6VPO
 
 | | Cryo-EM structure of microtubule-bound KLP61F motor domain in the AMPPNP state | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-like protein Klp61F, ... | | Authors: | Bodrug, T, Wilson-Kubalek, E.M, Nithianantham, S, Debs, G, Sindelar, C.V, Milligan, R, Al-Bassam, J. | | Deposit date: | 2020-02-04 | | Release date: | 2020-02-19 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (4.4 Å) | | Cite: | The kinesin-5 tail domain directly modulates the mechanochemical cycle of the motor domain for anti-parallel microtubule sliding.
Elife, 9, 2020
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3L08
 | | Structure of Pi3K gamma with a potent inhibitor: GSK2126458 | | Descriptor: | 2,4-difluoro-N-[2-methoxy-5-(4-pyridazin-4-ylquinolin-6-yl)pyridin-3-yl]benzenesulfonamide, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | | Authors: | Elkins, P.A, Marrero, E.M. | | Deposit date: | 2009-12-09 | | Release date: | 2010-06-23 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Discovery of GSK2126458, a Highly Potent Inhibitor of PI3K and the Mammalian Target of Rapamycin.
ACS Med Chem Lett, 1, 2010
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6AT0
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6ASZ
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5ZXB
 | | Crystal structure of ACK1 with compound 10d | | Descriptor: | Activated CDC42 kinase 1, N-{3-[7-{[6-(4-acetylpiperazin-1-yl)pyridin-3-yl]amino}-1-methyl-2-oxo-1,4-dihydropyrimido[4,5-d]pyrimidin-3(2H)-yl]-4-methylphenyl}-3-(trifluoromethyl)benzamide | | Authors: | Hong, E.M, Kim, H.L, Sim, T.B. | | Deposit date: | 2018-05-18 | | Release date: | 2018-09-26 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.198 Å) | | Cite: | First SAR Study for Overriding NRAS Mutant Driven Acute Myeloid Leukemia.
J. Med. Chem., 61, 2018
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3RV9
 | | Structure of a M. tuberculosis Salicylate Synthase, MbtI, in Complex with an Inhibitor with Ethyl R-Group | | Descriptor: | 3-{[(1Z)-1-carboxybut-1-en-1-yl]oxy}-2-hydroxybenzoic acid, Isochorismate synthase/isochorismate-pyruvate lyase mbtI | | Authors: | Chi, G, Bulloch, E.M.M, Manos-Turvey, A, Payne, R.J, Lott, J.S, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2011-05-06 | | Release date: | 2012-05-09 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Implications of binding mode and active site flexibility for inhibitor potency against the salicylate synthase from Mycobacterium tuberculosis
Biochemistry, 51, 2012
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2KQN
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3RV8
 | | Structure of a M. tuberculosis Salicylate Synthase, MbtI, in Complex with an Inhibitor with Cyclopropyl R-Group | | Descriptor: | 3-{[(E)-1-carboxy-2-cyclopropylethenyl]oxy}-2-hydroxybenzoic acid, 3-{[(Z)-1-carboxy-2-cyclopropylethenyl]oxy}-2-hydroxybenzoic acid, Isochorismate synthase/isochorismate-pyruvate lyase mbtI | | Authors: | Chi, G, Bulloch, E.M.M, Manos-Turvey, A, Payne, R.J, Lott, J.S, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2011-05-06 | | Release date: | 2012-05-09 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Implications of binding mode and active site flexibility for inhibitor potency against the salicylate synthase from Mycobacterium tuberculosis
Biochemistry, 51, 2012
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2KW8
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3RV6
 | | Structure of a M. tuberculosis Salicylate Synthase, MbtI, in Complex with an Inhibitor with Phenyl R-Group | | Descriptor: | 3-{[(E)-1-carboxy-2-phenylethenyl]oxy}-2-hydroxybenzoic acid, 3-{[(Z)-1-carboxy-2-phenylethenyl]oxy}-2-hydroxybenzoic acid, Isochorismate synthase/isochorismate-pyruvate lyase mbtI, ... | | Authors: | Chi, G, Bulloch, E.M.M, Manos-Turvey, A, Payne, R.J, Lott, J.S, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2011-05-06 | | Release date: | 2012-05-09 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Implications of binding mode and active site flexibility for inhibitor potency against the salicylate synthase from Mycobacterium tuberculosis
Biochemistry, 51, 2012
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3RV7
 | | Structure of a M. tuberculosis Salicylate Synthase, MbtI, in Complex with an Inhibitor with Isopropyl R-Group | | Descriptor: | 3-{[(1Z)-1-carboxy-3-methylbut-1-en-1-yl]oxy}-2-hydroxybenzoic acid, Isochorismate synthase/isochorismate-pyruvate lyase mbtI | | Authors: | Chi, G, Bulloch, E.M.M, Manos-Turvey, A, Payne, R.J, Lott, J.S, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2011-05-06 | | Release date: | 2012-05-09 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Implications of binding mode and active site flexibility for inhibitor potency against the salicylate synthase from Mycobacterium tuberculosis
Biochemistry, 51, 2012
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2LN7
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2L9E
 | | Solution Structure of the human Anti-codon Stem and loop(hASL) of transfer RNA Lysine 3 (tRNALys3) | | Descriptor: | RNA (5'-R(*GP*CP*AP*GP*AP*CP*UP*(70U)P*UP*UP*(12A)P*AP*UP*CP*UP*GP*C)-3') | | Authors: | Vendeix, F.A.P, Murphy IV, F.V, Cantara, W, Leszczynska, G, Gustilo, E.M, Sproat, B, Malkiewicz, A.A.P, Agris, P.F. | | Deposit date: | 2011-02-08 | | Release date: | 2011-03-02 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Solution Structure of the human Anti-codon Stem and loop(hASL) of transfer RNA Lysine 3 (tRNALys3)
To be Published
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2A7L
 | | Structure of the human hypothetical ubiquitin-conjugating enzyme, LOC55284 | | Descriptor: | Hypothetical ubiquitin-conjugating enzyme LOC55284, SODIUM ION | | Authors: | Walker, J.R, Avvakumov, G.V, Xue, S, Newman, E.M, Mackenzie, F, Weigelt, J, Sundstrom, M, Arrowsmith, C, Edwards, A, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2005-07-05 | | Release date: | 2005-09-06 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | A human ubiquitin conjugating enzyme (E2)-HECT E3 ligase structure-function screen.
Mol Cell Proteomics, 11, 2012
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2A2N
 | | Crystal Structure of the peptidylprolyl isomerase domain of Human PPWD1 | | Descriptor: | GLYCEROL, peptidylprolyl isomerase domain and WD repeat containing 1 | | Authors: | Walker, J.R, Davis, T.L, Newman, E.M, Mackenzie, F, Sundstrom, M, Arrowsmith, C, Edwards, A, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2005-06-22 | | Release date: | 2005-07-05 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | The crystal structure of human WD40 repeat-containing peptidylprolyl isomerase (PPWD1).
Febs J., 275, 2008
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1QKO
 | | HIGH RESOLUTION X-RAY STRUCTURE OF AN EARLY INTERMEDIATE IN THE BACTERIORHODOPSIN PHOTOCYCLE | | Descriptor: | BACTERIORHODOPSIN, RETINAL | | Authors: | Edman, K, Nollert, P, Royant, A, Belrhali, H, Pebay-Peyroula, E, Hajdu, J, Neutze, R, Landau, E.M. | | Deposit date: | 1999-07-30 | | Release date: | 1999-10-24 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | High Resolution X-Ray Structure of an Early Intermediate in the Bacteriorhodopsin Photocycle
Nature, 401, 1999
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1QMZ
 | | PHOSPHORYLATED CDK2-CYCLYIN A-SUBSTRATE PEPTIDE COMPLEX | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CELL DIVISION PROTEIN KINASE 2, G2/MITOTIC-SPECIFIC CYCLIN A, ... | | Authors: | Brown, N.R, Noble, M.E.M, Endicott, J.A, Johnson, L.N. | | Deposit date: | 1999-10-11 | | Release date: | 1999-12-14 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The Structural Basis for Specificity of Substrate and Recruitment Peptides for Cyclin-Dependent Kinases
Nat.Cell Biol., 1, 1999
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1QL6
 | | THE CATALYTIC MECHANISM OF PHOSPHORYLASE KINASE PROBED BY MUTATIONAL STUDIES | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MANGANESE (II) ION, PHOSPHORYLASE KINASE, ... | | Authors: | Skamnaki, V.T, Owen, D.J, Noble, M.E.M, Lowe, E.D, Oikonomakos, N.G, Johnson, L.N. | | Deposit date: | 1999-08-24 | | Release date: | 1999-12-14 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Catalytic Mechanism of Phosphorylase Kinase Probed by Mutational Studies.
Biochemistry, 38, 1999
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2A4D
 | | Structure of the human ubiquitin-conjugating enzyme E2 variant 1 (UEV-1) | | Descriptor: | Ubiquitin-conjugating enzyme E2 variant 1 | | Authors: | Walker, J.R, Avvakumov, G.V, Xue, S, Newman, E.M, Mackenzie, F, Weigelt, J, Sundstrom, M, Arrowsmith, C, Edwards, A, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2005-06-28 | | Release date: | 2005-07-12 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | A human ubiquitin conjugating enzyme (E2)-HECT E3 ligase structure-function screen.
Mol Cell Proteomics, 11, 2012
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1QA7
 | | CRYSTAL COMPLEX OF THE 3C PROTEINASE FROM HEPATITIS A VIRUS WITH ITS INHIBITOR AND IMPLICATIONS FOR THE POLYPROTEIN PROCESSING IN HAV | | Descriptor: | DIMETHYL SULFOXIDE, GLYCEROL, HAV 3C PROTEINASE, ... | | Authors: | Bergmann, E.M, Cherney, M.M, Mckendrick, J, Vederas, J.C, James, M.N.G. | | Deposit date: | 1999-04-15 | | Release date: | 1999-04-20 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of an inhibitor complex of the 3C proteinase from hepatitis A virus (HAV) and implications for the polyprotein processing in HAV.
Virology, 265, 1999
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2A9U
 | | Structure of the N-terminal domain of Human Ubiquitin carboxyl-terminal hydrolase 8 (USP8) | | Descriptor: | Ubiquitin carboxyl-terminal hydrolase 8 | | Authors: | Walker, J.R, Avvakumov, G.V, Xue, S, Newman, E.M, Mackenzie, F, Weigelt, J, Sundstrom, M, Arrowsmith, C, Edwards, E, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2005-07-12 | | Release date: | 2005-08-16 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Amino-terminal Dimerization, NRDP1-Rhodanese Interaction, and Inhibited Catalytic Domain Conformation of the Ubiquitin-specific Protease 8 (USP8).
J.Biol.Chem., 281, 2006
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1QKP
 | | HIGH RESOLUTION X-RAY STRUCTURE OF AN EARLY INTERMEDIATE IN THE BACTERIORHODOPSIN PHOTOCYCLE | | Descriptor: | BACTERIORHODOPSIN, RETINAL | | Authors: | Edman, K, Nollert, P, Royant, A, Belrhali, H, Pebay-Peyroula, E, Hajdu, J, Neutze, R, Landau, E.M. | | Deposit date: | 1999-07-30 | | Release date: | 1999-10-24 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | High-resolution X-ray structure of an early intermediate in the bacteriorhodopsin photocycle.
Nature, 401, 1999
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2AWG
 | | Structure of the PPIase domain of the Human FK506-binding protein 8 | | Descriptor: | 38 kDa FK-506 binding protein | | Authors: | Walker, J.R, Davis, T, Newman, E.M, Finerty, P, Mackenzie, F, Weigelt, J, Sundstrom, M, Arrowsmith, C, Edwards, A, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2005-09-01 | | Release date: | 2005-09-27 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure of the human FK-506 binding protein 8
To be Published
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6LU1
 | | Cyanobacterial PSI Monomer from T. elongatus by Single Particle CRYO-EM at 3.2 A Resolution | | Descriptor: | 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ... | | Authors: | Kurisu, G, Coruh, O, Tanaka, H, Gerle, C, Kawamoto, A, Kato, T, Namba, K, Nowaczyk, M.M, Rogner, M, Misumi, Y, Frank, A, Eithar, E.M. | | Deposit date: | 2020-01-24 | | Release date: | 2021-03-17 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Cryo-EM structure of a functional monomeric Photosystem I from Thermosynechococcus elongatus reveals red chlorophyll cluster.
Commun Biol, 4, 2021
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6MHA
 | | dHP1 Chromodomain Y24W variant bound to histone H3 peptide containing trimethyllysine | | Descriptor: | Heterochromatin protein 1, histone H3 peptide containing trimethyllysine, H3K9me3 | | Authors: | Brustad, E.M, Krone, M.W, Albanese, K.I, Waters, M.L. | | Deposit date: | 2018-09-17 | | Release date: | 2019-09-25 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.497 Å) | | Cite: | Thermodynamic consequences of Tyr to Trp mutations in the cation-pi-mediated binding of trimethyllysine by the HP1 chromodomain
Chem Sci, 11, 2020
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