")-Ia in complex with adenylyl-2"-tobramycin
Descriptor: 1,4-BUTANEDIOL, Aminoglycoside Nucleotidyltransferase (2")-Ia, MANGANESE (II) ION, ...
Authors:Rodionov, D, Bassenden, A.V, Berghuis, A.M.
Deposit date:2015-07-08
Release date:2016-07-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Revisiting the Catalytic Cycle and Kinetic Mechanism of AminoglycosideO-Nucleotidyltransferase(2′′): A Structural and Kinetic Study.
Acs Chem.Biol., 2020
7CTF
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BU of 7ctf by Molmil
Human origin recognition complex 1-5 State II
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Origin recognition complex subunit 1, Origin recognition complex subunit 2, ...
Authors:Cheng, J, Li, N, Wang, X, Hu, J, Zhai, Y, Gao, N.
Deposit date:2020-08-18
Release date:2021-01-06
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (4.8 Å)
Cite:Structural insight into the assembly and conformational activation of human origin recognition complex.
Cell Discov, 6, 2020
2R6M
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BU of 2r6m by Molmil
Crystal structure of rat CK2-beta subunit
Descriptor: Casein kinase II subunit beta, ZINC ION
Authors:Shen, Y.
Deposit date:2007-09-06
Release date:2008-09-23
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Crystal structures of catalytic and regulatory subunits of rat protein kinase CK2
CHIN.SCI.BULL., 54, 2009
7XBD
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BU of 7xbd by Molmil
Cryo-EM structure of human galanin receptor 2
Descriptor: Galanin, Galanin receptor type 2, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Ishimoto, N, Kita, S, Park, S.Y.
Deposit date:2022-03-21
Release date:2022-07-13
Last modified:2022-08-10
Method:ELECTRON MICROSCOPY (3.11 Å)
Cite:Structure of the human galanin receptor 2 bound to galanin and Gq reveals the basis of ligand specificity and how binding affects the G-protein interface.
Plos Biol., 20, 2022
3DDQ
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BU of 3ddq by Molmil
Structure of phosphorylated Thr160 CDK2/cyclin A in complex with the inhibitor roscovitine
Descriptor: Cell division protein kinase 2, Cyclin-A2, MONOTHIOGLYCEROL, ...
Authors:Echalier, A, Endicott, J.A.
Deposit date:2008-06-06
Release date:2008-07-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:CR8, a potent and selective, roscovitine-derived inhibitor of cyclin-dependent kinases.
Oncogene, 27, 2008
3DDP
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BU of 3ddp by Molmil
Structure of phosphorylated Thr160 CDK2/cyclin A in complex with the inhibitor CR8
Descriptor: (2R)-2-({9-(1-methylethyl)-6-[(4-pyridin-2-ylbenzyl)amino]-9H-purin-2-yl}amino)butan-1-ol, Cell division protein kinase 2, Cyclin-A2
Authors:Echalier, A, Endicott, J.A.
Deposit date:2008-06-06
Release date:2008-07-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:CR8, a potent and selective, roscovitine-derived inhibitor of cyclin-dependent kinases.
Oncogene, 27, 2008
8USS
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BU of 8uss by Molmil
IL17A complexed to Compound 7
Descriptor: 4,5-dichloro-N-[(1S)-1-cyclohexyl-2-{[(3S)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]amino}-2-oxoethyl]-1H-pyrrole-2-carboxamide, CHLORIDE ION, Interleukin-17A
Authors:Argiriadi, M.A, Ramos, A.L.
Deposit date:2023-10-29
Release date:2024-04-03
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Discovery of Small Molecule Interleukin 17A Inhibitors with Novel Binding Mode and Stoichiometry: Optimization of DNA-Encoded Chemical Library Hits to In Vivo Active Compounds.
J.Med.Chem., 67, 2024
5NSD
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BU of 5nsd by Molmil
Co-crystal structure of NAMPT dimer with KPT-9274
Descriptor: (~{E})-3-(6-azanylpyridin-3-yl)-~{N}-[[5-[4-[4,4-bis(fluoranyl)piperidin-1-yl]carbonylphenyl]-7-(4-fluorophenyl)-1-benzofuran-2-yl]methyl]prop-2-enamide, GLYCEROL, Nicotinamide phosphoribosyltransferase, ...
Authors:Neggers, J.E, Kwanten, B, Dierckx, T, Noguchi, H, Voet, A, Vercruysse, T, Baloglu, E, Senapedis, W, Jacquemyn, M, Daelemans, D.
Deposit date:2017-04-26
Release date:2018-02-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.046 Å)
Cite:Target identification of small molecules using large-scale CRISPR-Cas mutagenesis scanning of essential genes.
Nat Commun, 9, 2018
8USR
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BU of 8usr by Molmil
IL17A homodimer complexed to Compound 23
Descriptor: Interleukin-17A, ~{N}-[(2~{S})-1-[[(1~{S})-1-(8~{a}~{H}-imidazo[1,2-a]pyrimidin-2-yl)ethyl]amino]-1-oxidanylidene-4-phenyl-butan-2-yl]-4,5-bis(chloranyl)-1~{H}-pyrrole-2-carboxamide
Authors:Argiriadi, M.A, Ramos, A.L.
Deposit date:2023-10-29
Release date:2024-04-03
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Discovery of Small Molecule Interleukin 17A Inhibitors with Novel Binding Mode and Stoichiometry: Optimization of DNA-Encoded Chemical Library Hits to In Vivo Active Compounds.
J.Med.Chem., 67, 2024
7WF7
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BU of 7wf7 by Molmil
Cryo-EM of Sphingosine 1-phosphate receptor 1 / Gi complex bound to S1P
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:He, Y, Xu, Z.
Deposit date:2021-12-26
Release date:2022-01-05
Last modified:2022-03-16
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural basis of sphingosine-1-phosphate receptor 1 activation and biased agonism.
Nat.Chem.Biol., 18, 2022
2YB1
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BU of 2yb1 by Molmil
Structure of an amidohydrolase from Chromobacterium violaceum (EFI target EFI-500202) with bound Mn, AMP and phosphate.
Descriptor: ADENOSINE MONOPHOSPHATE, AMIDOHYDROLASE, MANGANESE (II) ION, ...
Authors:Vetting, M.W, Hillerich, B, Foti, R, Seidel, R.D, Zencheck, W.D, Toro, R, Imker, H.J, Raushel, F.M, Gerlt, J.A, Almo, S.C.
Deposit date:2011-02-25
Release date:2011-03-16
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.898 Å)
Cite:Prospecting for Unannotated Enzymes: Discovery of a 3',5'-Nucleotide Bisphosphate Phosphatase within the Amidohydrolase Superfamily.
Biochemistry, 53, 2014
4IAC
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BU of 4iac by Molmil
X-RAY structure of cAMP dependent protein kinase A in complex with HIGH MG2+ concentration, AMP-PCP AND pseudo-substrate peptide SP20
Descriptor: MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, Peptide SP20, ...
Authors:Gerlits, O, Kovalevsky, A.
Deposit date:2012-12-06
Release date:2013-06-12
Last modified:2016-09-21
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Insights into the Phosphoryl Transfer Catalyzed by cAMP-Dependent Protein Kinase: An X-ray Crystallographic Study of Complexes with Various Metals and Peptide Substrate SP20.
Biochemistry, 52, 2013
4IAI
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BU of 4iai by Molmil
X-ray Structure of cAMP dependent protein kinase A in complex with high Ca2+ concentration, ADP and phosphorylated peptide pSP20
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, CARBONATE ION, ...
Authors:Gerlits, O, Kovalevsky, A.
Deposit date:2012-12-06
Release date:2013-06-12
Last modified:2013-12-18
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Insights into the Phosphoryl Transfer Catalyzed by cAMP-Dependent Protein Kinase: An X-ray Crystallographic Study of Complexes with Various Metals and Peptide Substrate SP20.
Biochemistry, 52, 2013
4IB3
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BU of 4ib3 by Molmil
Structure of cAMP dependent protein kinase A in complex with ADP, phosphorylated peptide pSP20, and no metal
Descriptor: ADENOSINE-5'-DIPHOSPHATE, cAMP-dependent protein kinase catalytic subunit alpha, phosphorylated pseudo-substrate peptide pSP20
Authors:Gerlits, O, Kovalevsky, A.
Deposit date:2012-12-07
Release date:2013-12-11
Last modified:2014-05-28
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Metal-Free cAMP-Dependent Protein Kinase Can Catalyze Phosphoryl Transfer.
Biochemistry, 53, 2014
4IB1
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BU of 4ib1 by Molmil
Structure of cAMP dependent protein kinase A in complex with high K+ concentration, ADP and phosphorylated peptide pSP20
Descriptor: ADENOSINE-5'-DIPHOSPHATE, POTASSIUM ION, cAMP-dependent protein kinase catalytic subunit alpha, ...
Authors:Gerlits, O, Kovalevsky, A.
Deposit date:2012-12-07
Release date:2013-12-11
Last modified:2014-05-28
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Metal-Free cAMP-Dependent Protein Kinase Can Catalyze Phosphoryl Transfer.
Biochemistry, 53, 2014
4IAD
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BU of 4iad by Molmil
Low temperature X-ray Structure OF cAMP dependent protein kinase A in complex with high Mg2+ concentration, ADP and phosphorylated peptide pSP20
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Phosphorylated peptide pSP20, ...
Authors:Gerlits, O, Kovalevsky, A.
Deposit date:2012-12-06
Release date:2013-06-12
Last modified:2016-09-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Insights into the Phosphoryl Transfer Catalyzed by cAMP-Dependent Protein Kinase: An X-ray Crystallographic Study of Complexes with Various Metals and Peptide Substrate SP20.
Biochemistry, 52, 2013
4IB0
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BU of 4ib0 by Molmil
X-ray Structure of cAMP dependent protein kinase A in complex with high Na+ concentration, ADP and phosphorylated peptide pSP20
Descriptor: ADENOSINE-5'-DIPHOSPHATE, SODIUM ION, cAMP-dependent protein kinase catalytic subunit alpha, ...
Authors:Gerlits, O, Kovalevsky, A.
Deposit date:2012-12-07
Release date:2013-12-11
Last modified:2014-05-28
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Metal-Free cAMP-Dependent Protein Kinase Can Catalyze Phosphoryl Transfer.
Biochemistry, 53, 2014
4IAZ
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BU of 4iaz by Molmil
Structure of cAMP dependent protein kinase A in complex with high Ba2+ concentration, ADP and phosphorylated peptide pSP20
Descriptor: ADENOSINE-5'-DIPHOSPHATE, BARIUM ION, cAMP-dependent protein kinase catalytic subunit alpha, ...
Authors:Gerlits, O, Kovalevsky, A.
Deposit date:2012-12-07
Release date:2013-06-12
Last modified:2013-12-18
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Insights into the Phosphoryl Transfer Catalyzed by cAMP-Dependent Protein Kinase: An X-ray Crystallographic Study of Complexes with Various Metals and Peptide Substrate SP20.
Biochemistry, 52, 2013
4O19
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BU of 4o19 by Molmil
The crystal structure of a mutant NAMPT (G217V)
Descriptor: 1,2-ETHANEDIOL, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION
Authors:Oh, A, Coons, M, Brillantes, B, Wang, W.
Deposit date:2013-12-15
Release date:2014-10-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors.
Plos One, 9, 2014
7C9O
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BU of 7c9o by Molmil
Crystal structure of DNA-bound CCT/NF-YB/YC complex (HD1CCT/GHD8/OsNF-YC2)
Descriptor: DNA (25-MER), Nuclear transcription factor Y subunit B-11, Nuclear transcription factor Y subunit C-2, ...
Authors:Shen, C, Liu, H, Guan, Z, Xing, Y, Yin, P.
Deposit date:2020-06-06
Release date:2020-09-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structural Insight into DNA Recognition by CCT/NF-YB/YC Complexes in Plant Photoperiodic Flowering.
Plant Cell, 32, 2020

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数据于2024-08-07公开中

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