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6HK2
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BU of 6hk2 by Molmil
Crystal structure of ferric R-state human methemoglobin bound to maleimide-deferoxamine bifunctional chelator (DFO)
分子名称: 3-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]-~{N}-methyl-propanamide, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
著者Cerutti, G, Savino, C, Montemiglio, L.C, Boffi, A.
登録日2018-09-05
公開日2019-09-18
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Biodistribution PET/CT Study of Hemoglobin-DFO-89Zr Complex in Healthy and Lung Tumor-Bearing Mice.
Int J Mol Sci, 21, 2020
6U1F
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BU of 6u1f by Molmil
Thermus thermophilus D-alanine-D-alanine ligase in complex with ATP, D-alanine-D-alanine, Mg2+ and Cs+
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CESIUM ION, D-ALANINE, ...
著者Pederick, J.L, Bruning, J.B.
登録日2019-08-15
公開日2020-05-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献d-Alanine-d-alanine ligase as a model for the activation of ATP-grasp enzymes by monovalent cations.
J.Biol.Chem., 295, 2020
6HVL
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BU of 6hvl by Molmil
CdaA complex with c-di-AMP and AMP
分子名称: (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, ADENOSINE MONOPHOSPHATE, COBALT (II) ION, ...
著者Heidemann, J.L, Neumann, P, Ficner, R.
登録日2018-10-11
公開日2019-06-05
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structures of the c-di-AMP-synthesizing enzyme CdaA.
J.Biol.Chem., 294, 2019
6TV3
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BU of 6tv3 by Molmil
HumRadA1 in complex with 3-amino-2-naphthoic acid
分子名称: 3-azanylnaphthalene-2-carboxylic acid, DNA repair and recombination protein RadA, GLYCEROL, ...
著者Marsh, M.E, Hyvonen, M.
登録日2020-01-08
公開日2021-01-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献A small-molecule inhibitor of the BRCA2-RAD51 interaction modulates RAD51 assembly and potentiates DNA damage-induced cell death.
Cell Chem Biol, 28, 2021
6HXQ
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BU of 6hxq by Molmil
Structure of citryl-CoA synthetase from Hydrogenobacter thermophilus
分子名称: CITRATE ANION, COENZYME A, Citryl-CoA synthetase large subunit, ...
著者Verstraete, K, Verschueren, K.
登録日2018-10-17
公開日2019-04-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.91 Å)
主引用文献Structure of ATP citrate lyase and the origin of citrate synthase in the Krebs cycle.
Nature, 568, 2019
6HPQ
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BU of 6hpq by Molmil
Crystal structure of human Pif1 helicase in complex with AMP-PNP, brominated crystal form.
分子名称: ATP-dependent DNA helicase PIF1, BROMIDE ION, MAGNESIUM ION, ...
著者Ledikov, V.M, Dehghani-Tafti, S, Bax, B, Sanders, C.M, Antson, A.A.
登録日2018-09-21
公開日2019-01-23
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Structural and functional analysis of the nucleotide and DNA binding activities of the human PIF1 helicase.
Nucleic Acids Res., 47, 2019
4YVM
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BU of 4yvm by Molmil
X-ray structure of Helicobacter pylori CagL-K74
分子名称: Cag pathogenicity island protein
著者Choi, J.M, Choi, Y.H, Cha, J.H, Lee, S.H.
登録日2015-03-20
公開日2015-05-13
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.791 Å)
主引用文献Crystal structure of CagL from Helicobacter pylori K74 strain.
Biochem.Biophys.Res.Commun., 460, 2015
7CEB
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BU of 7ceb by Molmil
Crystal structure of alpha6beta1 integrin headpiece
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Integrin alpha-6, ...
著者Arimori, T, Takagi, J.
登録日2020-06-22
公開日2021-06-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献Structural mechanism of laminin recognition by integrin.
Nat Commun, 12, 2021
6U5G
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BU of 6u5g by Molmil
MicroED structure of a FIB-milled CypA Crystal
分子名称: Peptidyl-prolyl cis-trans isomerase A
著者Wolff, A.M, Martynowycz, M.W, Zhao, W, Gonen, T, Fraser, J.S, Thompson, M.C.
登録日2019-08-27
公開日2020-01-29
最終更新日2023-10-11
実験手法ELECTRON CRYSTALLOGRAPHY (2.5 Å)
主引用文献Comparing serial X-ray crystallography and microcrystal electron diffraction (MicroED) as methods for routine structure determination from small macromolecular crystals
Iucrj, 7, 2020
5I05
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BU of 5i05 by Molmil
Crystal structure of human BMP9 at 1.87 A resolution
分子名称: GLYCEROL, Growth/differentiation factor 2
著者Saito, T, Bokhove, M, Jovine, L.
登録日2016-02-03
公開日2017-06-07
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Structural Basis of the Human Endoglin-BMP9 Interaction: Insights into BMP Signaling and HHT1.
Cell Rep, 19, 2017
5I1A
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BU of 5i1a by Molmil
CRYSTAL STRUCTURE OF HUMAN GERMLINE ANTIBODY IGHV3-23/IGKV3-11
分子名称: ACETATE ION, CNTO388 HEAVY CHAIN, CNTO388 LIGHT CHAIN, ...
著者Teplyakov, A, Obmolova, G, Malia, T, Luo, J, Gilliland, G.
登録日2016-02-05
公開日2016-06-08
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural diversity in a human antibody germline library.
Mabs, 8, 2016
6U59
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BU of 6u59 by Molmil
HIV-1 B41 SOSIP.664 in complex with rabbit antibody 13B
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, SOSIP.664 gp120,SOSIP.664 gp120, ...
著者Yang, Y.R, Ward, A.B.
登録日2019-08-27
公開日2020-01-29
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (3.86 Å)
主引用文献Autologous Antibody Responses to an HIV Envelope Glycan Hole Are Not Easily Broadened in Rabbits.
J.Virol., 94, 2020
7CFE
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BU of 7cfe by Molmil
Crystal structure of RsmG methyltransferase of M. tuberculosis
分子名称: ISOPROPYL ALCOHOL, PHOSPHATE ION, Ribosomal RNA small subunit methyltransferase G, ...
著者Bijpuria, S, Maurya, A, Kumar, P, Sharma, R, Taneja, B.
登録日2020-06-25
公開日2021-06-30
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Crystal structure of RsmG methyltransferase of M. tuberculosis
To Be Published
6UFP
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BU of 6ufp by Molmil
Structure of proline utilization A with the FAD covalently modified by L-thiazolidine-2-carboxylate and three cysteines (Cys46, Cys470, Cys638) modified to S,S-(2-HYDROXYETHYL)THIOCYSTEINE
分子名称: (2S)-1,3-thiazolidine-2-carboxylic acid, Bifunctional protein PutA, DI(HYDROXYETHYL)ETHER, ...
著者Campbell, A.C, Tanner, J.J.
登録日2019-09-24
公開日2020-03-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.737 Å)
主引用文献Covalent Modification of the Flavin in Proline Dehydrogenase by Thiazolidine-2-Carboxylate.
Acs Chem.Biol., 15, 2020
7CJX
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BU of 7cjx by Molmil
UDP-glucuronosyltransferase 2B15 C-terminal domain-L446S
分子名称: L(+)-TARTARIC ACID, UDP-glucuronosyltransferase 2B15
著者Wang, C.Y, Zhang, L.
登録日2020-07-14
公開日2021-07-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.986414 Å)
主引用文献Structure of UDP-glucuronosyltransferase 2B15 C-terminal domain L446S at 1.99 Angstroms resolution
To Be Published
6KGA
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BU of 6kga by Molmil
Structure of Ovalbumin from Emu (Dromaius novaehollandiae)
分子名称: Ovalbumin
著者Yasutake, Y, Maehashi, K, Matano, M, Takeuchi, J.
登録日2019-07-11
公開日2019-07-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Structure of Emu (Dromaius novaehollandiae) ovalbumin revealed alpha-1-antitrypsin-like domain-swapped trimer.
To Be Published
4WX6
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BU of 4wx6 by Molmil
Crystal structure of human adenovirus 8 protease with an irreversible vinyl sulfone inhibitor
分子名称: N-[(2S)-2-(3,5-dichlorophenyl)-2-(ethylamino)acetyl]-3-methyl-L-valyl-N-[3-(methylsulfonyl)propyl]glycinamide, PVI, Protease
著者Grosche, P, Sirockin, F, Mac Sweeney, A, Ramage, P, Erbel, P, Melkko, S, Bernardi, A, Hughes, N, Ellis, D, Combrink, K, Jarousse, N, Altmann, E.
登録日2014-11-13
公開日2015-01-14
最終更新日2015-01-28
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structure-based design and optimization of potent inhibitors of the adenoviral protease.
Bioorg.Med.Chem.Lett., 25, 2015
5H49
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BU of 5h49 by Molmil
Crystal structure of Cbln1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Cerebellin-1
著者Zhong, C, Shen, J, Zhang, H, Ding, J.
登録日2016-10-31
公開日2017-09-13
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Cbln1 and Cbln4 Are Structurally Similar but Differ in GluD2 Binding Interactions.
Cell Rep, 20, 2017
4X18
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BU of 4x18 by Molmil
[Ru(TAP)2(dppz-11-Me)]2+ bound to d(TCGGCGCCGA)
分子名称: (11-methyldipyrido[3,2-a:2',3'-c]phenazine-kappa~2~N~4~,N~5~)[bis(pyrazino[2,3-f]quinoxaline-kappa~2~N~1~,N~10~)]ruthenium, BARIUM ION, CHLORIDE ION, ...
著者Hall, J.P, Cardin, C.J.
登録日2014-11-24
公開日2015-05-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献The Structural Effect of Methyl Substitution on the Binding of Polypyridyl Ru-dppz Complexes to DNA
Organometallics, 2015
4X1A
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BU of 4x1a by Molmil
Lambda-[Ru(TAP)2(dppz-10,12-Me)]2+ bound to d(TCGGCGCCGA)
分子名称: (10,12-dimethyldipyrido[3,2-a:2',3'-c]phenazine-kappa~2~N~4~,N~5~)[bis(pyrazino[2,3-f]quinoxaline-kappa~2~N~1~,N~10~)]ruthenium, BARIUM ION, DNA (5'-D(*TP*CP*GP*GP*CP*GP*CP*CP*GP*A)-3')
著者Hall, J.P, Cardin, C.J.
登録日2014-11-24
公開日2015-05-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (0.89 Å)
主引用文献The Structural Effect of Methyl Substitution on the Binding of Polypyridyl Ru-dppz Complexes to DNA
Organometallics, 2015
7COK
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BU of 7cok by Molmil
Crystal structure of ligand-free form of 5-ketofructose reductase of Gluconobacter sp. strain CHM43
分子名称: 5-ketofructose reductase
著者Noda, S, Hodoya, Y, Nguyen, T.M, Kataoka, N, Adachi, O, Matsutani, M, Matsushita, K, Yakushi, T, Goto, M.
登録日2020-08-04
公開日2021-08-04
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献The 5-Ketofructose Reductase of Gluconobacter sp. Strain CHM43 Is a Novel Class in the Shikimate Dehydrogenase Family.
J.Bacteriol., 203, 2021
6U07
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BU of 6u07 by Molmil
Computational Stabilization of T Cell Receptor Constant Domains
分子名称: MAGNESIUM ION, Stabilized T cell receptor constant domain (Calpha), Stabilized T cell receptor constant domain (Cbeta)
著者Froning, K, Maguire, J, Sereno, A, Huang, F, Chang, S, Weichert, K, Frommelt, A.J, Dong, J, Wu, X, Austin, H, Conner, E.M, Fitchett, J.R, Heng, A.R, Balasubramaniam, D, Hilgers, M.T, Kuhlman, B, Demarest, S.J.
登録日2019-08-13
公開日2020-04-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Computational stabilization of T cell receptors allows pairing with antibodies to form bispecifics.
Nat Commun, 11, 2020
6KNK
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BU of 6knk by Molmil
Crystal structure of SbnH in complex with citryl-diaminoethane
分子名称: (2S)-2-{2-[(2-AMINOETHYL)AMINO]-2-OXOETHYL}-2-HYDROXYBUTANEDIOIC ACID, (2~{S})-2-[2-[2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]ethylamino]-2-oxidanylidene-ethyl]-2-oxidanyl-butanedioic acid, PHOSPHATE ION, ...
著者Tang, J, Ju, Y, Zhou, H.
登録日2019-08-05
公開日2019-11-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural Insights into Substrate Recognition and Activity Regulation of the Key Decarboxylase SbnH in Staphyloferrin B Biosynthesis.
J.Mol.Biol., 431, 2019
6U0C
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BU of 6u0c by Molmil
Neutron crystal structure of wtT4LE
分子名称: CHLORIDE ION, Endolysin
著者Cuneo, M.J, Myles, D.A, Li, L.
登録日2019-08-14
公開日2020-08-19
最終更新日2024-04-03
実験手法NEUTRON DIFFRACTION (2 Å), X-RAY DIFFRACTION
主引用文献Solvent entry into cavities of T4 lysozyme.
To be published
7COL
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BU of 7col by Molmil
Crystal structure of 5-ketofructose reductase complexed with NADPH
分子名称: 5-ketofructose reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Hodoya, Y, Noda, S, Nguyen, T.M, Kataoka, N, Adachi, O, Matsutani, M, Matsushita, K, Yakushi, T, Goto, M.
登録日2020-08-04
公開日2021-08-04
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献The 5-Ketofructose Reductase of Gluconobacter sp. Strain CHM43 Is a Novel Class in the Shikimate Dehydrogenase Family.
J.Bacteriol., 203, 2021

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