6CQA
 
 | | E. coli DHFR complex with inhibitor AMPQD | | Descriptor: | 7-[(3-aminophenyl)methyl]-7H-pyrrolo[3,2-f]quinazoline-1,3-diamine, Dihydrofolate reductase, SULFATE ION | | Authors: | Cao, H, Rodrigues, J, Benach, J, Wasserman, S, Morisco, L, Koss, J, Shakhnovich, E, Skolnick, J. | | Deposit date: | 2018-03-14 | | Release date: | 2019-01-09 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The crystal structure of a tetrahydrofolate-bound dihydrofolate reductase reveals the origin of slow product release.
Commun Biol, 1, 2018
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7W4Z
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5DG8
 | | CRYSTAL STRUCTURE OF HUMAN DNA POLYMERASE ETA INSERTING dAMPNPP ACROSS A DNA TEMPLATE CONTAINING 1,N6-ETHENODEOXYADENOSINE LESION | | Descriptor: | 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine, DNA (5'-D(*AP*GP*CP*GP*TP*CP*AP*T)-3'), DNA (5'-D(*CP*AP*TP*(EDA)P*AP*TP*GP*AP*CP*GP*CP*T)-3'), ... | | Authors: | Patra, A, Egli, M. | | Deposit date: | 2015-08-27 | | Release date: | 2016-06-08 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Structural and Kinetic Analysis of Miscoding Opposite the DNA Adduct 1,N6-Ethenodeoxyadenosine by Human Translesion DNA Polymerase eta.
J.Biol.Chem., 291, 2016
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4ZIR
 | | Crystal structure of EcfAA' heterodimer bound to AMPPNP | | Descriptor: | CHLORIDE ION, Energy-coupling factor transporter ATP-binding protein EcfA1, Energy-coupling factor transporter ATP-binding protein EcfA2, ... | | Authors: | Karpowich, N.K, Cocco, N, Song, J.M, Wang, D.N. | | Deposit date: | 2015-04-28 | | Release date: | 2015-06-10 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | ATP binding drives substrate capture in an ECF transporter by a release-and-catch mechanism.
Nat.Struct.Mol.Biol., 22, 2015
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4FE1
 | | Improving the Accuracy of Macromolecular Structure Refinement at 7 A Resolution | | Descriptor: | 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ... | | Authors: | Fromme, R, Adams, P.D, Fromme, P, Levitt, M, Schroeder, G.F, Brunger, A.T. | | Deposit date: | 2012-05-29 | | Release date: | 2012-08-15 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (4.9228 Å) | | Cite: | Improving the accuracy of macromolecular structure refinement at 7 A resolution.
Structure, 20, 2012
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4U40
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5WKW
 | | Crystal structure of apo wild type peptidylglycine alpha-hydroxylating monooxygenase (PHM) | | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, Peptidyl-glycine alpha-amidating monooxygenase | | Authors: | Maheshwari, S, Rudzka, K, Gabelli, S.B, Amzel, L.M. | | Deposit date: | 2017-07-25 | | Release date: | 2018-07-18 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Effects of copper occupancy on the conformational landscape of peptidylglycine alpha-hydroxylating monooxygenase.
Commun Biol, 1, 2018
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4ZTD
 | | Crystal Structure of Human PCNA in complex with a TRAIP peptide | | Descriptor: | ALA-GLY-ALA-GLY-ALA, ALA-PHE-GLN-ALA-LYS-LEU-ASP-THR-PHE-LEU-TRP-SER, Proliferating cell nuclear antigen | | Authors: | Montoya, G, Mortuza, G.B, Blanco, F.J, Ibanez de Opakua, A. | | Deposit date: | 2015-05-14 | | Release date: | 2015-12-16 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.199 Å) | | Cite: | TRAIP is a PCNA-binding ubiquitin ligase that protects genome stability after replication stress.
J.Cell Biol., 212, 2016
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3ULY
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6X5M
 | | Crystal structure of a stabilized PAN ENE bimolecular triplex with a GC-clamped polyA tail, in complex with Fab-BL-3,6. | | Descriptor: | Heavy chain Fab Bl-3 6, Light chain Fab BL-3 6, SULFATE ION, ... | | Authors: | Swain, M, Li, M, Wlodawer, A, Le Grice, S.F.J. | | Deposit date: | 2020-05-26 | | Release date: | 2020-06-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Dynamic bulge nucleotides in the KSHV PAN ENE triple helix provide a unique binding platform for small molecule ligands.
Nucleic Acids Res., 49, 2021
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3UQ0
 | | Crystal structure of the post-catalytic product complex of polymerase lambda with an rAMP at the primer terminus. | | Descriptor: | 1,2-ETHANEDIOL, 5'-D(*CP*AP*GP*TP*AP*CP)-R(P*A)-3', 5'-D(*CP*GP*GP*CP*TP*GP*TP*AP*CP*TP*G)-3', ... | | Authors: | Gosavi, R.A, Moon, A.F, Kunkel, T.A, Pedersen, L.C, Bebenek, K. | | Deposit date: | 2011-11-18 | | Release date: | 2012-05-23 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | The catalytic cycle for ribonucleotide incorporation by human DNA Pol lambda
Nucleic Acids Res., 40, 2012
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4Y7B
 | | Factor Xa complex with GTC000441 | | Descriptor: | 6-chloro-N-{(3S)-1-[(2S)-1-{(1R,5S)-7-[2-(methylamino)ethyl]-3,7-diazabicyclo[3.3.1]non-3-yl}-1-oxopropan-2-yl]-2-oxopy rrolidin-3-yl}naphthalene-2-sulfonamide, CALCIUM ION, Coagulation factor X | | Authors: | Convery, M.A, Young, R.J, Senger, S, Hamblin, J.N, Chan, C, Toomey, J.R, Watson, N.S. | | Deposit date: | 2015-02-13 | | Release date: | 2015-09-30 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Factor Xa complex with GTC000441
to be published
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4TZR
 | | 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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5ZLZ
 | | Structure of tPA and PAI-1 | | Descriptor: | GLYCEROL, Plasminogen activator inhibitor 1, Tissue-type plasminogen activator | | Authors: | Min, L, Huang, M. | | Deposit date: | 2018-03-31 | | Release date: | 2019-04-03 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.581 Å) | | Cite: | Development of a PAI-1 trapping agent (PAItrap2) based on inactivated tPA-SPD and the crystal structure of PAItrap2 in complex with PAI-1
To Be Published
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4GH8
 | | Crystal structure of a 'humanized' E. coli dihydrofolate reductase | | Descriptor: | CALCIUM ION, Dihydrofolate reductase, METHOTREXATE, ... | | Authors: | French, J.B, Liu, C.T, Hanoian, P, Pringle, T.H, Hammes-Schiffer, S, Benkovic, S.J. | | Deposit date: | 2012-08-07 | | Release date: | 2013-06-05 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Functional significance of evolving protein sequence in dihydrofolate reductase from bacteria to humans.
Proc.Natl.Acad.Sci.USA, 110, 2013
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4GJR
 | | Crystal structure of the TAL effector dHax3 bound to methylated dsDNA | | Descriptor: | DNA (5'-D(*AP*GP*GP*GP*AP*GP*GP*TP*AP*GP*AP*GP*GP*GP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*CP*CP*CP*TP*(5CM)P*TP*AP*(5CM)P*CP*TP*CP*(5CM)P*CP*T)-3'), Hax3 | | Authors: | Yan, N, Deng, D, Yan, C.Y, Yin, P, Pan, X.J, Shi, Y.G. | | Deposit date: | 2012-08-10 | | Release date: | 2012-10-03 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystal structure of a protein complex
To be Published
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4GG4
 | | Crystal structure of the TAL effector dHax3 bound to specific DNA-RNA hybrid | | Descriptor: | DNA (5'-D(*TP*GP*TP*CP*CP*CP*TP*TP*TP*AP*TP*CP*TP*CP*TP*CP*T)-3'), Hax3, RNA (5'-R(*AP*GP*AP*GP*AP*GP*AP*UP*AP*AP*AP*GP*GP*GP*AP*CP*A)-3') | | Authors: | Yin, P, Deng, D, Yan, C.Y, Pan, X.J, Yan, N, Shi, Y.G. | | Deposit date: | 2012-08-05 | | Release date: | 2012-10-03 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.501 Å) | | Cite: | Specific DNA-RNA hybrid recognition by TAL effectors
Cell Rep, 2, 2012
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7ZUP
 | | Human PRMT5:MEP50 structure with Fragment (Example 18) and MTA Bound | | Descriptor: | 3-ethylimidazo[4,5-b]pyridin-2-amine, 5'-DEOXY-5'-METHYLTHIOADENOSINE, GLYCEROL, ... | | Authors: | Ahmad, M.U, Koelmel, W, Arkhipova, V, Lawson, J.D, Smith, C.R, Gunn, R.J. | | Deposit date: | 2022-05-12 | | Release date: | 2022-10-19 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Fragment optimization and elaboration strategies - the discovery of two lead series of PRMT5/MTA inhibitors from five fragment hits.
Rsc Med Chem, 13, 2022
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8R8L
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5D4Y
 | | A psychrophilic glycoside hydrolase family 10 endo-beta-1,4-xylanase | | Descriptor: | beta-D-xylopyranose-(1-4)-beta-D-xylopyranose, xylanase | | Authors: | Zheng, Y, Guo, R.T. | | Deposit date: | 2015-08-10 | | Release date: | 2016-02-24 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural insight into potential cold adaptation mechanism through a psychrophilic glycoside hydrolase family 10 endo-beta-1,4-xylanase.
J.Struct.Biol., 193, 2016
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6NQA
 | | Active state Dot1L bound to the H2B-Ubiquitinated nucleosome, 1-to-1 complex | | Descriptor: | 601 DNA Strand 1, 601 DNA Strand 2, Histone H2A type 1, ... | | Authors: | Worden, E.J, Hoffmann, N.A, Wolberger, C. | | Deposit date: | 2019-01-19 | | Release date: | 2019-02-20 | | Last modified: | 2020-01-08 | | Method: | ELECTRON MICROSCOPY (3.54 Å) | | Cite: | Mechanism of Cross-talk between H2B Ubiquitination and H3 Methylation by Dot1L.
Cell, 176, 2019
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3UQ2
 | | Crystal structure of the post-catalytic product complex of polymerase lambda with an rCMP inserted opposite a templating G and dAMP inserted opposite a templating T at the primer terminus. | | Descriptor: | 5'-D(*CP*AP*GP*TP*AP)-R(P*CP*A)-3', 5'-D(*CP*GP*GP*CP*TP*GP*TP*AP*CP*TP*G)-3', 5'-D(P*GP*CP*CP*G)-3', ... | | Authors: | Gosavi, R.A, Moon, A.F, Kunkel, T.A, Pedersen, L.C, Bebenek, K. | | Deposit date: | 2011-11-18 | | Release date: | 2012-05-23 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | The catalytic cycle for ribonucleotide incorporation by human DNA Pol lambda
Nucleic Acids Res., 40, 2012
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5XNA
 | | Crystal structure of a secretary abundant heat soluble (SAHS) protein from Ramazzottius varieornatus (from dimer sample) | | Descriptor: | 1,2-ETHANEDIOL, ACETIC ACID, CHLORIDE ION, ... | | Authors: | Fukuda, Y, Miura, Y, Mizohata, E, Inoue, T. | | Deposit date: | 2017-05-19 | | Release date: | 2017-07-26 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.802 Å) | | Cite: | Structural insights into a secretory abundant heat-soluble protein from an anhydrobiotic tardigrade, Ramazzottius varieornatus
FEBS Lett., 591, 2017
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3V51
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3V5P
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