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8TB2
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BU of 8tb2 by Molmil
Structure of SasG (type II) (residues 165-421) from Staphylococcus aureus MW2
分子名称: CALCIUM ION, Putative surface protein MW2416, SODIUM ION, ...
著者Maciag, J.J, Herr, A.B.
登録日2023-06-28
公開日2024-05-08
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Staphylococcus aureus skin colonization is mediated by SasG lectin variation.
Cell Rep, 43, 2024
7L89
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BG505 SOSIP MD39 in complex with the polyclonal Fab pAbC-4 from animal Rh.32034 (Wk26 time point)
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, BG505 SOSIP MD39 - gp120, ...
著者Antanasijevic, A, Sewall, L.M, Rantalainen, K, Perrett, H.R, Ward, A.B.
登録日2020-12-31
公開日2021-08-04
最終更新日2021-12-01
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Polyclonal antibody responses to HIV Env immunogens resolved using cryoEM.
Nat Commun, 12, 2021
7L90
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BG505 SOSIP.v5.2 N241/N289 in complex with the polyclonal Fab pAbC-8 from animal Rh.33311 (Wk26 time point)
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, BG505 SOSIP.v5.2 N241/N289 - gp120, ...
著者Antanasijevic, A, Sewall, L.M, Ward, A.B.
登録日2021-01-01
公開日2021-08-04
最終更新日2021-08-25
実験手法ELECTRON MICROSCOPY (4.5 Å)
主引用文献Polyclonal antibody responses to HIV Env immunogens resolved using cryoEM.
Nat Commun, 12, 2021
7L8E
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BU of 7l8e by Molmil
BG505 SOSIP.v5.2(7S) in complex with the polyclonal Fab pAbC-1 from animal Rh.33172 (Wk38 time point)
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, Envelope glycoprotein gp160, ...
著者Antanasijevic, A, Sewall, L.M, Ward, A.B.
登録日2020-12-31
公開日2021-08-04
最終更新日2021-09-08
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Polyclonal antibody responses to HIV Env immunogens resolved using cryoEM.
Nat Commun, 12, 2021
4XMA
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BU of 4xma by Molmil
Crystal structure of the K499G mutant of NanB sialidase from streptococcus pneumoniae in complex with Optactin
分子名称: (1s,3R,4S)-1-[(cyclohexylamino)methyl]-3,4-dihydroxycyclopentanesulfonic acid, DIMETHYL SULFOXIDE, Sialidase B
著者Brear, P.
登録日2015-01-14
公開日2016-02-03
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献`The Hunt for Serendipitous Allosteric Sites: Discovery of a novel allosteric inhibitor of the bacterial sialidase NanB
To be published
4XQW
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BU of 4xqw by Molmil
X-ray structure analysis of xylanase-N44E with MES at pH6.0
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Endo-1,4-beta-xylanase 2, IODIDE ION
著者Wan, Q, Park, J.M, Riccardi, D.M, Hanson, L.B, Fisher, Z, Smith, J.C, Ostermann, A, Schrader, T, Graham, D.E, Coates, L, Langan, P, Kovalevsky, A.Y.
登録日2015-01-20
公開日2015-09-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Direct determination of protonation states and visualization of hydrogen bonding in a glycoside hydrolase with neutron crystallography.
Proc.Natl.Acad.Sci.USA, 112, 2015
7L8D
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BU of 7l8d by Molmil
BG505 SOSIP MD39 in complex with the polyclonal Fab pAbC-4 from animal Rh.33104 (Wk26 time point)
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, BG505 SOSIP MD39 - gp120, ...
著者Antanasijevic, A, Sewall, L.M, Ward, A.B.
登録日2020-12-31
公開日2021-08-04
最終更新日2021-08-25
実験手法ELECTRON MICROSCOPY (4.6 Å)
主引用文献Polyclonal antibody responses to HIV Env immunogens resolved using cryoEM.
Nat Commun, 12, 2021
7L88
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BU of 7l88 by Molmil
BG505 SOSIP MD39 in complex with the polyclonal Fab pAbC-3 from animal Rh.32034 (Wk26 time point)
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, BG505 SOSIP MD39 - gp120, ...
著者Antanasijevic, A, Sewall, L.M, Cannac, F, Perrett, H.R, Ward, A.B.
登録日2020-12-31
公開日2021-08-04
最終更新日2021-12-01
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Polyclonal antibody responses to HIV Env immunogens resolved using cryoEM.
Nat Commun, 12, 2021
7L8B
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BU of 7l8b by Molmil
BG505 SOSIP MD39 in complex with the polyclonal Fab pAbC-2 from animal Rh.33104 (Wk26 time point)
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, BG505 SOSIP MD39 - gp120, ...
著者Antanasijevic, A, Sewall, L.M, Yang, Y.R, Perrett, H.R, Ward, A.B.
登録日2020-12-31
公開日2021-08-04
最終更新日2021-08-25
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Polyclonal antibody responses to HIV Env immunogens resolved using cryoEM.
Nat Commun, 12, 2021
5EHR
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BU of 5ehr by Molmil
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor SHP099
分子名称: 6-(4-azanyl-4-methyl-piperidin-1-yl)-3-[2,3-bis(chloranyl)phenyl]pyrazin-2-amine, PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 11
著者Stams, T, Fodor, M.
登録日2015-10-28
公開日2016-06-29
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Allosteric inhibition of SHP2 phosphatase inhibits cancers driven by receptor tyrosine kinases.
Nature, 535, 2016
7UWE
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BU of 7uwe by Molmil
CryoEM Structure of E. coli Transcription-Coupled Ribonucleotide Excision Repair (TC-RER) complex
分子名称: DNA (29-MER), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
著者Hao, Z.T, Grower, M, Bharati, B, Proshkin, S, Epshtein, V, Svetlov, V, Nudler, E, Shamovsky, I.
登録日2022-05-03
公開日2023-05-31
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献RNA polymerase drives ribonucleotide excision DNA repair in E. coli.
Cell, 186, 2023
7L8G
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BU of 7l8g by Molmil
BG505 SOSIP.v5.2(7S) in complex with the polyclonal Fab pAbC-3 from animal Rh.33172 (Wk38 time point)
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, Envelope glycoprotein gp160, ...
著者Antanasijevic, A, Sewall, L.M, Rantalainen, K, Ward, A.B.
登録日2020-12-31
公開日2021-08-04
最終更新日2021-09-08
実験手法ELECTRON MICROSCOPY (4.3 Å)
主引用文献Polyclonal antibody responses to HIV Env immunogens resolved using cryoEM.
Nat Commun, 12, 2021
7TZ0
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BU of 7tz0 by Molmil
Cryo-EM structure of SARS-CoV-2 spike in complex with FSR22, an anti-SARS-CoV-2 DARPin (Local refinement of FSR22 and RBD)
分子名称: DARPin FSR22, Spike glycoprotein
著者Kwon, Y.D, Gorman, J, Kwong, P.D.
登録日2022-02-15
公開日2022-12-07
最終更新日2023-03-15
実験手法ELECTRON MICROSCOPY (4.17 Å)
主引用文献A potent and broad neutralization of SARS-CoV-2 variants of concern by DARPins.
Nat.Chem.Biol., 19, 2023
5EIT
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BU of 5eit by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the imidazopyridine derivative 2-(4-hydroxyphenyl)-3-(trifluoromethyl)imidazo[1,2-a]pyridin-6-ol
分子名称: 2-(4-hydroxyphenyl)-3-(trifluoromethyl)imidazo[1,2-a]pyridin-6-ol, Estrogen receptor, NCOA2
著者Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W.
登録日2015-10-30
公開日2016-05-04
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
4XTW
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BU of 4xtw by Molmil
Mycobacterium tuberculosis biotin ligase complexed with bisubstrate inhibitor 46 with azide in place of 2'OH
分子名称: 1,2-ETHANEDIOL, 2'-azido-2',5'-dideoxy-5'-[({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)amino]adenosine, Bifunctional ligase/repressor BirA
著者De la Mora-Rey, T, Finzel, B.C.
登録日2015-01-24
公開日2015-09-02
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.30014467 Å)
主引用文献Targeting Mycobacterium tuberculosis Biotin Protein Ligase (MtBPL) with Nucleoside-Based Bisubstrate Adenylation Inhibitors.
J.Med.Chem., 58, 2015
4XTZ
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BU of 4xtz by Molmil
Mycobacterium tuberculosis biotin ligase complexed with bisubstrate inhibitor 69 that has a fluorine in place of the ribose 2'OH
分子名称: 9-[2-deoxy-2-fluoro-5-O-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)-beta-D-arabinofuranosyl]-9H-purin-6-amine, Bifunctional ligase/repressor BirA
著者De la Mora-Rey, T, Finzel, B.C.
登録日2015-01-24
公開日2015-09-02
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.90000677 Å)
主引用文献Targeting Mycobacterium tuberculosis Biotin Protein Ligase (MtBPL) with Nucleoside-Based Bisubstrate Adenylation Inhibitors.
J.Med.Chem., 58, 2015
4XU2
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BU of 4xu2 by Molmil
Mycobacterium tuberculosis biotin ligase complexed with bisubstrate inhibitor 87 with a 3'deoxy ribose
分子名称: 3',5'-dideoxy-5'-[({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)amino]adenosine, Bifunctional ligase/repressor BirA
著者De la Mora-Rey, T, Finzel, B.C.
登録日2015-01-24
公開日2015-09-02
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.8500284 Å)
主引用文献Targeting Mycobacterium tuberculosis Biotin Protein Ligase (MtBPL) with Nucleoside-Based Bisubstrate Adenylation Inhibitors.
J.Med.Chem., 58, 2015
5MWV
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BU of 5mwv by Molmil
Solid-state NMR Structure of outer membrane protein G in lipid bilayers
分子名称: Outer membrane protein G
著者Retel, J.S, Nieuwkoop, A.J, Hiller, M, Higman, V.A, Barbet-Massin, E, Stanek, J, Andreas, L.B, Franks, W.T, van Rossum, B.-J, Vinothkumar, K.R, Handel, L, de Palma, G.G, Bardiaux, B, Pintacuda, G, Emsley, L, Kuelbrandt, W, Oschkinat, H.
登録日2017-01-20
公開日2017-12-27
最終更新日2024-05-15
実験手法SOLID-STATE NMR
主引用文献Structure of outer membrane protein G in lipid bilayers.
Nat Commun, 8, 2017
6STF
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BU of 6stf by Molmil
Human Rab8a phosphorylated at Ser111 in complex with GDP
分子名称: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Ras-related protein Rab-8A
著者Vieweg, S, Mulholland, K, Braeuning, B, Kachariya, N, Lai, Y, Toth, R, Sattler, M, Groll, M, Itzen, A, Muqit, M.M.K.
登録日2019-09-10
公開日2020-04-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献PINK1-dependent phosphorylation of Serine111 within the SF3 motif of Rab GTPases impairs effector interactions and LRRK2-mediated phosphorylation at Threonine72.
Biochem.J., 477, 2020
4XLP
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BU of 4xlp by Molmil
Crystal structure of T.aquaticus transcription initiation complex containing upstream fork promoter
分子名称: DNA (25-MER), DNA (30-MER), DNA-directed RNA polymerase subunit alpha, ...
著者Bae, B, Darst, S.A.
登録日2015-01-13
公開日2015-09-23
最終更新日2019-12-25
実験手法X-RAY DIFFRACTION (4 Å)
主引用文献Structure of a bacterial RNA polymerase holoenzyme open promoter complex.
Elife, 4, 2015
4XPV
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BU of 4xpv by Molmil
Neutron and X-ray structure analysis of xylanase: N44D at pH6
分子名称: Endo-1,4-beta-xylanase 2, IODIDE ION
著者Wan, Q, Park, J.M, Riccardi, D.M, Hanson, L.B, Fisher, Z, Smith, J.C, Ostermann, A, Schrader, T, Graham, D.E, Coates, L, Langan, P, Kovalevsky, A.Y.
登録日2015-01-18
公開日2015-09-30
最終更新日2023-09-27
実験手法NEUTRON DIFFRACTION (1.7 Å), X-RAY DIFFRACTION
主引用文献Direct determination of protonation states and visualization of hydrogen bonding in a glycoside hydrolase with neutron crystallography.
Proc.Natl.Acad.Sci.USA, 112, 2015
8E1I
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BU of 8e1i by Molmil
Asp1 kinase in complex with ATP Mg 5-IP7
分子名称: (1r,2R,3S,4s,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate, ADENOSINE-5'-TRIPHOSPHATE, Inositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase, ...
著者Goldgur, Y, Shuman, S, Benjamin, B.
登録日2022-08-10
公開日2022-11-30
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structures of Fission Yeast Inositol Pyrophosphate Kinase Asp1 in Ligand-Free, Substrate-Bound, and Product-Bound States.
Mbio, 13, 2022
8GHV
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BU of 8ghv by Molmil
Cannabinoid Receptor 1-G Protein Complex
分子名称: (5Z,8Z,11Z,13S,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-13-methylicosa-5,8,11,14-tetraenamide, Cannabinoid receptor 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Krishna Kumar, K, Robertson, M.J, Skiniotis, G, Kobilka, B.K.
登録日2023-03-12
公開日2023-05-24
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Structural basis for activation of CB1 by an endocannabinoid analog.
Nat Commun, 14, 2023
3ZUK
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BU of 3zuk by Molmil
CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS ZINC METALLOPROTEASE ZMP1 IN COMPLEX WITH INHIBITOR
分子名称: 2,2',2''-NITRILOTRIETHANOL, ACETATE ION, CALCIUM ION, ...
著者Ferraris, D.M, Sbardella, D, Petrera, A, Marini, S, Amstutz, B, Coletta, M, Sander, P, Rizzi, M.
登録日2011-07-19
公開日2011-08-03
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal Structure of Mycobacterium Tuberculosis Zinc-Dependent Metalloprotease-1 (Zmp1), a Metalloprotease Involved in Pathogenicity.
J.Biol.Chem., 286, 2011
8E1T
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BU of 8e1t by Molmil
Asp1 kinase in complex with ADPNP Mg IP7
分子名称: (1r,2R,3S,4s,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate, Inositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase, MAGNESIUM ION, ...
著者Goldgur, Y, Shuman, S, Benjamin, B.
登録日2022-08-11
公開日2022-11-30
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Structures of Fission Yeast Inositol Pyrophosphate Kinase Asp1 in Ligand-Free, Substrate-Bound, and Product-Bound States.
Mbio, 13, 2022

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