6P3V
 
 | | Crystal structure of Eis from Mycobacterium tuberculosis in complex with inhibitor SGT416 | | Descriptor: | DIMETHYL SULFOXIDE, N,N-diethyl-2-[(8-fluoro-5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethan-1-amine, N-acetyltransferase Eis, ... | | Authors: | Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V. | | Deposit date: | 2019-05-24 | | Release date: | 2019-09-04 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Probing the Robustness of Inhibitors of Tuberculosis Aminoglycoside Resistance Enzyme Eis by Mutagenesis.
Acs Infect Dis., 5, 2019
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6OZX
 | | Wild type GapR crystal structure 1 from C. crescentus | | Descriptor: | UPF0335 protein CC_3319 | | Authors: | Tarry, M, Harmel, C, Taylor, J.A, Marczynski, G.T, Schmeing, T.M. | | Deposit date: | 2019-05-16 | | Release date: | 2019-11-27 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.851 Å) | | Cite: | Structures of GapR reveal a central channel which could accommodate B-DNA.
Sci Rep, 9, 2019
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3IDC
 | | Crystal structure of (102-265)RIIb:C holoenzyme of cAMP-dependent protein kinase | | Descriptor: | MANGANESE (II) ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, cAMP-dependent protein kinase catalytic subunit alpha, ... | | Authors: | Brown, S.H.J, Wu, J, Kim, C, Alberto, K, Taylor, S.S. | | Deposit date: | 2009-07-20 | | Release date: | 2009-09-29 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Novel isoform-specific interfaces revealed by PKA RIIbeta holoenzyme structures.
J.Mol.Biol., 393, 2009
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4XLN
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4XP3
 | | Crystal structure of ERK2 in complex with an inhibitor | | Descriptor: | 2-amino-1,9-dihydro-6H-purine-6-thione, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, ... | | Authors: | Gelin, M, Allemand, F, Labesse, G, Guichou, J.F. | | Deposit date: | 2015-01-16 | | Release date: | 2015-08-12 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.782 Å) | | Cite: | Combining `dry' co-crystallization and in situ diffraction to facilitate ligand screening by X-ray crystallography.
Acta Crystallogr.,Sect.D, 71, 2015
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6PPR
 | | Cryo-EM structure of AdnA(D934A)-AdnB(D1014A) in complex with AMPPNP and DNA | | Descriptor: | ATP-dependent DNA helicase (UvrD/REP), DNA (70-MER), IRON/SULFUR CLUSTER, ... | | Authors: | Jia, N, Unciuleac, M, Shuman, S, Patel, D.J. | | Deposit date: | 2019-07-08 | | Release date: | 2019-11-20 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Structures and single-molecule analysis of bacterial motor nuclease AdnAB illuminate the mechanism of DNA double-strand break resection.
Proc.Natl.Acad.Sci.USA, 116, 2019
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5SWD
 | | Structure of the adenine riboswitch aptamer domain in an intermediate-bound state | | Descriptor: | ADENINE, MAGNESIUM ION, Vibrio vulnificus strain 93U204 chromosome II, ... | | Authors: | Stagno, J.R, Wang, Y.-X, Liu, Y, Bhandari, Y.R, Conrad, C.E, Nelson, G, Li, C, Wendel, D.R, White, T.A, Barty, A, Tuckey, R.A, Zatsepin, N.A, Grant, T.D, Fromme, P, Tan, K, Ji, X, Spence, J.C.H. | | Deposit date: | 2016-08-08 | | Release date: | 2016-11-23 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structures of riboswitch RNA reaction states by mix-and-inject XFEL serial crystallography.
Nature, 541, 2017
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4XAX
 | | Crystal structure of Thermus thermophilus CarD in complex with the Thermus aquaticus RNA polymerase beta1 domain | | Descriptor: | 1,2-ETHANEDIOL, CarD, DNA-directed RNA polymerase subunit beta domain 1 | | Authors: | Chen, J, Bae, B, Campbell, E.A, Darst, S.A. | | Deposit date: | 2014-12-15 | | Release date: | 2015-09-16 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.404 Å) | | Cite: | CarD uses a minor groove wedge mechanism to stabilize the RNA polymerase open promoter complex.
Elife, 4, 2015
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4X9Z
 | | Dimeric conotoxin alphaD-GeXXA | | Descriptor: | alphaD-conotoxin GeXXA from the venom of Conus generalis | | Authors: | Xu, S, Zhang, T, Kompella, S, Adams, D, Ding, J, Wang, C. | | Deposit date: | 2014-12-12 | | Release date: | 2015-12-02 | | Last modified: | 2020-02-05 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Conotoxin alpha D-GeXXA utilizes a novel strategy to antagonize nicotinic acetylcholine receptors
Sci Rep, 5, 2015
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5SWE
 | | Ligand-bound structure of adenine riboswitch aptamer domain converted in crystal from its ligand-free state using ligand mixing serial femtosecond crystallography | | Descriptor: | ADENINE, Vibrio vulnificus strain 93U204 chromosome II, adenine riboswitch aptamer domain | | Authors: | Stagno, J.R, Wang, Y.-X, Liu, Y, Bhandari, Y.R, Conrad, C.E, Nelson, G, Li, C, Wendel, D.R, White, T.A, Barty, A, Tuckey, R.A, Zatsepin, N.A, Grant, T.D, Fromme, P, Tan, K, Ji, X, Spence, J.C.H. | | Deposit date: | 2016-08-08 | | Release date: | 2016-11-23 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structures of riboswitch RNA reaction states by mix-and-inject XFEL serial crystallography.
Nature, 541, 2017
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6P3U
 | | Crystal structure of Eis from Mycobacterium tuberculosis in complex with inhibitor SGT335 | | Descriptor: | 1-(4-fluorophenyl)-2-[2-(4-fluorophenyl)-2-oxoethyl]pyrrolo[1,2-a]pyrazin-2-ium, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V. | | Deposit date: | 2019-05-24 | | Release date: | 2019-09-04 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Probing the Robustness of Inhibitors of Tuberculosis Aminoglycoside Resistance Enzyme Eis by Mutagenesis.
Acs Infect Dis., 5, 2019
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5U9F
 | | 3.2 A cryo-EM ArfA-RF2 ribosome rescue complex (Structure II) | | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | | Authors: | Demo, G, Svidritskiy, E, Madireddy, R, Diaz-Avalos, R, Grant, T, Grigorieff, N, Sousa, D, Korostelev, A.A. | | Deposit date: | 2016-12-16 | | Release date: | 2017-03-22 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Mechanism of ribosome rescue by ArfA and RF2.
Elife, 6, 2017
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3IXE
 | | Structural basis of competition between PINCH1 and PINCH2 for binding to the ankyrin repeat domain of integrin-linked kinase | | Descriptor: | Integrin-linked protein kinase, LIM and senescent cell antigen-like-containing domain protein 2, ZINC ION | | Authors: | Chiswell, B.P, Stiegler, A.L, Boggon, T.J, Calderwood, D.A. | | Deposit date: | 2009-09-03 | | Release date: | 2009-12-15 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural basis of competition between PINCH1 and PINCH2 for binding to the ankyrin repeat domain of integrin-linked kinase.
J.Struct.Biol., 170, 2010
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5U9G
 | | 3.2 A cryo-EM ArfA-RF2 ribosome rescue complex (Structure I) | | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | | Authors: | Demo, G, Svidritskiy, E, Madireddy, R, Diaz-Avalos, R, Grant, T, Grigorieff, N, Sousa, D, Korostelev, A.A. | | Deposit date: | 2016-12-16 | | Release date: | 2017-03-22 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Mechanism of ribosome rescue by ArfA and RF2.
Elife, 6, 2017
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4XJE
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3WE2
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6PEB
 | | Crystal Structure of human NAMPT in complex with NVP-LTM976 | | Descriptor: | N-{4-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]phenyl}-3-(pyridin-3-yl)azetidine-1-carboxamide, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION | | Authors: | Weihofen, W.A. | | Deposit date: | 2019-06-20 | | Release date: | 2019-12-04 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.46 Å) | | Cite: | Scaffold Morphing Identifies 3-Pyridyl Azetidine Ureas as Inhibitors of Nicotinamide Phosphoribosyltransferase (NAMPT).
Acs Med.Chem.Lett., 10, 2019
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4XNE
 | | Crystal structure of ERK2 in complex with an inhibitor | | Descriptor: | 1-phenyl-1H-1,2,4-triazole-3,5-diamine, Mitogen-activated protein kinase 1, SULFATE ION | | Authors: | Gelin, M, Allemand, F, Labesse, G, Guichou, J.F. | | Deposit date: | 2015-01-15 | | Release date: | 2015-08-12 | | Last modified: | 2015-08-19 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Combining `dry' co-crystallization and in situ diffraction to facilitate ligand screening by X-ray crystallography.
Acta Crystallogr.,Sect.D, 71, 2015
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6PPJ
 | | Cryo-EM structure of AdnA(D934A)-AdnB(D1014A) in complex with AMPPNP | | Descriptor: | ATP-dependent DNA helicase (UvrD/REP), IRON/SULFUR CLUSTER, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | Authors: | Jia, N, Unciuleac, M, Shuman, S, Patel, D.J. | | Deposit date: | 2019-07-07 | | Release date: | 2019-11-20 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Structures and single-molecule analysis of bacterial motor nuclease AdnAB illuminate the mechanism of DNA double-strand break resection.
Proc.Natl.Acad.Sci.USA, 116, 2019
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5TZA
 | | CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 2A WITH 3-{5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl-1-[(naphthalene-2-yl)carbonyl]piperidine | | Descriptor: | MAGNESIUM ION, ZINC ION, [(3S)-3-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl](naphthalen-2-yl)methanone, ... | | Authors: | Xu, R, Aertgeerts, K. | | Deposit date: | 2016-11-21 | | Release date: | 2017-02-22 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Design and Synthesis of Novel and Selective Phosphodiesterase 2 (PDE2a) Inhibitors for the Treatment of Memory Disorders.
J. Med. Chem., 60, 2017
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3IUG
 | | Crystal structure of the RhoGAP domain of RICS | | Descriptor: | Rho/Cdc42/Rac GTPase-activating protein RICS, UNKNOWN ATOM OR ION | | Authors: | Nedyalkova, L, Tempel, W, Tong, Y, Li, Y, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2009-08-31 | | Release date: | 2009-09-29 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Crystal structure of the RhoGAP domain of RICS
to be published
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6OZY
 | | Wild type GapR crystal structure 2 from C. crescentus | | Descriptor: | CADMIUM ION, UPF0335 protein CC_3319 | | Authors: | Tarry, M, Harmel, C, Taylor, J.A, Marczynski, G.T, Schmeing, T.M. | | Deposit date: | 2019-05-16 | | Release date: | 2019-11-27 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.014 Å) | | Cite: | Structures of GapR reveal a central channel which could accommodate B-DNA.
Sci Rep, 9, 2019
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6P0E
 | | Human DNA Ligase 1 (E346A,E592A) bound to adenylated DNA containing an 8-oxo guanine:adenine base-pair | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE MONOPHOSPHATE, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Schellenberg, M.J, Williams, R.S, Tumbale, P.S, Riccio, A.A. | | Deposit date: | 2019-05-16 | | Release date: | 2019-12-11 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Two-tiered enforcement of high-fidelity DNA ligation.
Nat Commun, 10, 2019
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4XHV
 | | Crystal structure of Drosophila Spinophilin-PDZ and a C-terminal peptide of Neurexin | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, LP20995p, ... | | Authors: | Driller, J.H, Muhammad, K.G.H, Reddy, S, Rey, U, Boehme, M.A, Hollmann, C, Ramesh, N, Depner, H, Luetzkendorf, J, Matkovic, T, Bergeron, D, Quentin, C, Schmoranzer, J, Goettfert, F, Holt, M, Wahl, M.C, Hell, S.W, Walter, A, Sigrist, S.J, Loll, B. | | Deposit date: | 2015-01-06 | | Release date: | 2015-07-01 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.23 Å) | | Cite: | Presynaptic spinophilin tunes neurexin signalling to control active zone architecture and function.
Nat Commun, 6, 2015
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4XLQ
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