4EUC
 
 | | Succinyl-CoA:acetate CoA-transferase (AarCH6-E294A) in complex with dethiaacetyl-CoA | | Descriptor: | CHLORIDE ION, Succinyl-CoA:acetate coenzyme A transferase, [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3R)-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-4-[[3-oxidanylidene-3-(4-oxidanylidenepentylamino)propyl]amino]butyl] hydrogen phosphate | | Authors: | Mullins, E.A, Kappock, T.J. | | Deposit date: | 2012-04-25 | | Release date: | 2012-10-10 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.644 Å) | | Cite: | Crystal Structures of Acetobacter aceti Succinyl-Coenzyme A (CoA):Acetate CoA-Transferase Reveal Specificity Determinants and Illustrate the Mechanism Used by Class I CoA-Transferases.
Biochemistry, 51, 2012
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4N62
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7W2P
 | | Tudor domain of SMN in complex with a small molecule | | Descriptor: | 2-[(4-fluorophenyl)methyl]-2-azatricyclo[7.3.0.0^{3,7}]dodeca-1(9),3(7)-dien-8-imine, MAGNESIUM ION, Survival motor neuron protein, ... | | Authors: | Li, W, Arrowsmith, C.H, Edwards, A.M, Liu, Y, Min, J. | | Deposit date: | 2021-11-24 | | Release date: | 2022-10-05 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | A small molecule antagonist of SMN disrupts the interaction between SMN and RNAP II.
Nat Commun, 13, 2022
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7W30
 | | Tudor domain of SMN in complex with a small molecule | | Descriptor: | 1,2-dimethylquinolin-4-imine, Survival motor neuron protein, UNKNOWN ATOM OR ION | | Authors: | Li, W, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Liu, Y, Min, J. | | Deposit date: | 2021-11-24 | | Release date: | 2022-10-05 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A small molecule antagonist of SMN disrupts the interaction between SMN and RNAP II.
Nat Commun, 13, 2022
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3J3Z
 | | Structure of MA28-7 neutralizing antibody Fab fragment from electron cryo-microscopy of enterovirus 71 complexed with a Fab fragment | | Descriptor: | MA28-7 neutralizing antibody heavy chain, MA28-7 neutralizing antibody light chain | | Authors: | Lee, H, Cifuente, J.O, Ashley, R.E, Conway, J.F, Makhov, A.M, Tano, Y, Shimizu, H, Nishimura, Y, Hafenstein, S. | | Deposit date: | 2013-05-21 | | Release date: | 2013-08-28 | | Last modified: | 2018-07-18 | | Method: | ELECTRON MICROSCOPY (23.4 Å) | | Cite: | A strain-specific epitope of enterovirus 71 identified by cryo-electron microscopy of the complex with fab from neutralizing antibody.
J.Virol., 87, 2013
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5O3H
 | | Human Brd2(BD2) mutant in complex with 9-ME-Am1 | | Descriptor: | (2~{R})-2-[(4~{S})-6-(4-chlorophenyl)-9-methoxy-1-methyl-4~{H}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-~{N}-ethyl-propanamide, (2~{S})-1-[(2~{S})-2-oxidanylpropoxy]propan-2-ol, Bromodomain-containing protein 2, ... | | Authors: | Chan, K.-H, Runcie, A.C, Ciulli, A. | | Deposit date: | 2017-05-23 | | Release date: | 2018-02-14 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Optimization of a "bump-and-hole" approach to allele-selective BET bromodomain inhibition.
Chem Sci, 9, 2018
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5ODE
 | | Structure of a novel oxidoreductase from Gloeobacter violaceus | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Gll2934 protein, SULFATE ION | | Authors: | Buey, R.M, Galindo-Trigo, S, de Pereda, J.M, Balsera, M. | | Deposit date: | 2017-07-05 | | Release date: | 2017-11-15 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.196 Å) | | Cite: | Unprecedented pathway of reducing equivalents in a diflavin-linked disulfide oxidoreductase.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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4MZL
 | | Crystal Structure of MTIP from Plasmodium falciparum in complex with HBS myoA, a hydrogen bond surrogate myoA helix mimetic | | Descriptor: | Myosin A tail domain interacting protein, hydrogen bond surrogate (HBS) myoA helix mimetic | | Authors: | Douse, C.H, Garnett, J.A, Maas, S.J, Cota, E, Tate, E.W. | | Deposit date: | 2013-09-30 | | Release date: | 2013-11-06 | | Last modified: | 2023-06-07 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Crystal Structures of Stapled and Hydrogen Bond Surrogate Peptides Targeting a Fully Buried Protein-Helix Interaction.
Acs Chem.Biol., 8, 2014
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4C3P
 | | Structure of dephosphorylated Aurora A (122-403) bound to TPX2 and AMPPCP | | Descriptor: | AURORA KINASE A, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, SULFATE ION, ... | | Authors: | Zorba, A, Kutter, S, Kern, D. | | Deposit date: | 2013-08-26 | | Release date: | 2014-05-28 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.69 Å) | | Cite: | Molecular Mechanism of Aurora a Kinase Autophosphorylation and its Allosteric Activation by Tpx2.
Elife, 3, 2014
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4C3R
 | | Structure of dephosphorylated Aurora A (122-403) bound to AMPPCP | | Descriptor: | AURORA KINASE A, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER | | Authors: | Zorba, A, Kutter, S, Cho, Y.-J, Kern, D. | | Deposit date: | 2013-08-26 | | Release date: | 2014-05-28 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.79 Å) | | Cite: | Molecular Mechanism of Aurora a Kinase Autophosphorylation and its Allosteric Activation by Tpx2.
Elife, 3, 2014
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4NZU
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3GEF
 | | Crystal structure of the R482W mutant of lamin A/C | | Descriptor: | Lamin-A/C | | Authors: | Magracheva, E, Kozlov, S, Stuart, C, Wlodawer, A, Zdanov, A. | | Deposit date: | 2009-02-25 | | Release date: | 2009-08-04 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structure of the lamin A/C R482W mutant responsible for dominant familial partial lipodystrophy (FPLD).
Acta Crystallogr.,Sect.F, 65, 2009
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1Z9J
 | | Photosynthetic Reaction Center from Rhodobacter sphaeroides | | Descriptor: | BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, FE (III) ION, ... | | Authors: | Thielges, M, Uyeda, G, Camara-Artigas, A, Kalman, L, Williams, J.C, Allen, J.P. | | Deposit date: | 2005-04-02 | | Release date: | 2005-06-07 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (4.5 Å) | | Cite: | Design of a Redox-Linked Active Metal Site: Manganese Bound to Bacterial Reaction Centers at a Site Resembling That of Photosystem II
Biochemistry, 44, 2005
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6KDX
 | | Crystal structure of PDE10A in complex with a triazolopyrimidine inhibitor | | Descriptor: | MAGNESIUM ION, N-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]quinolin-2-amine, ZINC ION, ... | | Authors: | Amano, Y, Honbou, K. | | Deposit date: | 2019-07-03 | | Release date: | 2019-08-14 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.44 Å) | | Cite: | Synthesis, SAR study, and biological evaluation of novel 2,3-dihydro-1H-imidazo[1,2-a]benzimidazole derivatives as phosphodiesterase 10A inhibitors.
Bioorg.Med.Chem., 27, 2019
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3E7V
 | | Crystal Structure of Human Haspin with a pyrazolo-pyrimidine ligand | | Descriptor: | 1,2-ETHANEDIOL, 3-(3-aminophenyl)-N-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-amine, NICKEL (II) ION, ... | | Authors: | Filippakopoulos, P, Eswaran, J, Keates, T, Burgess-Brown, N, Fedorov, O, Pike, A.C.W, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Wickstroem, M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2008-08-19 | | Release date: | 2008-10-14 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structure of Human Haspin with a pyrazolo-pyrimidine ligand
To be Published
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1N59
 | | Crystal structure of the Murine class I Major Histocompatibility Complex of H-2KB, B2-Microglobulin, and A 9-Residue immunodominant peptide epitope gp33 derived from LCMV | | Descriptor: | Beta-2-microglobulin, H-2 class I histocompatibility antigen, K-B alpha chain, ... | | Authors: | Achour, A, Michaelsson, J, Harris, R.A, Odeberg, J, Grufman, P, Sandberg, J.K, Levitsky, V, Karre, K, Sandalova, T, Schneider, G. | | Deposit date: | 2002-11-05 | | Release date: | 2003-01-07 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | A Structural Basis for LCMV Immune Evasion. Subversion of H-2D(b) and H-2K(b) Presentation of gp33
Revealed by Comparative Crystal Structure Analyses.
Immunity, 17, 2002
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1N5A
 | | Crystal structure of the Murine class I Major Histocompatibility Complex of H-2DB, B2-Microglobulin, and A 9-Residue immunodominant peptide epitope gp33 derived from LCMV | | Descriptor: | Beta-2-microglobulin, H-2 class I histocompatibility antigen, D-B alpha chain, ... | | Authors: | Achour, A, Michaelsson, J, Harris, R.A, Odeberg, J, Grufman, P, Sandberg, J.K, Levitsky, V, Karre, K, Sandalova, T, Schneider, G. | | Deposit date: | 2002-11-05 | | Release date: | 2003-01-07 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | A Structural Basis for LCMV Immune Evasion. Subversion of H-2D(b) and H-2K(b) Presentation of
gp33 Revealed by Comparative Crystal Structure Analyses.
Immunity, 17, 2002
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4CPB
 | | CRYSTAL STRUCTURE OF LECA IN COMPLEX WITH A DIVALENT GALACTOSIDE AT 1. 57 ANGSTROM IN MAGNESIUM | | Descriptor: | (4S)-N-ethyl-4-{[N-methyl-3-(1-{2-[(4-sulfanylbenzoyl)amino]ethyl}-1H-1,2,3-triazol-4-yl)-L-alanyl]amino}-L-prolinamide, 1,2-ETHANEDIOL, CALCIUM ION, ... | | Authors: | Topin, J, Varrot, A, Imberty, A, Wissinger, N. | | Deposit date: | 2014-02-04 | | Release date: | 2014-10-08 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | A Leca Ligand Identified from a Galactoside-Conjugate Array Inhibits Host Cell Invasion by Pseudomonas Aeruginosa.
Angew.Chem.Int.Ed.Engl., 53, 2014
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1KH8
 | | Structure of a cis-proline (P114) to glycine variant of Ribonuclease A | | Descriptor: | CESIUM ION, SULFATE ION, pancreatic ribonuclease A | | Authors: | Schultz, D.A, Friedman, A.M, White, M.A, Fox, R.O. | | Deposit date: | 2001-11-29 | | Release date: | 2003-06-17 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The crystal structure of the cis-proline to glycine variant (P114G) of ribonuclease A.
Protein Sci., 14, 2005
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4H6U
 | | Tubulin acetyltransferase mutant | | Descriptor: | ACETYL COENZYME *A, Alpha-tubulin N-acetyltransferase, PHOSPHATE ION, ... | | Authors: | Roll-Mecak, A, Kizub, V, Szyk, A. | | Deposit date: | 2012-09-19 | | Release date: | 2012-11-07 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.4482 Å) | | Cite: | Crystal structures of tubulin acetyltransferase reveal a conserved catalytic core and the plasticity of the essential N terminus.
J.Biol.Chem., 287, 2012
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4C9I
 | | Crystal Structure of the Strawberry Pathogenesis-Related 10 (PR-10) Fra a 1E protein (Form B) | | Descriptor: | (2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol, GLYCEROL, MAJOR STRAWBERRY ALLERGEN FRA A 1-E | | Authors: | Casanal, A, Zander, U, Valpuesta, V, Marquez, J.A. | | Deposit date: | 2013-10-02 | | Release date: | 2013-10-16 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | The Strawberry Pathogenesis-Related 10 (Pr-10) Fra a Proteins Control Flavonoid Biosynthesis by Binding to Metabolic Intermediates.
J.Biol.Chem., 288, 2013
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4H6Z
 | | Tubulin acetyltransferase | | Descriptor: | ACETYL COENZYME *A, Alpha-tubulin N-acetyltransferase, PHOSPHATE ION | | Authors: | Kizub, L, Szyk, A, Piszczek, G, Roll-Mecak, A. | | Deposit date: | 2012-09-19 | | Release date: | 2012-11-07 | | Last modified: | 2012-12-26 | | Method: | X-RAY DIFFRACTION (2.701 Å) | | Cite: | Crystal structures of tubulin acetyltransferase reveal a conserved catalytic core and the plasticity of the essential N terminus.
J.Biol.Chem., 287, 2012
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6KDZ
 | | Crystal structure of PDE10A in complex with a triazolopyrimidine inhibitor | | Descriptor: | 4-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-3,7,8,10-tetrazatricyclo[7.4.0.0^{2,7}]trideca-1,3,5,8,10,12-hexaen-6-ol, MAGNESIUM ION, ZINC ION, ... | | Authors: | Amano, Y, Honbou, K. | | Deposit date: | 2019-07-03 | | Release date: | 2019-08-14 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Synthesis, SAR study, and biological evaluation of novel 2,3-dihydro-1H-imidazo[1,2-a]benzimidazole derivatives as phosphodiesterase 10A inhibitors.
Bioorg.Med.Chem., 27, 2019
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4IJL
 | | Fragment-based Discovery of Protein-Protein Interaction Inhibitors of Replication Protein A | | Descriptor: | Replication protein A 70 kDa DNA-binding subunit, {[5-(3-chloro-1-benzothiophen-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid | | Authors: | Feldkamp, M.D, Patrone, J.D, Kennedy, J.P, Frank, A.O, Vangamudi, B, Pelz, N.F, Rossanese, O.W, Waterson, A.G, Fesik, S.W, Chazin, W.J. | | Deposit date: | 2012-12-21 | | Release date: | 2013-08-14 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Discovery of Protein-Protein Interaction Inhibitors of Replication Protein A.
ACS MED.CHEM.LETT., 4, 2013
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3H2K
 | | Crystal structure of a ligand-bound form of the rice cell wall degrading esterase LipA from Xanthomonas oryzae | | Descriptor: | esterase, octyl beta-D-glucopyranoside | | Authors: | Aparna, G, Chatterjee, A, Sonti, R.V, Sankaranarayanan, R. | | Deposit date: | 2009-04-14 | | Release date: | 2009-08-18 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A Cell Wall-Degrading Esterase of Xanthomonas oryzae Requires a Unique Substrate Recognition Module for Pathogenesis on Rice
Plant Cell, 21, 2009
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