3H3C
 
 | | Crystal structure of PYK2 in complex with Sulfoximine-substituted trifluoromethylpyrimidine analog | | Descriptor: | 4-{[4-{[(1R,2R)-2-(dimethylamino)cyclopentyl]amino}-5-(trifluoromethyl)pyrimidin-2-yl]amino}-N-methylbenzenesulfonamide, Protein tyrosine kinase 2 beta, SULFATE ION | | Authors: | Han, S, Mistry, A. | | Deposit date: | 2009-04-16 | | Release date: | 2009-05-26 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Sulfoximine-substituted trifluoromethylpyrimidine analogs as inhibitors of proline-rich tyrosine kinase 2 (PYK2) show reduced hERG activity.
Bioorg.Med.Chem.Lett., 19, 2009
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2F5P
 | | MutM crosslinked to undamaged DNA sampling A:T base pair IC2 | | Descriptor: | 5'-D(*AP*GP*GP*TP*AP*GP*AP*CP*TP*TP*GP*GP*AP*CP*GP*C)-3', 5'-D(*TP*GP*CP*G*TP*CP*CP*AP*AP*GP*TP*CP*TP*AP*CP*C)-3', ZINC ION, ... | | Authors: | Banerjee, A, Santos, W.L, Verdine, G.L. | | Deposit date: | 2005-11-26 | | Release date: | 2006-03-07 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of a DNA glycosylase searching for lesions.
Science, 311, 2006
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2EST
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2FT8
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2FT6
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2FT7
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2FTA
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6E2U
 | | MDDEF in complex with MVAPP, AMPPCP and Magnesium | | Descriptor: | (3R)-3-HYDROXY-5-{[(R)-HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}-3-METHYLPENTANOIC ACID, MAGNESIUM ION, Mevalonate diphosphate decarboxylase, ... | | Authors: | Stauffacher, C.V, Chen, C.-L. | | Deposit date: | 2018-07-12 | | Release date: | 2020-01-15 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Visualizing the enzyme mechanism of mevalonate diphosphate decarboxylase.
Nat Commun, 11, 2020
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2J34
 | | CRYSTAL STRUCTURE OF A HUMAN FACTOR XA INHIBITOR COMPLEX | | Descriptor: | 6-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}-1-BENZOTHIOPHENE-2-SULFONAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | | Authors: | Senger, S, Convery, M.A, Chan, C, Watson, N.S. | | Deposit date: | 2006-08-18 | | Release date: | 2006-09-27 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Arylsulfonamides: A Study of the Relationship between Activity and Conformational Preferences for a Series of Factor Xa Inhibitors.
Bioorg.Med.Chem.Lett., 16, 2006
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6XU1
 | | Crystal structure of tetrameric human H215A-SAMHD1 (residues 109-626) with GTP, dAMPNPP and Mg | | Descriptor: | 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, FE (III) ION, ... | | Authors: | Morris, E.R, Kunzelmann, S, Caswell, S.J, Arnold, L.H, Purkiss, A.G, Kelly, G, Taylor, I.A. | | Deposit date: | 2020-01-17 | | Release date: | 2020-06-24 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structures of SAMHD1 inhibitor complexes reveal the mechanism of water-mediated dNTP hydrolysis.
Nat Commun, 11, 2020
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2J38
 | | CRYSTAL STRUCTURE OF A HUMAN FACTOR XA INHIBITOR COMPLEX | | Descriptor: | 5-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}-1-BENZOTHIOPHENE-2-SULFONAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | | Authors: | Senger, S, Convery, M.A, Chan, C, Watson, N.S. | | Deposit date: | 2006-08-18 | | Release date: | 2006-09-27 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Arylsulfonamides: A Study of the Relationship between Activity and Conformational Preferences for a Series of Factor Xa Inhibitors.
Bioorg.Med.Chem.Lett., 16, 2006
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6U6B
 | | Structure of human DNA polymerase beta misinserting dAMPNPP opposite the 5'G of the cisplatin Pt-GG intrastrand crosslink with Manganese in the active site | | Descriptor: | 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine, Cisplatin, DNA (5'-D(*CP*CP*CP*AP*CP*GP*GP*CP*CP*CP*AP*TP*CP*AP*CP*C)-3'), ... | | Authors: | Ouzon-Shubeita, H, Vilas, C.K, Lee, S. | | Deposit date: | 2019-08-29 | | Release date: | 2020-09-09 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.108 Å) | | Cite: | Structural insights into the promutagenic bypass of the major cisplatin-induced DNA lesion.
Biochem.J., 477, 2020
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6E2R
 | | Mechanism of cellular recognition by PCV2 | | Descriptor: | Capsid protein of PCV2 | | Authors: | Khayat, R, Dhindwal, S. | | Deposit date: | 2018-07-12 | | Release date: | 2018-12-26 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Porcine Circovirus 2 Uses a Multitude of Weak Binding Sites To Interact with Heparan Sulfate, and the Interactions Do Not Follow the Symmetry of the Capsid.
J.Virol., 93, 2019
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5M1S
 | | Cryo-EM structure of the E. coli replicative DNA polymerase-clamp-exonuclase-theta complex bound to DNA in the editing mode | | Descriptor: | DNA Primer Strand, DNA Template Strand, DNA polymerase III subunit alpha, ... | | Authors: | Fernandez-Leiro, R, Conrad, J, Scheres, S.H.W, Lamers, M.H. | | Deposit date: | 2016-10-10 | | Release date: | 2017-01-18 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (6.7 Å) | | Cite: | Self-correcting mismatches during high-fidelity DNA replication.
Nat. Struct. Mol. Biol., 24, 2017
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6E32
 | | Capsid protein of PCV2 with N,O6-DISULFO-GLUCOSAMINE | | Descriptor: | 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, Capsid protein of PCV2 | | Authors: | Khayat, R, Dhindwal, S. | | Deposit date: | 2018-07-13 | | Release date: | 2018-12-26 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Porcine Circovirus 2 Uses a Multitude of Weak Binding Sites To Interact with Heparan Sulfate, and the Interactions Do Not Follow the Symmetry of the Capsid.
J.Virol., 93, 2019
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8SXU
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8SXT
 | | Structure of LINE-1 ORF2p with template:primer hybrid | | Descriptor: | DNA primer, LINE-1 retrotransposable element ORF2 protein, MAGNESIUM ION, ... | | Authors: | van Eeuwen, T, Taylor, M.S, Rout, M.P. | | Deposit date: | 2023-05-24 | | Release date: | 2024-01-10 | | Last modified: | 2024-02-14 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structures, functions and adaptations of the human LINE-1 ORF2 protein.
Nature, 626, 2024
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6IFL
 | | Cryo-EM structure of type III-A Csm-NTR complex | | Descriptor: | NTR, Type III-A CRISPR-associated RAMP protein Csm3, Type III-A CRISPR-associated RAMP protein Csm4, ... | | Authors: | You, L, Ma, J, Wang, J, Zhang, X, Wang, Y. | | Deposit date: | 2018-09-20 | | Release date: | 2018-12-12 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.16 Å) | | Cite: | Structure Studies of the CRISPR-Csm Complex Reveal Mechanism of Co-transcriptional Interference
Cell, 176, 2019
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7A0O
 | | NMR structure of flagelliform spidroin (FlagSp) N-terminal domain from Trichonephila clavipes at pH 5.5 | | Descriptor: | Flagelliform spidroin variant 1 | | Authors: | Sarr, M, Kitoka, K, Walsh-White, K.-A, Kaldmae, M, Landreh, M, Rising, A, Johansson, J, Jaudzems, K, Kronqvist, N. | | Deposit date: | 2020-08-10 | | Release date: | 2021-08-18 | | Last modified: | 2024-06-19 | | Method: | SOLUTION NMR | | Cite: | The dimerization mechanism of the N-terminal domain of spider silk proteins is conserved despite extensive sequence divergence.
J.Biol.Chem., 298, 2022
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7A0I
 | | NMR structure of flagelliform spidroin (FlagSp) N-terminal domain from Trichonephila clavipes at pH 7.2 | | Descriptor: | Flagelliform spidroin variant 1 | | Authors: | Sarr, M, Kitoka, K, Walsh-White, K.-A, Kaldmae, M, Landreh, M, Rising, A, Johansson, J, Jaudzems, K, Kronqvist, N. | | Deposit date: | 2020-08-09 | | Release date: | 2021-08-18 | | Last modified: | 2024-06-19 | | Method: | SOLUTION NMR | | Cite: | The dimerization mechanism of the N-terminal domain of spider silk proteins is conserved despite extensive sequence divergence.
J.Biol.Chem., 298, 2022
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6E34
 | | Capsid protein of PCV2 with N,O6-DISULFO-GLUCOSAMINE and 2-O-sulfo-alpha-L-idopyranuronic acid | | Descriptor: | 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, Capsid protein of PCV2 | | Authors: | Khayat, R, Dhindwal, S. | | Deposit date: | 2018-07-13 | | Release date: | 2018-12-26 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Porcine Circovirus 2 Uses a Multitude of Weak Binding Sites To Interact with Heparan Sulfate, and the Interactions Do Not Follow the Symmetry of the Capsid.
J.Virol., 93, 2019
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6E39
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7Z2B
 | | P. berghei kinesin-8B motor domain in AMPPNP state bound to tubulin dimer | | Descriptor: | Detyrosinated tubulin alpha-1B chain, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-8, ... | | Authors: | Liu, T, Shilliday, F, Cook, A.D, Moores, C.A. | | Deposit date: | 2022-02-26 | | Release date: | 2022-11-16 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Mechanochemical tuning of a kinesin motor essential for malaria parasite transmission.
Nat Commun, 13, 2022
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6E30
 | | Mechanism of cellular recognition by PCV2 | | Descriptor: | 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, Capsid protein of PCV2 | | Authors: | Khayat, R, Dhindwal, S. | | Deposit date: | 2018-07-12 | | Release date: | 2018-12-26 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Porcine Circovirus 2 Uses a Multitude of Weak Binding Sites To Interact with Heparan Sulfate, and the Interactions Do Not Follow the Symmetry of the Capsid.
J.Virol., 93, 2019
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2JWW
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