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6MN4
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Crystal structure of aminoglycoside acetyltransferase AAC(3)-IVa, H154A mutant, in complex with apramycin
分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, APRAMYCIN, ...
著者Stogios, P.J, Evdokimova, E, Michalska, K, Di Leo, R, Savchenko, A, Joachimiak, A, Satchell, K.J, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2018-10-01
公開日2018-10-24
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural and molecular rationale for the diversification of resistance mediated by the Antibiotic_NAT family.
Commun Biol, 5, 2022
5FE5
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BU of 5fe5 by Molmil
Crystal structure of human PCAF bromodomain in complex with fragment MB093 (fragment 7)
分子名称: 1,2-ETHANEDIOL, 1-[4-(1,2,3-thiadiazol-4-yl)phenyl]methanamine, DIMETHYL SULFOXIDE, ...
著者Chaikuad, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Knapp, S, Structural Genomics Consortium (SGC)
登録日2015-12-16
公開日2016-01-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Structure-Based Identification of Inhibitory Fragments Targeting the p300/CBP-Associated Factor Bromodomain.
J.Med.Chem., 59, 2016
5AAF
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BU of 5aaf by Molmil
Aurora A kinase bound to an imidazopyridine inhibitor (14a)
分子名称: 3-((4-(6-chloro-2-(1,3-dimethyl-1H-pyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-7-yl)-1H-pyrazol-1-yl)methyl)-N,N-dimethylbenzamide, AURORA KINASE A
著者McIntyre, P.J, Bayliss, R.
登録日2015-07-24
公開日2015-09-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献7-(Pyrazol-4-Yl)-3H-Imidazo[4,5-B]Pyridine-Based Derivatives for Kinase Inhibition: Co-Crystallisation Studies with Aurora-A Reveal Distinct Differences in the Orientation of the Pyrazole N1-Substituent.
Bioorg.Med.Chem.Lett., 25, 2015
6IBL
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BU of 6ibl by Molmil
ACTIVATED TURKEY BETA1 ADRENOCEPTOR WITH BOUND AGONIST FORMOTEROL AND NANOBODY Nb80
分子名称: Camelid antibody fragment Nb80, HEGA-10, SODIUM ION, ...
著者Warne, T, Edwards, P.C, Dore, A.S, Leslie, A.G.W, Tate, C.G.
登録日2018-11-30
公開日2019-01-09
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Molecular basis of beta-arrestin coupling to formoterol-bound beta1-adrenoceptor.
Nature, 583, 2020
1QPE
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STRUCTURAL ANALYSIS OF THE LYMPHOCYTE-SPECIFIC KINASE LCK IN COMPLEX WITH NON-SELECTIVE AND SRC FAMILY SELECTIVE KINASE INHIBITORS
分子名称: 1-TERT-BUTYL-3-(4-CHLORO-PHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE, LCK KINASE, SULFATE ION
著者Zhu, X, Morgenstern, K.A.
登録日1999-05-24
公開日2000-05-31
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural analysis of the lymphocyte-specific kinase Lck in complex with non-selective and Src family selective kinase inhibitors.
Structure Fold.Des., 7, 1999
4N13
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BU of 4n13 by Molmil
Crystal Structure of PstS (BB_0215) from Borrelia burgdorferi
分子名称: 1,2-ETHANEDIOL, Phosphate ABC transporter, periplasmic phosphate-binding protein, ...
著者Brautigam, C.A, Deka, R.K, Norgard, M.V.
登録日2013-10-03
公開日2014-01-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Sequence, biophysical, and structural analyses of the PstS lipoprotein (BB0215) from Borrelia burgdorferi reveal a likely binding component of an ABC-type phosphate transporter.
Protein Sci., 23, 2014
7CHZ
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BU of 7chz by Molmil
Crystal Structure Of Human Il-1beta In Complex With Antibody Binding Fragment Of IgG26A
分子名称: Interleukin-1 beta, heavy chain of antibody binding fragment of IgG26A, light chain of antibody binding fragment of IgG26A
著者Lee, C.C, Wang, A.H.J, Kuo, W.C.
登録日2020-07-06
公開日2021-01-13
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure-based Development of Human Interleukin-1 beta-Specific Antibody That Simultaneously Inhibits Binding to Both IL-1RI and IL-1RAcP.
J.Mol.Biol., 433, 2020
3MOF
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BU of 3mof by Molmil
The structure of rat cytosolic PEPCK mutant A467G in complex with oxalate and GTP
分子名称: 1,2-ETHANEDIOL, GUANOSINE-5'-TRIPHOSPHATE, MANGANESE (II) ION, ...
著者Johnson, T.A, Holyoak, T.
登録日2010-04-22
公開日2010-06-02
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Increasing the conformational entropy of the Omega-loop lid domain in phosphoenolpyruvate carboxykinase impairs catalysis and decreases catalytic fidelity .
Biochemistry, 49, 2010
7V76
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BU of 7v76 by Molmil
Cryo-EM structure of SARS-CoV-2 S-Beta variant (B.1.351), uncleavable form, one RBD-up conformation
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, Spike glycoprotein
著者Yang, T.J, Yu, P.Y, Chang, Y.C, Hsu, S.T.D.
登録日2021-08-21
公開日2021-10-06
最終更新日2025-06-18
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Cryo-EM structure of SARS-CoV-2 S-Beta variant (B.1.351), uncleavable form, one RBD-up conformation
To Be Published
7CM3
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BU of 7cm3 by Molmil
Cryo-EM structure of human NALCN in complex with FAM155A
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Wu, J, Yan, Z, Ke, M.
登録日2020-07-24
公開日2020-11-11
最終更新日2025-07-02
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structure of the human sodium leak channel NALCN in complex with FAM155A.
Nat Commun, 11, 2020
7V7T
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BU of 7v7t by Molmil
Cryo-EM structure of SARS-CoV-2 S-Delta variant (B.1.617.2), two RBD-up conformation 1
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, Spike glycoprotein
著者Yang, T.J, Yu, P.Y, Chang, Y.C, Hsu, S.T.D.
登録日2021-08-21
公開日2021-10-06
最終更新日2024-10-09
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Cryo-EM structure of SARS-CoV-2 S-Delta variant (B.1.617.2), two RBD-up conformation 1
To Be Published
7V7O
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BU of 7v7o by Molmil
Cryo-EM structure of SARS-CoV-2 S-Delta variant (B.1.617.2), one RBD-up conformation 1
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, Spike glycoprotein
著者Yang, T.J, Yu, P.Y, Chang, Y.C, Hsu, S.T.D.
登録日2021-08-21
公開日2021-10-06
最終更新日2024-11-20
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Cryo-EM structure of SARS-CoV-2 S-Delta variant (B.1.617.2), one RBD-up conformation 1
To Be Published
7V86
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BU of 7v86 by Molmil
Cryo-EM structure of SARS-CoV-2 S-Kappa variant (B.1.617.1) in complex with Angiotensin-converting enzyme 2 (ACE2) ectodomain, three ACE2-bound form
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,Green fluorescent protein, ...
著者Yang, T.J, Yu, P.Y, Chang, Y.C, Hsu, S.T.D.
登録日2021-08-22
公開日2021-10-06
最終更新日2024-11-06
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Cryo-EM structure of SARS-CoV-2 S-Kappa variant (B.1.617.1) in complex with Angiotensin-converting enzyme 2 (ACE2) ectodomain, three ACE2-bound form
To Be Published
6JVK
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BU of 6jvk by Molmil
Crystal structure of human MTH1 in complex with compound MI1012
分子名称: 7,8-dihydro-8-oxoguanine triphosphatase, N4-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
著者Peng, C, Li, Y.H, Cheng, Y.S.
登録日2019-04-17
公開日2020-10-28
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Inhibitor development of MTH1 via high-throughput screening with fragment based library and MTH1 substrate binding cavity.
Bioorg.Chem., 110, 2021
6JVT
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BU of 6jvt by Molmil
Crystal structure of human MTH1 in complex with compound MI1030
分子名称: 7,8-dihydro-8-oxoguanine triphosphatase, N4-methyl-6-[4-(oxetan-3-yl)piperazin-1-yl]pyrimidine-2,4-diamine
著者Peng, C, Li, Y.H, Cheng, Y.S.
登録日2019-04-17
公開日2020-10-28
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.801 Å)
主引用文献Inhibitor development of MTH1 via high-throughput screening with fragment based library and MTH1 substrate binding cavity.
Bioorg.Chem., 110, 2021
7N9V
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BU of 7n9v by Molmil
CA-targeting nanobody is a tool for studying HIV-1 capsid lattice interactions
分子名称: Capsid protein, Nanobody-GYAR
著者Tripler, T.N.
登録日2021-06-18
公開日2022-06-22
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (3.45 Å)
主引用文献CA-targeting nanobody is a tool for studying HIV-1 capsid lattice interactions
To Be Published
5FCZ
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BU of 5fcz by Molmil
Streptomyces plicatus N-acetyl-beta-hexosaminidase in complex with Thio-NAglucal (TNX)
分子名称: 1,5-anhydro-2-deoxy-2-(ethanethioylamino)-D-arabino-hex-1-enitol, B-N-acetylhexosaminidase, CHLORIDE ION, ...
著者Vadlamani, G, Mark, B.L.
登録日2015-12-15
公開日2016-10-26
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献N-Acetyl glycals are tight-binding and environmentally insensitive inhibitors of hexosaminidases.
Chem.Commun.(Camb.), 52, 2016
7V82
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BU of 7v82 by Molmil
Cryo-EM structure of SARS-CoV-2 S-Gamma variant (P.1) in complex with Angiotensin-converting enzyme 2 (ACE2) ectodomain, three ACE2-bound form conformation 1
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,Green fluorescent protein, ...
著者Yang, T.J, Yu, P.Y, Chang, Y.C, Hsu, S.T.D.
登録日2021-08-22
公開日2021-10-06
最終更新日2024-11-13
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Cryo-EM structure of SARS-CoV-2 S-Gamma variant (P.1) in complex with Angiotensin-converting enzyme 2 (ACE2) ectodomain, three ACE2-bound form conformation 1
To Be Published
7V89
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BU of 7v89 by Molmil
Cryo-EM structure of SARS-CoV-2 S-Delta variant (B.1.617.2) in complex with Angiotensin-converting enzyme 2 (ACE2) ectodomain, three ACE2-bound form conformation 1
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,Angiotensin-converting enzyme 2 (ACE2) ectodomain, ...
著者Yang, T.J, Yu, P.Y, Chang, Y.C, Hsu, S.T.D.
登録日2021-08-22
公開日2021-10-06
最終更新日2025-07-02
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Cryo-EM structure of SARS-CoV-2 S-Delta variant (B.1.617.2) in complex with Angiotensin-converting enzyme 2 (ACE2) ectodomain, three ACE2-bound form conformation 1
To Be Published
6AA1
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BU of 6aa1 by Molmil
Crystal structure of putative amino acid binding periplasmic ABC transporter protein from Candidatus Liberibacter asiaticus bound with citrate
分子名称: 1,2-ETHANEDIOL, CITRIC ACID, DI(HYDROXYETHYL)ETHER, ...
著者Kumar, P, Kesari, P, Ghosh, D.K, Kumar, P, Sharma, A.K.
登録日2018-07-16
公開日2019-06-12
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Crystal structures of a putative periplasmic cystine-binding protein from Candidatus Liberibacter asiaticus: insights into an adapted mechanism of ligand binding.
Febs J., 286, 2019
7V77
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BU of 7v77 by Molmil
Cryo-EM structure of SARS-CoV-2 S-Beta variant (B.1.351), uncleavable form, two RBD-up conformation
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, Spike glycoprotein
著者Yang, T.J, Yu, P.Y, Chang, Y.C, Hsu, S.T.D.
登録日2021-08-21
公開日2021-10-06
最終更新日2025-06-18
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Cryo-EM structure of SARS-CoV-2 S-Beta variant (B.1.351), uncleavable form, two RBD-up conformation
To Be Published
5L7F
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BU of 5l7f by Molmil
Crystal structure of MMP12 mutant K421A in complex with RXP470.1 conjugated with fluorophore Cy5,5 in space group P21.
分子名称: 1,2-ETHANEDIOL, BROMIDE ION, CALCIUM ION, ...
著者Tepshi, L, Bordenave, T, Rouanet-Mehouas, C, Devel, L, Dive, V, Stura, E.A.
登録日2016-06-03
公開日2016-09-14
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Synthesis and in Vitro and in Vivo Evaluation of MMP-12 Selective Optical Probes.
Bioconjug.Chem., 27, 2016
3M34
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BU of 3m34 by Molmil
Crystal structure of transketolase in complex with thiamin diphosphate and calcium ion
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, GLYCEROL, ...
著者Nocek, B, Makowska-Grzyska, M, Maltseva, N, Grimshaw, S, Joachimiak, A, Anderson, W, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2010-03-08
公開日2010-04-28
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystal structure of transketolase in complex with thiamin diphosphate and calcium ion
To be Published
7V85
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BU of 7v85 by Molmil
Cryo-EM structure of SARS-CoV-2 S-Kappa variant (B.1.617.1) in complex with Angiotensin-converting enzyme 2 (ACE2) ectodomain, two ACE2-bound form
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,Green fluorescent protein, ...
著者Yang, T.J, Yu, P.Y, Chang, Y.C, Hsu, S.T.D.
登録日2021-08-22
公開日2021-10-06
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Cryo-EM structure of SARS-CoV-2 S-Kappa variant (B.1.617.1) in complex with Angiotensin-converting enzyme 2 (ACE2) ectodomain, two ACE2-bound form
To Be Published
2VP8
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BU of 2vp8 by Molmil
Structure of Mycobacterium tuberculosis Rv1207
分子名称: 1,2-ETHANEDIOL, DIHYDROPTEROATE SYNTHASE 2
著者Gengenbacher, M, Xu, T, Niyomwattanakit, P, Spraggon, G, Dick, T.
登録日2008-02-27
公開日2008-08-12
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献Biochemical and Structural Characterization of the Putative Dihydropteroate Synthase Ortholog Rv1207 of Mycobacterium Tuberculosis.
Fems Microbiol.Lett., 287, 2008

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