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4QUO
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BU of 4quo by Molmil
Crystal structure of Aminopeptidase N in complex with the phosphinic dipeptide analogue LL-(R,S)-hPheP[CH2]Phe(3-CH2NH2)
分子名称: (2S)-2-[3-(aminomethyl)benzyl]-3-[(R)-[(1R)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]propanoic acid, Aminopeptidase N, GLYCEROL, ...
著者Nocek, B, Mulligan, R, Joachimiak, A, Vassiliou, S, Berlicki, L, Mucha, A.
登録日2014-07-11
公開日2014-09-10
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structure-guided, single-point modifications in the phosphinic dipeptide structure yield highly potent and selective inhibitors of neutral aminopeptidases.
J.Med.Chem., 57, 2014
4R52
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BU of 4r52 by Molmil
1.5 angstrom crystal structure of 3-hydroxyanthranilate-3,4-dioxygenase from Cupriavidus metallidurans
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-hydroxyanthranilate 3,4-dioxygenase, FE (II) ION
著者Geng, J, Gumpper, R.H, Huo, L, Liu, A.
登録日2014-08-20
公開日2016-03-02
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献1.5 angstrom crystal structure of 3-hydroxyanthranilate-3,4-dioxygenase from Cupriavidus metallidurans
To be Published
5JW8
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BU of 5jw8 by Molmil
Crystal structure of the Type IV pilin subunit PilE from Neisseria meningitidis
分子名称: Major pilin PilE
著者Kolappan, S, Craig, L.
登録日2016-05-11
公開日2016-07-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.439 Å)
主引用文献Structure of the Neisseria meningitidis Type IV pilus.
Nat Commun, 7, 2016
7TXY
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BU of 7txy by Molmil
Crystal structure of the 2-Aminophenol 1,6-dioxygenase from the ARO bacterial microcompartment of Micromonospora rosaria
分子名称: 2-amino-5-chlorophenol 1,6-dioxygenase subunit alpha, 2-aminophenol 1,6-dioxygenase subunit beta, FE (II) ION
著者Sutter, M, Doron, L, Kerfeld, C.A.
登録日2022-02-10
公開日2023-02-15
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Characterization of a novel aromatic substrate-processing microcompartment in Actinobacteria.
Mbio, 14, 2023
7TZ6
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BU of 7tz6 by Molmil
Structure of mitochondrial bc1 in complex with ck-2-68
分子名称: 7-chloranyl-3-methyl-2-[4-[[4-(trifluoromethyloxy)phenyl]methyl]phenyl]-1~{H}-quinolin-4-one, Cytochrome b, Cytochrome b-c1 complex subunit 1, ...
著者Xia, D, Esser, L, Zhou, F, Huang, R.
登録日2022-02-15
公開日2023-02-22
最終更新日2023-09-06
実験手法ELECTRON MICROSCOPY (2.88 Å)
主引用文献Structure of complex III with bound antimalarial agent CK-2-68 provides insights into selective inhibition of Plasmodium cytochrome bc 1 complexes.
J.Biol.Chem., 299, 2023
4X2A
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BU of 4x2a by Molmil
Crystal structure of mouse glyoxalase I complexed with baicalein
分子名称: 5,6,7-trihydroxy-2-phenyl-4H-chromen-4-one, Lactoylglutathione lyase, ZINC ION
著者Zhang, H, Zhai, J, Zhang, L, Li, C, Zhao, Y, Hu, X.
登録日2014-11-26
公開日2015-09-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献In Vitro Inhibition of Glyoxalase І by Flavonoids: New Insights from Crystallographic Analysis.
Curr Top Med Chem, 16, 2016
5JYI
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BU of 5jyi by Molmil
Trypsin bound with succinic acid at 1.9A
分子名称: CALCIUM ION, Cationic trypsin, SODIUM ION, ...
著者Manohar, R, Kutumbarao, N.H.V, KarthiK, L, Malathy, P, Velmurugan, D, Gunasekaran, K.
登録日2016-05-14
公開日2016-07-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.914 Å)
主引用文献Trypsin bound with succinic acid at 1.9A
To Be Published
4X4U
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BU of 4x4u by Molmil
Crystal structure of the A.fulgidus CCA-adding enzyme in complex with a human MenBeta minihelix ending in CCACC
分子名称: CCA-adding enzyme, DI(HYDROXYETHYL)ETHER, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, ...
著者Kuhn, C.-D, Joshua-Tor, L.
登録日2014-12-03
公開日2015-02-11
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献On-Enzyme Refolding Permits Small RNA and tRNA Surveillance by the CCA-Adding Enzyme.
Cell, 160, 2015
2C8P
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BU of 2c8p by Molmil
lysozyme (60sec) and UV laser excited fluorescence
分子名称: LYSOZYME C
著者Vernede, X, Lavault, B, Ohana, J, Nurizzo, D, Joly, J, Jacquamet, L, Felisaz, F, Cipriani, F, Bourgeois, D.
登録日2005-12-06
公開日2006-03-08
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Uv Laser-Excited Fluorescence as a Tool for the Visualization of Protein Crystals Mounted in Loops.
Acta Crystallogr.,Sect.D, 62, 2006
5NWG
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BU of 5nwg by Molmil
Crystal structure of TNKS2 in complex with 7-chloro-2-{4-[(2-hydroxyethyl)(methyl)amino]phenyl}-3,4-dihydroquinazolin-4-one
分子名称: 7-chloranyl-2-[4-[2-hydroxyethyl(methyl)amino]phenyl]-3~{H}-quinazolin-4-one, GLYCEROL, SULFATE ION, ...
著者Nkizinkiko, Y, Haikarainen, T, Lehtio, L.
登録日2017-05-05
公開日2018-03-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献2-Phenylquinazolinones as dual-activity tankyrase-kinase inhibitors.
Sci Rep, 8, 2018
7BET
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BU of 7bet by Molmil
Structure of Ribonucleotide reductase R2 from Escherichia coli collected by femtosecond serial crystallography on a COC membrane
分子名称: FE (III) ION, Ribonucleoside-diphosphate reductase 1 subunit beta
著者Aurelius, O, John, J, Martiel, I, Marsh, M, Vera, L, Huang, C.Y, Olieric, V, Leonarski, P, Nass, K, Padeste, C, Karpik, A, Hogbom, M, Wang, M, Pedrini, B.
登録日2020-12-24
公開日2022-01-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Commissioning results from the SwissMX instrument for fixed target macromolecular crystallography at SwissFEL
To Be Published
5K2B
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BU of 5k2b by Molmil
2.5 angstrom A2a adenosine receptor structure with MR phasing using XFEL data
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, ...
著者Batyuk, A, Galli, L, Ishchenko, A, Han, G.W, Gati, C, Popov, P, Lee, M.-Y, Stauch, B, White, T.A, Barty, A, Aquila, A, Hunter, M.S, Liang, M, Boutet, S, Pu, M, Liu, Z.-J, Nelson, G, James, D, Li, C, Zhao, Y, Spence, J.C.H, Liu, W, Fromme, P, Katritch, V, Weierstall, U, Stevens, R.C, Cherezov, V, GPCR Network (GPCR)
登録日2016-05-18
公開日2016-09-21
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Native phasing of x-ray free-electron laser data for a G protein-coupled receptor.
Sci Adv, 2, 2016
4QT0
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BU of 4qt0 by Molmil
Crystal structure of human muscle L-lactate dehydrogenase in complex with inhibitor 1, 3-{[3-CARBAMOYL-7-(2,4-DIMETHOXYPYRIMIDIN-5-YL)QUINOLIN-4-YL]AMINO}BENZOIC ACID
分子名称: 3-{[3-carbamoyl-7-(2,4-dimethoxypyrimidin-5-yl)quinolin-4-yl]amino}benzoic acid, L-lactate dehydrogenase A chain
著者Kolappan, S, Craig, L.
登録日2014-07-06
公開日2014-12-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structures of lactate dehydrogenase A (LDHA) in apo, ternary and inhibitor-bound forms.
Acta Crystallogr.,Sect.D, 71, 2015
5K5Y
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BU of 5k5y by Molmil
Crystal structure of truncated FlgD (monoclinic form) from the human pathogen Helicobacter pylori (strain 26695)
分子名称: Basal-body rod modification protein FlgD
著者Kekez, I, Cendron, L, Stojanovic, M, Zanotti, G, Matkovic-Calogovic, D.
登録日2016-05-24
公開日2016-12-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Structure and Stability of FlgD from the Pathogenic 26695 Strain of Helicobacter pylori
Croatica Chemica Acta, 2016
4QX2
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BU of 4qx2 by Molmil
Cry3A Toxin structure obtained by injecting Bacillus thuringiensis cells in an XFEL beam, collecting data by serial femtosecond crystallographic methods and processing data with the cctbx.xfel software suite
分子名称: Pesticidal crystal protein cry3Aa
著者Sawaya, M.R, Cascio, D, Gingery, M, Rodriguez, J, Goldschmidt, L, Colletier, J.-P, Messerschmidt, M, Boutet, S, Koglin, J.E, Williams, G.J, Brewster, A.S, Nass, K, Hattne, J, Botha, S, Doak, R.B, Shoeman, R.L, DePonte, D.P, Park, H.-W, Federici, B.A, Sauter, N.K, Schlichting, I, Eisenberg, D.
登録日2014-07-17
公開日2014-08-13
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Protein crystal structure obtained at 2.9 angstrom resolution from injecting bacterial cells into an X-ray free-electron laser beam.
Proc.Natl.Acad.Sci.USA, 111, 2014
5K6U
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BU of 5k6u by Molmil
Sidekick-1 immunoglobulin domains 1-4, crystal form 1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CESIUM ION, IODIDE ION, ...
著者Jin, X, Goodman, K.M, Mannepalli, S, Honig, B, Shapiro, L.
登録日2016-05-25
公開日2016-09-28
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.201 Å)
主引用文献Molecular basis of sidekick-mediated cell-cell adhesion and specificity.
Elife, 5, 2016
5K92
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BU of 5k92 by Molmil
Crystal Structure of an apo Tris-thiolate Binding Site in a de novo Three Stranded Coiled Coil Peptide
分子名称: Apo-(CSL16C)3, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Ruckthong, L, Zastrow, M.L, Stuckey, J.A, Pecoraro, V.L.
登録日2016-05-31
公開日2016-08-31
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献A Crystallographic Examination of Predisposition versus Preorganization in de Novo Designed Metalloproteins.
J.Am.Chem.Soc., 138, 2016
4RET
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BU of 4ret by Molmil
Crystal structure of the Na,K-ATPase E2P-digoxin complex with bound magnesium
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, ...
著者Gregersen, J.L, Laursen, M, Yatime, L, Nissen, P, Fedosova, N.U.
登録日2014-09-23
公開日2015-01-28
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (4 Å)
主引用文献Structures and characterization of digoxin- and bufalin-bound Na+,K+-ATPase compared with the ouabain-bound complex.
Proc.Natl.Acad.Sci.USA, 112, 2015
4R26
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BU of 4r26 by Molmil
Crystal structure of human Fab PGT124, a broadly neutralizing and potent HIV-1 neutralizing antibody
分子名称: GLYCEROL, PGR124-Light Chain, PGT124-Heavy Chain
著者Garces, F, Kong, L, Wilson, I.A.
登録日2014-08-08
公開日2014-10-08
最終更新日2017-06-21
実験手法X-RAY DIFFRACTION (2.4969 Å)
主引用文献Structural Evolution of Glycan Recognition by a Family of Potent HIV Antibodies.
Cell(Cambridge,Mass.), 159, 2014
4X9B
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BU of 4x9b by Molmil
Crystal structure of Dscam1 isoform 4.44, N-terminal four Ig domains
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Down syndrome cell adhesion molecule, isoform 4.44, ...
著者Chen, Q, Yu, Y, Li, S.A, Cheng, L.
登録日2014-12-11
公開日2015-12-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural basis of Dscam1 homodimerization: Insights into context constraint for protein recognition
Sci Adv, 2, 2016
5K8W
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BU of 5k8w by Molmil
Crystal structure of mouse CARM1 in complex with inhibitor U2
分子名称: 1,2-DIMETHOXYETHANE, 1,2-ETHANEDIOL, 9-(7-{[amino(iminio)methyl]amino}-5,6,7-trideoxy-beta-D-ribo-heptofuranosyl)-9H-purin-6-amine, ...
著者Cura, V, Marechal, N, Mailliot, J, Troffer-Charlier, N, Hassenboehler, P, Wurtz, J.M, Bonnefond, L, Cavarelli, J.
登録日2016-05-31
公開日2017-06-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of mouse CARM1 in complex with inhibitor U2
To Be Published
5K5G
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BU of 5k5g by Molmil
Structure of human islet amyloid polypeptide in complex with an engineered binding protein
分子名称: HI18, Islet amyloid polypeptide
著者Mirecka, E.A, Feuerstein, S, Gremer, L, Schroeder, G.F, Stoldt, M, Willbold, D, Hoyer, W.
登録日2016-05-23
公開日2016-10-26
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献beta-Hairpin of Islet Amyloid Polypeptide Bound to an Aggregation Inhibitor.
Sci Rep, 6, 2016
5JPI
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BU of 5jpi by Molmil
2.15 Angstrom Crystal Structure of S-adenosylhomocysteinase from Cryptosporidium parvum in Complex with D-Eritadenine and NAD
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Adenosylhomocysteinase, ...
著者Minasov, G, Shuvalova, L, Kiryukhina, O, Dubrovska, I, Bishop, B, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2016-05-03
公開日2016-05-18
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献2.15 Angstrom Crystal Structure of S-adenosylhomocysteinase from Cryptosporidium parvum in Complex with D-Eritadenine and NAD.
To Be Published
4QT4
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BU of 4qt4 by Molmil
Crystal structure of Peptidyl-tRNA hydrolase from a Gram-positive bacterium, Streptococcus pyogenes at 2.19 Angstrom resolution shows the Closed Structure of the Substrate Binding Cleft
分子名称: Peptidyl-tRNA hydrolase
著者Singh, A, Gautam, L, Sinha, M, Bhushan, A, Kaur, P, Sharma, S, Singh, T.P.
登録日2014-07-07
公開日2014-08-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Crystal structure of peptidyl-tRNA hydrolase from a Gram-positive bacterium, Streptococcus pyogenes at 2.19 angstrom resolution shows the closed structure of the substrate-binding cleft.
FEBS Open Bio, 4, 2014
4WQN
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BU of 4wqn by Molmil
Crystal structure of N6-methyladenosine RNA reader YTHDF2
分子名称: 1,2-ETHANEDIOL, GLYCEROL, YTH domain-containing family protein 2
著者Zhu, T, Roundtree, I.A, Wang, P, Wang, X, Wang, L, Sun, C, Tian, Y, Li, J, He, C, Xu, Y.
登録日2014-10-22
公開日2014-11-19
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.121 Å)
主引用文献Crystal structure of the YTH domain of YTHDF2 reveals mechanism for recognition of N6-methyladenosine.
Cell Res., 24, 2014

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