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6ADT
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BU of 6adt by Molmil
Structure of Seneca Valley Virus in neutral condition
Descriptor: VP1, VP2, VP3, ...
Authors:Lou, Z.Y, Cao, L.
Deposit date:2018-08-02
Release date:2019-02-06
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.22 Å)
Cite:Seneca Valley virus attachment and uncoating mediated by its receptor anthrax toxin receptor 1
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6ADS
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BU of 6ads by Molmil
Structure of Seneca Valley Virus in acidic conditions
Descriptor: VP1, VP2, VP3, ...
Authors:Lou, Z.Y, Cao, L.
Deposit date:2018-08-02
Release date:2019-02-06
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (2.84 Å)
Cite:Seneca Valley virus attachment and uncoating mediated by its receptor anthrax toxin receptor 1
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5KX9
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BU of 5kx9 by Molmil
Selective Small Molecule Inhibition of the FMN Riboswitch
Descriptor: (6P)-2-{(3S)-1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-3-yl}-6-(thiophen-2-yl)pyrimidin-4-ol, FMN Riboswitch, MAGNESIUM ION, ...
Authors:Fischmann, T.O.
Deposit date:2016-07-20
Release date:2016-08-24
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Atomic resolution mechanistic studies of ribocil: A highly selective unnatural ligand mimic of the E. coli FMN riboswitch.
Rna Biol., 13, 2016
5YBE
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BU of 5ybe by Molmil
Structure of KANK1/KIF21A complex
Descriptor: 1,2-ETHANEDIOL, KIF21A, Kank1 protein
Authors:Weng, Z.F, Shang, Y, Yao, D.Q, Zhu, J.W, Zhang, R.G.
Deposit date:2017-09-04
Release date:2017-11-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.111 Å)
Cite:Structural analyses of key features in the KANK1/KIF21A complex yield mechanistic insights into the cross-talk between microtubules and the cell cortex.
J. Biol. Chem., 293, 2018
1ZS4
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BU of 1zs4 by Molmil
Structure of bacteriophage lambda cII protein in complex with DNA
Descriptor: DNA - 27mer, Regulatory protein CII
Authors:Jain, D, Kim, Y, Maxwell, K.L, Beasley, S, Gussin, G.N, Edwards, A.M, Darst, S.A.
Deposit date:2005-05-23
Release date:2005-08-23
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal Structure of Bacteriophage lambdacII and Its DNA Complex.
Mol.Cell, 19, 2005
4DGP
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BU of 4dgp by Molmil
The wild-type Src homology 2 (SH2)-domain containing protein tyrosine phosphatase-2 (SHP2)
Descriptor: Tyrosine-protein phosphatase non-receptor type 11
Authors:Yu, Z.H, Xu, J, Walls, C.D, Chen, L, Zhang, S, Wu, L, Wang, L.N, Liu, S.J, Zhang, Z.Y.
Deposit date:2012-01-26
Release date:2013-03-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural and Mechanistic Insights into LEOPARD Syndrome-Associated SHP2 Mutations.
J.Biol.Chem., 288, 2013
4FII
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BU of 4fii by Molmil
Catalytic domain of human PAK4 with RPKPLVDP peptide
Descriptor: Serine/threonine-protein kinase PAK 4
Authors:Ha, B.H, Boggon, T.J.
Deposit date:2012-06-08
Release date:2012-09-12
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Type II p21-activated kinases (PAKs) are regulated by an autoinhibitory pseudosubstrate.
Proc.Natl.Acad.Sci.USA, 109, 2012
1ZA4
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BU of 1za4 by Molmil
Crystal Structure of the Thrombospondin-1 N-terminal Domain in Complex with Arixtra
Descriptor: 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, SULFATE ION, Thrombospondin 1
Authors:Tan, K, Wang, J.H, Lawler, J.
Deposit date:2005-04-05
Release date:2006-01-24
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The Structures of the Thrombospondin-1 N-terminal Domain and its Complex with a Synthetic Pentameric Heparin
Structure, 14, 2006
4NJ3
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BU of 4nj3 by Molmil
Modulating the interaction between CDK2 and Cyclin A with a Quinoline-based inhibitor
Descriptor: 6-(3-chlorophenyl)-2-{[(2S)-3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]carbamoyl}quinoline-4-carboxylic acid, Cyclin-dependent kinase 2
Authors:Fischmann, T.O, Hruza, A.W.
Deposit date:2013-11-08
Release date:2013-11-27
Last modified:2014-01-08
Method:X-RAY DIFFRACTION (1.848 Å)
Cite:Modulating the interaction between CDK2 and cyclin A with a quinoline-based inhibitor.
Bioorg.Med.Chem.Lett., 24, 2014
6C6K
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BU of 6c6k by Molmil
Structural basis for preferential recognition of cap 0 RNA by a human IFIT1-IFIT3 protein complex
Descriptor: Interferon-induced protein with tetratricopeptide repeats 1, Interferon-induced protein with tetratricopeptide repeats 3, MAGNESIUM ION, ...
Authors:Amarasinghe, G.K, Leung, D.W, Johnson, B, Xu, W.
Deposit date:2018-01-18
Release date:2018-04-04
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Human IFIT3 Modulates IFIT1 RNA Binding Specificity and Protein Stability.
Immunity, 48, 2018
4DGX
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BU of 4dgx by Molmil
LEOPARD Syndrome-Associated SHP2/Y279C mutant
Descriptor: Tyrosine-protein phosphatase non-receptor type 11
Authors:Yu, Z.H, Xu, J, Walls, C.D, Chen, L, Zhang, S, Wu, L, Wang, L.N, Liu, S.J, Zhang, Z.Y.
Deposit date:2012-01-27
Release date:2013-03-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural and Mechanistic Insights into LEOPARD Syndrome-Associated SHP2 Mutations.
J.Biol.Chem., 288, 2013
1Z78
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BU of 1z78 by Molmil
Crystal Structure of the Thrombospondin-1 N-terminal domain
Descriptor: Thrombospondin 1
Authors:Tan, K, Wang, J, Lawler, J.
Deposit date:2005-03-24
Release date:2006-01-17
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The structures of the thrombospondin-1 N-terminal domain and its complex with a synthetic pentameric heparin.
Structure, 14, 2006
1ZPQ
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BU of 1zpq by Molmil
STRUCTURE OF BACTERIOPHAGE LAMBDA CII protein
Descriptor: Regulatory protein CII
Authors:Jain, D, Kim, Y, Maxwell, K.L, Beasley, S, Gussin, G.N, Edwards, A.M, Joachimiak, A, Darst, S.A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2005-05-17
Release date:2005-08-23
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal Structure of Bacteriophage lambdacII and Its DNA Complex.
Mol.Cell, 19, 2005
2BBH
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BU of 2bbh by Molmil
X-ray structure of T.maritima CorA soluble domain
Descriptor: DECYL-BETA-D-MALTOPYRANOSIDE, MAGNESIUM ION, SODIUM ION, ...
Authors:Lunin, V.V, Dobrovetsky, E, Khutoreskaya, G, Bochkarev, A, Maguire, M.E, Edwards, A.M, Koth, C.M, Structural Genomics Consortium (SGC)
Deposit date:2005-10-17
Release date:2005-12-13
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structure of the CorA Mg2+ transporter.
Nature, 440, 2006
3NWW
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BU of 3nww by Molmil
P38 Alpha kinase complexed with a 2-aminothiazol-5-yl-pyrimidine based inhibitor
Descriptor: 1-[2-(2-{[2-(dimethylamino)ethyl]amino}-6-{2-[(1-methylethyl)amino]-1,3-thiazol-5-yl}pyrimidin-4-yl)benzyl]-3-ethylurea, Mitogen-activated protein kinase 14
Authors:Sack, J.S.
Deposit date:2010-07-12
Release date:2010-09-08
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Utilization of a nitrogen-sulfur nonbonding interaction in the design of new 2-aminothiazol-5-yl-pyrimidines as p38alpha MAP kinase inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
5GI4
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BU of 5gi4 by Molmil
DEAD-box RNA helicase
Descriptor: ATP-dependent RNA helicase DeaD
Authors:Xu, L, Wang, L, Li, F, Wu, L, Shi, Y.
Deposit date:2016-06-22
Release date:2017-05-31
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.244 Å)
Cite:Insights into the Structure of Dimeric RNA Helicase CsdA and Indispensable Role of Its C-Terminal Regions.
Structure, 25, 2017
5GUT
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BU of 5gut by Molmil
The crystal structure of mouse DNMT1 (731-1602) mutant - N1248A
Descriptor: DNA (cytosine-5)-methyltransferase 1, S-ADENOSYL-L-HOMOCYSTEINE, SULFATE ION, ...
Authors:Chen, S.J, Ye, F.
Deposit date:2016-08-31
Release date:2017-09-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.099 Å)
Cite:Biochemical Studies and Molecular Dynamic Simulations Reveal the Molecular Basis of Conformational Changes in DNA Methyltransferase-1.
ACS Chem. Biol., 13, 2018
5GUV
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BU of 5guv by Molmil
The crystal structure of mouse DNMT1 (731-1602) mutant - R1279D
Descriptor: DNA (cytosine-5)-methyltransferase 1, ZINC ION
Authors:Ye, F, Chen, S.J.
Deposit date:2016-08-31
Release date:2017-08-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.078 Å)
Cite:Biochemical Studies and Molecular Dynamic Simulations Reveal the Molecular Basis of Conformational Changes in DNA Methyltransferase-1.
ACS Chem. Biol., 13, 2018
5GJU
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BU of 5gju by Molmil
DEAD-box RNA helicase
Descriptor: ADENOSINE MONOPHOSPHATE, ATP-dependent RNA helicase DeaD
Authors:Xu, L, Li, F, Wang, L, Shi, Y.
Deposit date:2016-07-02
Release date:2017-05-31
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Insights into the Structure of Dimeric RNA Helicase CsdA and Indispensable Role of Its C-Terminal Regions.
Structure, 25, 2017
7ST4
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BU of 7st4 by Molmil
Calcium-saturated jGCaMP8.410.80
Descriptor: CALCIUM ION, GLYCEROL, L(+)-TARTARIC ACID, ...
Authors:Zhang, Y, Looger, L.L.
Deposit date:2021-11-11
Release date:2022-11-16
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Fast and sensitive GCaMP calcium indicators for imaging neural populations
Nature, 615, 2023
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
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:2024-10-09
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
3M16
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BU of 3m16 by Molmil
Structure of a Transaldolase from Oleispira antarctica
Descriptor: Transaldolase
Authors:Singer, A.U, Kagan, O, Zhang, R, Joachimiak, A, Edwards, A.M, Savchenko, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2010-03-04
Release date:2010-06-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Genome sequence and functional genomic analysis of the oil-degrading bacterium Oleispira antarctica.
Nat Commun, 4, 2013
6IWI
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BU of 6iwi by Molmil
Crystal structure of PDE5A in complex with a novel inhibitor
Descriptor: MAGNESIUM ION, N-[3-(4,5-diethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-4-propoxyphenyl]-2-(4-methylpiperazin-1-yl)acetamide, ZINC ION, ...
Authors:Zhang, X.L, Xu, Y.C.
Deposit date:2018-12-05
Release date:2019-12-11
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.155 Å)
Cite:Pharmacokinetics-Driven Optimization of 4(3 H)-Pyrimidinones as Phosphodiesterase Type 5 Inhibitors Leading to TPN171, a Clinical Candidate for the Treatment of Pulmonary Arterial Hypertension.
J.Med.Chem., 62, 2019
3HY3
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BU of 3hy3 by Molmil
Structure of human MTHFS with 10-formyltetrahydrofolate
Descriptor: 5-formyltetrahydrofolate cyclo-ligase, MAGNESIUM ION, N-({4-[{[(2R,4S,4aR,6S,8aS)-2-amino-4-hydroxydecahydropteridin-6-yl]methyl}(formyl)amino]phenyl}carbonyl)-D-glutamic acid, ...
Authors:Wu, D, Li, Y, Song, G, Cheng, C, Shaw, N, Liu, Z.-J.
Deposit date:2009-06-22
Release date:2009-07-14
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis for the inhibition of human 5,10-methenyltetrahydrofolate synthetase by N10-substituted folate analogues
Cancer Res., 69, 2009

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數據於2024-10-16公開中

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