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8G79
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BU of 8g79 by Molmil
Local refinement of SARS-CoV-2 spike/nanobody mixture complex around RBD
分子名称: Nanosota-3, Nanosota-4, Spike glycoprotein
著者Ye, G, Bu, F, Liu, B, Li, F.
登録日2023-02-16
公開日2024-02-21
実験手法ELECTRON MICROSCOPY (6.1 Å)
主引用文献Local refinement of SARS-CoV-2 spike/nanobody mixture complex around RBD
To Be Published
8GWW
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BU of 8gww by Molmil
Small-molecule Allosteric Regulation Mechanism of SHP2
分子名称: 2-[4-(aminomethyl)-4-methyl-piperidin-1-yl]-5-[2,3-bis(chloranyl)phenyl]-3-methyl-pyrrolo[2,1-f][1,2,4]triazin-4-one, Tyrosine-protein phosphatase non-receptor type 11
著者Luo, Y, Zhu, J, Yu, K, Liu, B.
登録日2022-09-17
公開日2023-09-20
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Small-molecule Allosteric Regulation Mechanism of SHP2
To Be Published
7UY6
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BU of 7uy6 by Molmil
Tetrahymena telomerase at 2.9 Angstrom resolution
分子名称: Telomerase La-related protein p65, Telomerase RNA, Telomerase associated protein p50, ...
著者He, Y, Song, H, Chan, H, Wang, Y, Liu, B, Susac, L, Zhou, Z.H, Feigon, J.
登録日2022-05-06
公開日2022-07-13
最終更新日2024-02-14
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structure of Tetrahymena telomerase-bound CST with polymerase alpha-primase.
Nature, 608, 2022
7UY7
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BU of 7uy7 by Molmil
Tetrahymena CST with Polymerase alpha-Primase
分子名称: DNA polymerase, Telomerase associated protein p50, Telomerase-associated protein of 19 kDa, ...
著者He, Y, Song, H, Chan, H, Wang, Y, Liu, B, Susac, L, Zhou, Z.H, Feigon, J.
登録日2022-05-06
公開日2022-07-13
最終更新日2024-02-14
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Structure of Tetrahymena telomerase-bound CST with polymerase alpha-primase.
Nature, 608, 2022
7UY8
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BU of 7uy8 by Molmil
Tetrahymena Polymerase alpha-Primase
分子名称: DNA polymerase, DNA polymerase alpha subunit B, DNA primase, ...
著者He, Y, Song, H, Chan, H, Wang, Y, Liu, B, Susac, L, Zhou, Z.H, Feigon, J.
登録日2022-05-06
公開日2022-07-13
最終更新日2024-02-14
実験手法ELECTRON MICROSCOPY (4.5 Å)
主引用文献Structure of Tetrahymena telomerase-bound CST with polymerase alpha-primase.
Nature, 608, 2022
7UY5
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BU of 7uy5 by Molmil
Tetrahymena telomerase with CST
分子名称: Telomerase La-related protein p65, Telomerase RNA, Telomerase associated protein p50, ...
著者He, Y, Song, H, Chan, H, Wang, Y, Liu, B, Susac, L, Zhou, Z.H, Feigon, J.
登録日2022-05-06
公開日2022-07-13
最終更新日2024-02-14
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structure of Tetrahymena telomerase-bound CST with polymerase alpha-primase.
Nature, 608, 2022
7NL7
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BU of 7nl7 by Molmil
Crystal Structure of DC-SIGN in complex with a triazole-based glycomimetic ligand
分子名称: 3-Aminopropyl 2-deoxy-2-(4-phenyl-1,2,3-triazol-1-yl)-alpha-D-mannopyranoside, CALCIUM ION, DC-SIGN, ...
著者Jakob, R.P, Cramer, J, Lakkaichi, A, Aliu, B, Cattaneo, I, Klein, S, Jiang, X, Rabbani, S, Schwardt, O, Ernst, B, Maier, T.
登録日2021-02-22
公開日2021-10-27
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Sweet Drugs for Bad Bugs: A Glycomimetic Strategy against the DC-SIGN-Mediated Dissemination of SARS-CoV-2.
J.Am.Chem.Soc., 143, 2021
7NL6
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BU of 7nl6 by Molmil
Crystal Structure of DC-SIGN in complex with a triazole-based glycomimetic ligand
分子名称: CALCIUM ION, DC-SIGN, CRD domain, ...
著者Jakob, R.P, Cramer, J, Lakkaichi, A, Aliu, B, Cattaneo, I, Klein, S, Jiang, X, Rabbani, S, Schwardt, O, Ernst, B, Maier, T.
登録日2021-02-22
公開日2021-10-27
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Sweet Drugs for Bad Bugs: A Glycomimetic Strategy against the DC-SIGN-Mediated Dissemination of SARS-CoV-2.
J.Am.Chem.Soc., 143, 2021
4WYH
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BU of 4wyh by Molmil
Crystal structure of PriX from the hyperthermophilic archaeon Sulfolobus solfataricus
分子名称: IODIDE ION, Uncharacterized protein
著者Ouyang, S.
登録日2014-11-17
公開日2015-06-24
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献A primase subunit essential for efficient primer synthesis by an archaeal eukaryotic-type primase.
Nat Commun, 6, 2015
6SP7
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BU of 6sp7 by Molmil
Crystal Structure of the VIM-2 Acquired Metallo-beta-Lactamase in Complex with Taniborbactam (VNRX-5133)
分子名称: (4~{R})-4-[2-[4-(2-azanylethylamino)cyclohexyl]ethanoylamino]-3,3-bis(oxidanyl)-2-oxa-3-boranuidabicyclo[4.4.0]deca-1(10),6,8-triene-10-carboxylic acid, ACETATE ION, Metallo-beta-lactamase VIM-2, ...
著者Docquier, J.D, Pozzi, C, De Luca, F, Benvenuti, M, Mangani, S.
登録日2019-08-31
公開日2020-01-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery of Taniborbactam (VNRX-5133): A Broad-Spectrum Serine- and Metallo-beta-lactamase Inhibitor for Carbapenem-Resistant Bacterial Infections.
J.Med.Chem., 63, 2020
6SP6
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BU of 6sp6 by Molmil
Ultra-high Resolution Crystal Structure of the CTX-M-15 Extended-Spectrum beta-Lactamase in Complex with Taniborbactam (VNRX-5133)
分子名称: (3~{R})-3-[2-[4-(2-azanylethylamino)cyclohexyl]ethanoylamino]-2-oxidanyl-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid, 1,2-ETHANEDIOL, Beta-lactamase, ...
著者Docquier, J.D, Pozzi, C, De Luca, F, Benvenuti, M, Mangani, S.
登録日2019-08-31
公開日2020-01-22
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Discovery of Taniborbactam (VNRX-5133): A Broad-Spectrum Serine- and Metallo-beta-lactamase Inhibitor for Carbapenem-Resistant Bacterial Infections.
J.Med.Chem., 63, 2020
5NNS
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BU of 5nns by Molmil
Crystal structure of HiLPMO9B
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACRYLIC ACID, COPPER (II) ION, ...
著者Dimarogona, M, Sandgren, M.
登録日2017-04-10
公開日2018-05-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural and molecular dynamics studies of a C1-oxidizing lytic polysaccharide monooxygenase from Heterobasidion irregulare reveal amino acids important for substrate recognition.
FEBS J., 285, 2018
5F5M
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BU of 5f5m by Molmil
Crystal structure of Marburg virus nucleoprotein core domain
分子名称: Nucleoprotein
著者Guo, Y, Liu, B.C, Liu, X, Li, G.B, Wang, W.M, Dong, S.S, Wang, W.J.
登録日2015-12-04
公開日2017-05-31
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.902 Å)
主引用文献Structural Insight into Nucleoprotein Conformation Change Chaperoned by VP35 Peptide in Marburg Virus
J. Virol., 91, 2017
5F5O
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BU of 5f5o by Molmil
Crystal structure of Marburg virus nucleoprotein core domain bound to VP35 regulation peptide
分子名称: Nucleoprotein, Peptide from Polymerase cofactor VP35, SULFATE ION
著者Guo, Y, Liu, B.C, Liu, X, Li, G.B, Wang, W.M, Dong, S.S, Wang, W.J.
登録日2015-12-04
公開日2017-05-31
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural Insight into Nucleoprotein Conformation Change Chaperoned by VP35 Peptide in Marburg Virus
J. Virol., 91, 2017
6J0D
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BU of 6j0d by Molmil
Crystal structure of OsSUF4
分子名称: ZINC ION, transcription factor
著者Wang, B, Luo, Q.
登録日2018-12-24
公開日2019-11-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The transcription factor OsSUF4 interacts with SDG725 in promoting H3K36me3 establishment.
Nat Commun, 10, 2019
1HVC
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BU of 1hvc by Molmil
CRYSTAL STRUCTURE OF A TETHERED DIMER OF HIV-1 PROTEASE COMPLEXED WITH AN INHIBITOR
分子名称: HIV-1 PROTEASE, N-{1-BENZYL-(2S,3S)-2,3-DIHYDROXY-4-[3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRYLAMINO]-5-PHENYL-PENTYL}-3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRAMIDE
著者Bhat, T.N, Baldwin, E.T, Erickson, J.W.
登録日1994-06-22
公開日1994-10-15
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of a tethered dimer of HIV-1 proteinase complexed with an inhibitor.
Nat.Struct.Biol., 1, 1994
6UIP
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BU of 6uip by Molmil
DYRK1A Kinase Domain in Complex with a 6-azaindole Derivative, GNF2133.
分子名称: 4-ethyl-N-{4-[1-(oxan-4-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]pyridin-2-yl}piperazine-1-carboxamide, Dual specificity tyrosine-phosphorylation-regulated kinase 1A
著者DiDonato, M, Spraggon, G.
登録日2019-10-01
公開日2020-03-04
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (3.7 Å)
主引用文献Selective DYRK1A Inhibitor for the Treatment of Type 1 Diabetes: Discovery of 6-Azaindole Derivative GNF2133.
J.Med.Chem., 63, 2020
8J5J
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BU of 8j5j by Molmil
The crystal structure of bat coronavirus RsYN04 RBD bound to the antibody S43
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, nano antibody S43
著者Zhao, R.C, Niu, S, Han, P, Qi, J.X, Gao, G.F, Wang, Q.H.
登録日2023-04-23
公開日2023-11-22
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Cross-species recognition of bat coronavirus RsYN04 and cross-reaction of SARS-CoV-2 antibodies against the virus.
Zool.Res., 44, 2023
4Z9P
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BU of 4z9p by Molmil
Crystal structure of Ebola virus nucleoprotein core domain at 1.8A resolution
分子名称: Nucleoprotein
著者Guo, Y, Dong, S.S, Yang, P, Li, G.B, Liu, B.C, Yang, C, Rao, Z.H.
登録日2015-04-11
公開日2015-05-20
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.792 Å)
主引用文献Insight into the Ebola virus nucleocapsid assembly mechanism: crystal structure of Ebola virus nucleoprotein core domain at 1.8 A resolution.
Protein Cell, 6, 2015
7PPA
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BU of 7ppa by Molmil
High resolution structure of bone morphogenetic protein receptor type II (BMPRII) extracellular domain in complex with BMP10
分子名称: Bone morphogenetic protein 10, Bone morphogenetic protein receptor type-2, GLYCEROL
著者Guo, J, Yu, M, Read, R.J, Li, W.
登録日2021-09-13
公開日2022-05-11
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Crystal structures of BMPRII extracellular domain in binary and ternary receptor complexes with BMP10.
Nat Commun, 13, 2022
7POI
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BU of 7poi by Molmil
Prodomain bound BMP10 crystal form 1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Bone morphogenetic protein 10, D(-)-TARTARIC ACID
著者Guo, J, Yu, M, Li, W.
登録日2021-09-09
公開日2022-05-11
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal structures of BMPRII extracellular domain in binary and ternary receptor complexes with BMP10.
Nat Commun, 13, 2022
7POJ
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Prodomain bound BMP10 crystal form 2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Bone morphogenetic protein 10, TETRAETHYLENE GLYCOL
著者Guo, J, Yu, M, Li, W.
登録日2021-09-09
公開日2022-05-11
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Crystal structures of BMPRII extracellular domain in binary and ternary receptor complexes with BMP10.
Nat Commun, 13, 2022
7PPB
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2.4 angstrom crystal structure of bone morphogenetic protein receptor type II (BMPRII) extracellular domain in complex with BMP10
分子名称: Bone morphogenetic protein 10, Bone morphogenetic protein receptor type-2
著者Guo, J, Yu, M, Li, W.
登録日2021-09-13
公開日2022-05-11
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structures of BMPRII extracellular domain in binary and ternary receptor complexes with BMP10.
Nat Commun, 13, 2022
7PPC
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Ternary signalling complex of BMP10 bound to ALK1 and BMPRII
分子名称: Bone morphogenetic protein 10, Bone morphogenetic protein receptor type-2, Serine/threonine-protein kinase receptor R3
著者Guo, J, Yu, M, Read, R.J, Li, W.
登録日2021-09-13
公開日2022-05-11
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献Crystal structures of BMPRII extracellular domain in binary and ternary receptor complexes with BMP10.
Nat Commun, 13, 2022
4YMJ
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BU of 4ymj by Molmil
(R)-2-Phenylpyrrolidine Substitute Imidazopyridazines: a New Class of Potent and Selective Pan-TRK Inhibitors
分子名称: 4-[6-(benzylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile, CHLORIDE ION, GLYCEROL, ...
著者Kreusch, A, Rucker, P, Molteni, V, Loren, J.
登録日2015-03-06
公開日2015-06-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献(R)-2-Phenylpyrrolidine Substituted Imidazopyridazines: A New Class of Potent and Selective Pan-TRK Inhibitors.
Acs Med.Chem.Lett., 6, 2015

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件を2024-10-30に公開中

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