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4EUC
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Succinyl-CoA:acetate CoA-transferase (AarCH6-E294A) in complex with dethiaacetyl-CoA
分子名称: 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
著者Mullins, E.A, Kappock, T.J.
登録日2012-04-25
公開日2012-10-10
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.644 Å)
主引用文献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
4N62
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Crystal structure of hemagglutinin from an H7N9 influenza virus in complex with a sulfated receptor analog
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1, Hemagglutinin HA2, ...
著者Xu, R, Wilson, I.A.
登録日2013-10-11
公開日2013-12-18
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.5026 Å)
主引用文献Preferential recognition of avian-like receptors in human influenza A H7N9 viruses.
Science, 342, 2013
7W2P
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BU of 7w2p by Molmil
Tudor domain of SMN in complex with a small molecule
分子名称: 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, ...
著者Li, W, Arrowsmith, C.H, Edwards, A.M, Liu, Y, Min, J.
登録日2021-11-24
公開日2022-10-05
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献A small molecule antagonist of SMN disrupts the interaction between SMN and RNAP II.
Nat Commun, 13, 2022
7W30
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Tudor domain of SMN in complex with a small molecule
分子名称: 1,2-dimethylquinolin-4-imine, Survival motor neuron protein, UNKNOWN ATOM OR ION
著者Li, W, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Liu, Y, Min, J.
登録日2021-11-24
公開日2022-10-05
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A small molecule antagonist of SMN disrupts the interaction between SMN and RNAP II.
Nat Commun, 13, 2022
3J3Z
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BU of 3j3z by Molmil
Structure of MA28-7 neutralizing antibody Fab fragment from electron cryo-microscopy of enterovirus 71 complexed with a Fab fragment
分子名称: MA28-7 neutralizing antibody heavy chain, MA28-7 neutralizing antibody light chain
著者Lee, H, Cifuente, J.O, Ashley, R.E, Conway, J.F, Makhov, A.M, Tano, Y, Shimizu, H, Nishimura, Y, Hafenstein, S.
登録日2013-05-21
公開日2013-08-28
最終更新日2018-07-18
実験手法ELECTRON MICROSCOPY (23.4 Å)
主引用文献A strain-specific epitope of enterovirus 71 identified by cryo-electron microscopy of the complex with fab from neutralizing antibody.
J.Virol., 87, 2013
5O3H
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BU of 5o3h by Molmil
Human Brd2(BD2) mutant in complex with 9-ME-Am1
分子名称: (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, ...
著者Chan, K.-H, Runcie, A.C, Ciulli, A.
登録日2017-05-23
公開日2018-02-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Optimization of a "bump-and-hole" approach to allele-selective BET bromodomain inhibition.
Chem Sci, 9, 2018
5ODE
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BU of 5ode by Molmil
Structure of a novel oxidoreductase from Gloeobacter violaceus
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Gll2934 protein, SULFATE ION
著者Buey, R.M, Galindo-Trigo, S, de Pereda, J.M, Balsera, M.
登録日2017-07-05
公開日2017-11-15
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.196 Å)
主引用文献Unprecedented pathway of reducing equivalents in a diflavin-linked disulfide oxidoreductase.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
4MZL
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BU of 4mzl by Molmil
Crystal Structure of MTIP from Plasmodium falciparum in complex with HBS myoA, a hydrogen bond surrogate myoA helix mimetic
分子名称: Myosin A tail domain interacting protein, hydrogen bond surrogate (HBS) myoA helix mimetic
著者Douse, C.H, Garnett, J.A, Maas, S.J, Cota, E, Tate, E.W.
登録日2013-09-30
公開日2013-11-06
最終更新日2023-06-07
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Crystal Structures of Stapled and Hydrogen Bond Surrogate Peptides Targeting a Fully Buried Protein-Helix Interaction.
Acs Chem.Biol., 8, 2014
4C3P
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BU of 4c3p by Molmil
Structure of dephosphorylated Aurora A (122-403) bound to TPX2 and AMPPCP
分子名称: AURORA KINASE A, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, SULFATE ION, ...
著者Zorba, A, Kutter, S, Kern, D.
登録日2013-08-26
公開日2014-05-28
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Molecular Mechanism of Aurora a Kinase Autophosphorylation and its Allosteric Activation by Tpx2.
Elife, 3, 2014
4C3R
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BU of 4c3r by Molmil
Structure of dephosphorylated Aurora A (122-403) bound to AMPPCP
分子名称: AURORA KINASE A, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER
著者Zorba, A, Kutter, S, Cho, Y.-J, Kern, D.
登録日2013-08-26
公開日2014-05-28
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Molecular Mechanism of Aurora a Kinase Autophosphorylation and its Allosteric Activation by Tpx2.
Elife, 3, 2014
4NZU
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BU of 4nzu by Molmil
Crystal structure of the primary monoclonal antibody 13PL Fab' from a multiple myeloma patient
分子名称: 13PL heavy chain, 13PL light chain, ACETATE ION, ...
著者Zhu, X, Wilson, I.A.
登録日2013-12-12
公開日2014-02-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献A structurally distinct human mycoplasma protein that generically blocks antigen-antibody union.
Science, 343, 2014
3GEF
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BU of 3gef by Molmil
Crystal structure of the R482W mutant of lamin A/C
分子名称: Lamin-A/C
著者Magracheva, E, Kozlov, S, Stuart, C, Wlodawer, A, Zdanov, A.
登録日2009-02-25
公開日2009-08-04
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure of the lamin A/C R482W mutant responsible for dominant familial partial lipodystrophy (FPLD).
Acta Crystallogr.,Sect.F, 65, 2009
1Z9J
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BU of 1z9j by Molmil
Photosynthetic Reaction Center from Rhodobacter sphaeroides
分子名称: BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, FE (III) ION, ...
著者Thielges, M, Uyeda, G, Camara-Artigas, A, Kalman, L, Williams, J.C, Allen, J.P.
登録日2005-04-02
公開日2005-06-07
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (4.5 Å)
主引用文献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
6KDX
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BU of 6kdx by Molmil
Crystal structure of PDE10A in complex with a triazolopyrimidine inhibitor
分子名称: MAGNESIUM ION, N-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]quinolin-2-amine, ZINC ION, ...
著者Amano, Y, Honbou, K.
登録日2019-07-03
公開日2019-08-14
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献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
3E7V
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BU of 3e7v by Molmil
Crystal Structure of Human Haspin with a pyrazolo-pyrimidine ligand
分子名称: 1,2-ETHANEDIOL, 3-(3-aminophenyl)-N-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-amine, NICKEL (II) ION, ...
著者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)
登録日2008-08-19
公開日2008-10-14
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure of Human Haspin with a pyrazolo-pyrimidine ligand
To be Published
1N59
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BU of 1n59 by Molmil
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
分子名称: Beta-2-microglobulin, H-2 class I histocompatibility antigen, K-B alpha chain, ...
著者Achour, A, Michaelsson, J, Harris, R.A, Odeberg, J, Grufman, P, Sandberg, J.K, Levitsky, V, Karre, K, Sandalova, T, Schneider, G.
登録日2002-11-05
公開日2003-01-07
最終更新日2021-10-27
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献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
1N5A
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BU of 1n5a by Molmil
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
分子名称: Beta-2-microglobulin, H-2 class I histocompatibility antigen, D-B alpha chain, ...
著者Achour, A, Michaelsson, J, Harris, R.A, Odeberg, J, Grufman, P, Sandberg, J.K, Levitsky, V, Karre, K, Sandalova, T, Schneider, G.
登録日2002-11-05
公開日2003-01-07
最終更新日2021-10-27
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献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
4CPB
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BU of 4cpb by Molmil
CRYSTAL STRUCTURE OF LECA IN COMPLEX WITH A DIVALENT GALACTOSIDE AT 1. 57 ANGSTROM IN MAGNESIUM
分子名称: (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, ...
著者Topin, J, Varrot, A, Imberty, A, Wissinger, N.
登録日2014-02-04
公開日2014-10-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献A Leca Ligand Identified from a Galactoside-Conjugate Array Inhibits Host Cell Invasion by Pseudomonas Aeruginosa.
Angew.Chem.Int.Ed.Engl., 53, 2014
1KH8
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BU of 1kh8 by Molmil
Structure of a cis-proline (P114) to glycine variant of Ribonuclease A
分子名称: CESIUM ION, SULFATE ION, pancreatic ribonuclease A
著者Schultz, D.A, Friedman, A.M, White, M.A, Fox, R.O.
登録日2001-11-29
公開日2003-06-17
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The crystal structure of the cis-proline to glycine variant (P114G) of ribonuclease A.
Protein Sci., 14, 2005
4H6U
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Tubulin acetyltransferase mutant
分子名称: ACETYL COENZYME *A, Alpha-tubulin N-acetyltransferase, PHOSPHATE ION, ...
著者Roll-Mecak, A, Kizub, V, Szyk, A.
登録日2012-09-19
公開日2012-11-07
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.4482 Å)
主引用文献Crystal structures of tubulin acetyltransferase reveal a conserved catalytic core and the plasticity of the essential N terminus.
J.Biol.Chem., 287, 2012
4C9I
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BU of 4c9i by Molmil
Crystal Structure of the Strawberry Pathogenesis-Related 10 (PR-10) Fra a 1E protein (Form B)
分子名称: (2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol, GLYCEROL, MAJOR STRAWBERRY ALLERGEN FRA A 1-E
著者Casanal, A, Zander, U, Valpuesta, V, Marquez, J.A.
登録日2013-10-02
公開日2013-10-16
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献The Strawberry Pathogenesis-Related 10 (Pr-10) Fra a Proteins Control Flavonoid Biosynthesis by Binding to Metabolic Intermediates.
J.Biol.Chem., 288, 2013
4H6Z
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Tubulin acetyltransferase
分子名称: ACETYL COENZYME *A, Alpha-tubulin N-acetyltransferase, PHOSPHATE ION
著者Kizub, L, Szyk, A, Piszczek, G, Roll-Mecak, A.
登録日2012-09-19
公開日2012-11-07
最終更新日2012-12-26
実験手法X-RAY DIFFRACTION (2.701 Å)
主引用文献Crystal structures of tubulin acetyltransferase reveal a conserved catalytic core and the plasticity of the essential N terminus.
J.Biol.Chem., 287, 2012
6KDZ
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BU of 6kdz by Molmil
Crystal structure of PDE10A in complex with a triazolopyrimidine inhibitor
分子名称: 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, ...
著者Amano, Y, Honbou, K.
登録日2019-07-03
公開日2019-08-14
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献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
4IJL
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BU of 4ijl by Molmil
Fragment-based Discovery of Protein-Protein Interaction Inhibitors of Replication Protein A
分子名称: 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
著者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.
登録日2012-12-21
公開日2013-08-14
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Discovery of Protein-Protein Interaction Inhibitors of Replication Protein A.
ACS MED.CHEM.LETT., 4, 2013
3H2K
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Crystal structure of a ligand-bound form of the rice cell wall degrading esterase LipA from Xanthomonas oryzae
分子名称: esterase, octyl beta-D-glucopyranoside
著者Aparna, G, Chatterjee, A, Sonti, R.V, Sankaranarayanan, R.
登録日2009-04-14
公開日2009-08-18
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献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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