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7EKF
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Structure of SARS-CoV-2 Alpha variant spike receptor-binding domain complexed with human ACE2
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, Angiotensin-converting enzyme 2, ...
著者Han, P.C, Su, C, Zhang, Y.F, Qi, J.X, Gao, G.F.
登録日2021-04-05
公開日2021-11-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Molecular insights into receptor binding of recent emerging SARS-CoV-2 variants.
Nat Commun, 12, 2021
4EDT
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BU of 4edt by Molmil
The structure of the S. aureus DnaG RNA Polymerase Domain bound to ppGpp and Manganese
分子名称: BENZAMIDINE, DNA primase, GUANOSINE-5',3'-TETRAPHOSPHATE, ...
著者Rymer, R.U, Solorio, F.A, Chu, C, Corn, J.E, Wang, J.D, Berger, J.M.
登録日2012-03-27
公開日2012-07-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.005 Å)
主引用文献Binding Mechanism of Metal-NTP Substrates and Stringent-Response Alarmones to Bacterial DnaG-Type Primases.
Structure, 20, 2012
4EDR
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BU of 4edr by Molmil
The structure of the S. aureus DnaG RNA Polymerase Domain bound to UTP and Manganese
分子名称: BENZAMIDINE, DNA primase, MANGANESE (II) ION, ...
著者Rymer, R.U, Solorio, F.A, Chu, C, Corn, J.E, Wang, J.D, Berger, J.M.
登録日2012-03-27
公開日2012-07-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Binding Mechanism of Metal-NTP Substrates and Stringent-Response Alarmones to Bacterial DnaG-Type Primases.
Structure, 20, 2012
4EIG
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BU of 4eig by Molmil
CA1698 camel antibody fragment in complex with DHFR
分子名称: CA1698 camel antibody fragment, Dihydrofolate reductase
著者Oyen, D, Srinivasan, V.
登録日2012-04-05
公開日2013-04-24
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Mechanistic analysis of allosteric and non-allosteric effects arising from nanobody binding to two epitopes of the dihyrofolate reductase of Escherichia coli.
Biochim.Biophys.Acta, 1834, 2013
4EIZ
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BU of 4eiz by Molmil
Structure of Nb113 bound to apoDHFR
分子名称: Dihydrofolate reductase, Nb113 Camel antibody fragment
著者Oyen, D, Srinivasan, V.
登録日2012-04-06
公開日2013-04-24
最終更新日2013-10-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Mechanistic analysis of allosteric and non-allosteric effects arising from nanobody binding to two epitopes of the dihyrofolate reductase of Escherichia coli.
Biochim.Biophys.Acta, 1834, 2013
4I59
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BU of 4i59 by Molmil
Cyclohexylamine Oxidase from Brevibacterium oxydans IH-35A complexed with cyclohexanone
分子名称: CYCLOHEXANONE, Cyclohexylamine Oxidase, FLAVIN-ADENINE DINUCLEOTIDE
著者Mirza, I.A, Berghuis, A.M.
登録日2012-11-28
公開日2013-05-01
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.93 Å)
主引用文献Structural Analysis of a Novel Cyclohexylamine Oxidase from Brevibacterium oxydans IH-35A.
Plos One, 8, 2013
4EDV
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BU of 4edv by Molmil
The structure of the S. aureus DnaG RNA Polymerase Domain bound to pppGpp and Manganese
分子名称: BENZAMIDINE, DNA primase, MANGANESE (II) ION, ...
著者Rymer, R.U, Solorio, F.A, Chu, C, Corn, J.E, Wang, J.D, Berger, J.M.
登録日2012-03-27
公開日2012-07-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Binding Mechanism of Metal-NTP Substrates and Stringent-Response Alarmones to Bacterial DnaG-Type Primases.
Structure, 20, 2012
4I4C
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BU of 4i4c by Molmil
Crystal structure of the protein frsA complexed with unknown ligand
分子名称: 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, GLYCEROL, HEXANOIC ACID, ...
著者Fedorov, A.A, Fedorov, E.V, Desai, B, Gerlt, J.A, Richards, N, Almo, S.C.
登録日2012-11-27
公開日2013-10-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Computational, structural, and kinetic evidence that Vibrio vulnificus FrsA is not a cofactor-independent pyruvate decarboxylase.
Biochemistry, 52, 2013
4I58
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BU of 4i58 by Molmil
Cyclohexylamine Oxidase from Brevibacterium oxydans IH-35A
分子名称: Cyclohexylamine Oxidase, FLAVIN-ADENINE DINUCLEOTIDE
著者Mirza, I.A, Berghuis, A.M.
登録日2012-11-28
公開日2013-05-01
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural Analysis of a Novel Cyclohexylamine Oxidase from Brevibacterium oxydans IH-35A.
Plos One, 8, 2013
4I5M
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BU of 4i5m by Molmil
Selective & Brain-Permeable Polo-like Kinase-2 (Plk-2) Inhibitors that Reduce -Synuclein Phosphorylation in Rat Brain
分子名称: 4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide, Serine/threonine-protein kinase PLK2
著者Aubele, D.L, Hom, R.K, Adler, M, Galemmo Jr, R.A, Bowers, S, Truong, A.P, Pan, H, Beroza, P, Neitz, R.J, Yao, N, Lin, M, Tonn, G, Zhang, H, Bova, M.P, Ren, Z, Tam, D, Ruslim, L, Baker, J, Diep, L, Fitzgerald, K, Hoffman, J, Motter, R, Fauss, D, Tanaka, P, Dappen, M, Jagodzinski, J, Chan, W, Konradi, A.W, Latimer, L, Zhu, Y.L, Artis, D.R, Sham, H.L, Anderson, J.P, Bergeron, M.
登録日2012-11-28
公開日2013-12-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.801 Å)
主引用文献Selective and brain-permeable polo-like kinase-2 (Plk-2) inhibitors that reduce alpha-synuclein phosphorylation in rat brain.
Chemmedchem, 8, 2013
4I0X
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BU of 4i0x by Molmil
Crystal structure of the Mycobacterum abscessus EsxEF (Mab_3112-Mab_3113) complex
分子名称: BETA-MERCAPTOETHANOL, ESAT-6-like protein MAB_3112, ESAT-6-like protein MAB_3113, ...
著者Arbing, M.A, Chan, S, Lu, J, Kuo, E, Harris, L, Eisenberg, D, Integrated Center for Structure and Function Innovation (ISFI), TB Structural Genomics Consortium (TBSGC)
登録日2012-11-19
公開日2013-01-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.956 Å)
主引用文献Heterologous expression of mycobacterial Esx complexes in Escherichia coli for structural studies is facilitated by the use of maltose binding protein fusions.
Plos One, 8, 2013
4ED5
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BU of 4ed5 by Molmil
Crystal structure of the two N-terminal RRM domains of HuR complexed with RNA
分子名称: 1,2-ETHANEDIOL, 1-METHOXY-2-(2-METHOXYETHOXY)ETHANE, 5'-R(*A*UP*UP*UP*UP*UP*AP*UP*UP*UP*U)-3', ...
著者Wang, H, Zeng, F, Liu, Q, Niu, L, Teng, M, Li, X.
登録日2012-03-27
公開日2012-05-23
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The structure of the ARE-binding domains of Hu antigen R (HuR) undergoes conformational changes during RNA binding.
Acta Crystallogr.,Sect.D, 69, 2013
5PGM
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BU of 5pgm by Molmil
SACCHAROMYCES CEREVISIAE PHOSPHOGLYCERATE MUTASE
分子名称: ALANINE, PHOSPHOGLYCERATE MUTASE 1, SULFATE ION
著者Rigden, D.J, Phillips, S.E.V, Fothergill-Gilmore, L.A.
登録日1998-08-19
公開日1999-02-16
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Sulphate ions observed in the 2.12 A structure of a new crystal form of S. cerevisiae phosphoglycerate mutase provide insights into understanding the catalytic mechanism.
J.Mol.Biol., 286, 1999
4COI
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BU of 4coi by Molmil
Crystal structure of the anaerobic ribonucleotide reductase from Thermotoga maritima with glycerol in the active site
分子名称: ANAEROBIC RIBONUCLEOSIDE-TRIPHOSPHATE REDUCTASE, GLYCEROL, ZINC ION
著者Aurelius, O, Johansson, R, Bagenholm, V, Beck, T, Balhuizen, A, Lundin, D, Sjoberg, B.M, Mulliez, E, Logan, D.T.
登録日2014-01-28
公開日2015-01-14
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献The Crystal Structure of Thermotoga Maritima Class III Ribonucleotide Reductase Lacks a Radical Cysteine Pre-Positioned in the Active Site.
Plos One, 10, 2015
4D5B
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BU of 4d5b by Molmil
Crystal structure of CymA from Klebsiella oxytoca
分子名称: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, CYMA, Cyclohexakis-(1-4)-(alpha-D-glucopyranose)
著者van den Berg, B, Bhamidimarri, S.P, Kleinekathoefer, U, Winterhalter, M.
登録日2014-11-03
公開日2015-06-03
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.702 Å)
主引用文献Outer-membrane translocation of bulky small molecules by passive diffusion.
Proc. Natl. Acad. Sci. U.S.A., 112, 2015
3RJ1
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BU of 3rj1 by Molmil
Architecture of the Mediator Head module
分子名称: Mediator of RNA polymerase II transcription subunit 11, Mediator of RNA polymerase II transcription subunit 17, Mediator of RNA polymerase II transcription subunit 18, ...
著者Imasaki, T, Calero, G, Cai, G, Tsai, K.L, Yamada, K, Cardelli, F, Erdjument-Bromage, H, Tempst, P, Berger, I, Kornberg, G.L, Asturias, F.J, Kornberg, R.D, Takagi, Y.
登録日2011-04-14
公開日2011-07-27
最終更新日2017-08-02
実験手法X-RAY DIFFRACTION (4.3 Å)
主引用文献Architecture of the Mediator head module.
Nature, 475, 2011
4CPW
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BU of 4cpw by Molmil
Macrocyclic Transition-State Mimicking HIV-1 Protease Inhibitors Encompassing a Tertiary Alcohol
分子名称: CHLORIDE ION, PROTEASE, methyl N-[(2S)-1-[2-[[4-[(3S)-3,4-dihydrothiophen-3-yl]phenyl]methyl]-2-[3-[(3Z,8S,11R)-11-oxidanyl-7,10-bis(oxidanylidene)-8-propan-2-yl-6,9-diazabicyclo[11.2.2]heptadeca-1(16),3,13(17),14-tetraen-11-yl]propyl]hydrazinyl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate
著者DeRosa, M, Unge, J, Motwani, H.V, Rosenquist, A, Vrang, L, Wallberg, H, Larhed, M.
登録日2014-02-08
公開日2014-12-17
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Synthesis of P1'-Functionalized Macrocyclic Transition-State Mimicking HIV-1 Protease Inhibitors Encompassing a Tertiary Alcohol.
J.Med.Chem., 57, 2014
4IBZ
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BU of 4ibz by Molmil
Human p53 core domain with hot spot mutation R273C and second-site suppressor mutation T284R
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Cellular tumor antigen p53, ...
著者Eldar, A, Rozenberg, H, Diskin-Posner, Y, Shakked, Z.
登録日2012-12-09
公開日2013-08-14
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Structural studies of p53 inactivation by DNA-contact mutations and its rescue by suppressor mutations via alternative protein-DNA interactions.
Nucleic Acids Res., 41, 2013
4IGL
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BU of 4igl by Molmil
Structure of the RHS-repeat containing BC component of the secreted ABC toxin complex from Yersinia entomophaga
分子名称: GLYCEROL, POTASSIUM ION, YenB, ...
著者Busby, J.N, Panjikar, S, Landsberg, M.J, Hurst, M.R.H, Lott, J.S.
登録日2012-12-17
公開日2013-08-07
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献The BC component of ABC toxins is an RHS-repeat-containing protein encapsulation device
Nature, 501, 2013
4IBU
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BU of 4ibu by Molmil
Human p53 core domain with hot spot mutation R273C and second-site suppressor mutation T284R in sequence-specific complex with DNA
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Cellular tumor antigen p53, ...
著者Eldar, A, Rozenberg, H, Diskin-Posner, Y, Shakked, Z.
登録日2012-12-09
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Structural studies of p53 inactivation by DNA-contact mutations and its rescue by suppressor mutations via alternative protein-DNA interactions.
Nucleic Acids Res., 41, 2013
4IBW
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BU of 4ibw by Molmil
Human p53 core domain with hot spot mutation R273H and second-site suppressor mutation T284R in sequence-specific complex with DNA
分子名称: 1,2-ETHANEDIOL, Cellular tumor antigen p53, DNA (5'-D(*CP*GP*GP*GP*CP*AP*TP*GP*CP*CP*CP*G)-3'), ...
著者Eldar, A, Rozenberg, H, Diskin-Posner, Y, Shakked, Z.
登録日2012-12-09
公開日2013-08-14
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.791 Å)
主引用文献Structural studies of p53 inactivation by DNA-contact mutations and its rescue by suppressor mutations via alternative protein-DNA interactions.
Nucleic Acids Res., 41, 2013
4D0T
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BU of 4d0t by Molmil
GalNAc-T2 crystal soaked with UDP-GalNAc, EA2 peptide and manganese
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-galactopyranose, MANGANESE (II) ION, ...
著者Lira-Navarrete, E, Iglesias-Fernandez, J, Zandberg, W.F, Companon, I, Kong, Y, Corzana, F, Pinto, B.M, Clausen, H, Peregrina, J.M, Vocadlo, D, Rovira, C, Hurtado-Guerrero, R.
登録日2014-04-30
公開日2014-05-28
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Substrate-Guided Front-Face Reaction Revealed by Combined Structural Snapshots and Metadynamics for the Polypeptide N-Acetylgalactosaminyltransferase 2.
Angew.Chem.Int.Ed.Engl., 53, 2014
4D5D
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BU of 4d5d by Molmil
Crystal structure of CymA from Klebsiella oxytoca
分子名称: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, CYMA, Cycloheptakis-(1-4)-(alpha-D-glucopyranose), ...
著者van den Berg, B, Bhamidimarri, S.P, Kleinekathoefer, U, Winterhalter, M.
登録日2014-11-03
公開日2015-06-03
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.902 Å)
主引用文献Outer-membrane translocation of bulky small molecules by passive diffusion.
Proc. Natl. Acad. Sci. U.S.A., 112, 2015
4D5Q
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Hypocrea jecorina Cel7A (wild type) soaked with xylopentaose.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CELLULOSE 1,4-BETA-CELLOBIOSIDASE, COBALT (II) ION, ...
著者Momeni, M.H, Stahlberg, J, Hansson, H.
登録日2014-11-07
公開日2015-03-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Structural Insights Into the Inhibition of Cellobiohydrolase Cel7A by Xylooligosaccharides.
FEBS J., 282, 2015
6MIB
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BU of 6mib by Molmil
Crystal structure of the ILK ATP-binding deficient mutant (L207W)/alpha-parvin core complex
分子名称: Alpha-parvin, Integrin-linked protein kinase
著者Fukuda, K, Qin, J.
登録日2018-09-19
公開日2018-11-07
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Non-catalytic signaling by pseudokinase ILK for regulating cell adhesion.
Nat Commun, 9, 2018

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