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7VXI
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BU of 7vxi by Molmil
SARS-CoV-2 Kappa variant spike protein in transition state
分子名称: Spike glycoprotein
著者Xu, C, Cong, Y.
登録日2021-11-12
公開日2021-12-22
最終更新日2022-02-16
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Conformational dynamics of the Beta and Kappa SARS-CoV-2 spike proteins and their complexes with ACE2 receptor revealed by cryo-EM.
Nat Commun, 12, 2021
7VXB
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BU of 7vxb by Molmil
SARS-CoV-2 Kappa variant spike protein in C2b state
分子名称: Angiotensin-converting enzyme 2, Spike glycoprotein
著者Xu, C, Cong, Y.
登録日2021-11-12
公開日2021-12-22
最終更新日2022-02-16
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Conformational dynamics of the Beta and Kappa SARS-CoV-2 spike proteins and their complexes with ACE2 receptor revealed by cryo-EM.
Nat Commun, 12, 2021
7VXK
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BU of 7vxk by Molmil
SARS-CoV-2 spike protein in complex with ACE2, Beta variant, C2A state
分子名称: Angiotensin-converting enzyme 2, Spike glycoprotein
著者Xu, C, Cong, Y.
登録日2021-11-12
公開日2021-12-22
最終更新日2022-02-16
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Conformational dynamics of the Beta and Kappa SARS-CoV-2 spike proteins and their complexes with ACE2 receptor revealed by cryo-EM.
Nat Commun, 12, 2021
7VXM
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BU of 7vxm by Molmil
SARS-CoV-2 spike protein in complex with ACE2, Beta variant, C3 state
分子名称: Angiotensin-converting enzyme 2, Spike glycoprotein
著者Xu, C, Cong, Y.
登録日2021-11-12
公開日2022-01-12
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Conformational dynamics of the Beta and Kappa SARS-CoV-2 spike proteins and their complexes with ACE2 receptor revealed by cryo-EM.
Nat Commun, 12, 2021
7WEV
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BU of 7wev by Molmil
SARS-COV-2 BETA VARIANT SPIKE PROTEIN IN TRANSITION STATE
分子名称: Spike glycoprotein
著者Xu, C, Cong, Y.
登録日2021-12-24
公開日2022-01-26
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Conformational dynamics of the Beta and Kappa SARS-CoV-2 spike proteins and their complexes with ACE2 receptor revealed by cryo-EM.
Nat Commun, 12, 2021
5YP6
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RORgamma (263-509) complexed with SRC2 and Compound 6
分子名称: N-[3'-cyano-4'-(2-methylpropyl)-2-(trifluoromethyl)biphenyl-4-yl]-2-[4-(ethylsulfonyl)phenyl]acetamide, Nuclear receptor ROR-gamma, SRC2
著者Gao, M, Cai, W.
登録日2017-11-01
公開日2018-02-07
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献From ROR gamma t Agonist to Two Types of ROR gamma t Inverse Agonists
ACS Med Chem Lett, 9, 2018
5YP5
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Crystal structure of RORgamma complexed with SRC2 and compound 5d
分子名称: 2-[4-(ethylsulfonyl)phenyl]-N-{5-[2-(2-methylpropyl)benzoyl]-4-phenyl-1,3-thiazol-2-yl}acetamide, Nuclear receptor ROR-gamma, SRC2-2 peptide
著者Gao, M, Cai, W, Chunwa, C.
登録日2017-11-01
公開日2018-04-04
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献From ROR gamma t Agonist to Two Types of ROR gamma t Inverse Agonists
ACS Med Chem Lett, 9, 2018
7VGG
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BU of 7vgg by Molmil
Cryo-EM structure of Ultraviolet-B activated UVR8 in complex with COP1
分子名称: E3 ubiquitin-protein ligase COP1, Ultraviolet-B receptor UVR8
著者Wang, Y.D, Wang, L.X, Guan, Z.Y, Yin, P.
登録日2021-09-16
公開日2022-05-04
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural insight into UV-B-activated UVR8 bound to COP1.
Sci Adv, 8, 2022
7W5E
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BU of 7w5e by Molmil
Oxidase ChaP D49L mutant
分子名称: ChaP, FE (III) ION
著者Wang, Y, Zheng, W, Meng, Z, Jin, Y, Zhu, J, Tan, R.
登録日2021-11-30
公開日2022-10-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Alteration of the Catalytic Reaction Trajectory of a Vicinal Oxygen Chelate Enzyme by Directed Evolution.
Angew.Chem.Int.Ed.Engl., 61, 2022
7WCY
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BU of 7wcy by Molmil
Crystal Structure of H-2Kb with Cryptosporidium parvum gp40/15 epitope
分子名称: Beta-2-microglobulin, H-2 class I histocompatibility antigen, K-B alpha chain, ...
著者Wang, Y.L, Gao, M.H, Zhang, L.X, Fan, S.H.
登録日2021-12-20
公開日2022-12-28
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Structural Analyses of a Dominant Cryptosporidium parvum Epitope Presented by H-2K b Offer New Options To Combat Cryptosporidiosis.
Mbio, 14, 2023
5XKF
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BU of 5xkf by Molmil
Crystal structure of T2R-TTL-MPC6827 complex
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ...
著者Wang, Y, Yang, J, Wang, T, Chen, L.
登録日2017-05-07
公開日2018-04-18
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Identification of a powerful and reversible microtubule-inhibitor with efficacy against multidrug-resistant tumors
To Be Published
5XKH
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BU of 5xkh by Molmil
Crystal structure of T2R-TTL-CF1 complex
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-[(4-methoxy-3-oxidanyl-phenyl)-methyl-amino]chromen-2-one, CALCIUM ION, ...
著者Wang, Y, Yang, J, Wang, T, Chen, L.
登録日2017-05-07
公開日2018-06-20
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Identification of a powerful and reversible microtubule-inhibitor with efficacy against multidrug-resistant tumors
To Be Published
5XKG
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BU of 5xkg by Molmil
Crystal structure of T2R-TTL-CH1 complex
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-[(3-azanyl-4-methoxy-phenyl)-methyl-amino]chromen-2-one, CALCIUM ION, ...
著者Wang, Y, Yang, J, Wang, T, Chen, L.
登録日2017-05-07
公開日2018-04-18
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Identification of a powerful and reversible microtubule-inhibitor with efficacy against multidrug-resistant tumors
To Be Published
5XKE
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BU of 5xke by Molmil
Crystal structure of T2R-TTL-Demecolcine complex
分子名称: (7S)-1,2,3,10-tetramethoxy-7-(methylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
著者Wang, Y, Yang, J, Wang, T, Chen, L.
登録日2017-05-07
公開日2018-07-04
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Identification of a powerful and reversible microtubule-inhibitor with efficacy against multidrug-resistant tumors
To Be Published
4N74
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BU of 4n74 by Molmil
Crystal Structure of Outer Membrane Protein TamA beta-barrel Domain in E.coli
分子名称: Predicted outer membrane protein and surface antigen
著者Wang, Y.
登録日2013-10-14
公開日2014-10-15
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural Basis of BamA-mediate Outer Membrane Protein Biogenesis
To be Published
6XS6
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BU of 6xs6 by Molmil
SARS-CoV-2 Spike D614G variant, minus RBD
分子名称: Spike glycoprotein
著者Wang, X, Egri, S.B, Dudkina, N, Luban, J, Shen, K.
登録日2020-07-15
公開日2020-07-22
最終更新日2020-11-11
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Structural and Functional Analysis of the D614G SARS-CoV-2 Spike Protein Variant.
Cell, 183, 2020
8C3Y
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BU of 8c3y by Molmil
HB3VAR03 apo headstructure (PfEMP1 A)
分子名称: PfEMP1
著者Raghavan, S.S.R, Lavstsen, T, Wang, K.T.
登録日2022-12-29
公開日2023-08-02
最終更新日2023-12-27
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Endothelial protein C receptor binding induces conformational changes to severe malaria-associated group A PfEMP1.
Structure, 31, 2023
8C44
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BU of 8c44 by Molmil
HB3VAR03 apo headstructure (PfEMP1 A) complexed with EPCR
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Endothelial protein C receptor, PHOSPHATIDYLETHANOLAMINE, ...
著者Raghavan, S.S.R, Lavstsen, T, Wang, K.T.
登録日2022-12-31
公開日2023-08-16
最終更新日2023-12-27
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Endothelial protein C receptor binding induces conformational changes to severe malaria-associated group A PfEMP1.
Structure, 31, 2023
7NNH
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BU of 7nnh by Molmil
Cryo-EM structure of VAR2CSA FCR3 domain DBL5/6
分子名称: Erythrocyte membrane protein 1
著者Wang, K.T, Dagil, R, Salanti, A, Gourdon, P.E.
登録日2021-02-24
公開日2021-06-02
最終更新日2022-05-25
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Cryo-EM reveals the architecture of placental malaria VAR2CSA and provides molecular insight into chondroitin sulfate binding.
Nat Commun, 12, 2021
6RZ3
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BU of 6rz3 by Molmil
Crystal structure of a complex between the DNA-binding domain of p53 and the carboxyl-terminal conserved region of iASPP
分子名称: Cellular tumor antigen p53, RelA-associated inhibitor, ZINC ION
著者Chen, S, Ren, J, Jones, E.Y, Lu, X.
登録日2019-06-12
公開日2019-10-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (4.23 Å)
主引用文献iASPP mediates p53 selectivity through a modular mechanism fine-tuning DNA recognition.
Proc.Natl.Acad.Sci.USA, 116, 2019
4H2M
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BU of 4h2m by Molmil
Structure of E. coli undecaprenyl diphosphate synthase in complex with BPH-1408
分子名称: 2,2'-{benzene-1,3-diylbis[ethyne-2,1-diyl(5-bromobenzene-3,1-diyl)]}diethanamine, Undecaprenyl pyrophosphate synthase
著者Zhu, W, Oldfield, E.
登録日2012-09-12
公開日2012-12-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Antibacterial drug leads targeting isoprenoid biosynthesis.
Proc.Natl.Acad.Sci.USA, 110, 2013
6S3D
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BU of 6s3d by Molmil
Structure of D25 Fab in complex with scaffold S0_2.126
分子名称: Heavy Chain, Light Chain, S0_2.126
著者Cramer, J.T, Krey, T.
登録日2019-06-25
公開日2020-04-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献De novo protein design enables the precise induction of RSV-neutralizing antibodies.
Science, 368, 2020
8CIJ
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BU of 8cij by Molmil
CRYSTAL STRUCTURE OF HUMAN HPK1 (MAP4K1) COMPLEX WITH 2-[8-Amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-isoquinolin-3-ylamino]-6-isopropyl-5,6-dihydro-4H-1,6,8a-triaza-azulen-7-one
分子名称: 2-[[8-azanyl-7-fluoranyl-6-(8-methyl-2,3-dihydro-1~{H}-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]amino]-6-propan-2-yl-5,8-dihydro-4~{H}-pyrazolo[1,5-d][1,4]diazepin-7-one, Mitogen-activated protein kinase kinase kinase kinase 1
著者Musil, D, Toure, M.
登録日2023-02-09
公開日2023-08-16
実験手法X-RAY DIFFRACTION (2.821 Å)
主引用文献Discovery of quinazoline HPK1 inhibitors with high cellular potency.
Bioorg.Med.Chem., 92, 2023
8CDW
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BU of 8cdw by Molmil
CRYSTAL STRUCTURE OF HUMAN HPK1 (MAP4K1) COMPLEX WITH 7-(1-methyl-1H-pyrazol-4-yl)-N-[4-(1-methylpiperidin-4-yl)phenyl]quinazolin-2-amine
分子名称: Mitogen-activated protein kinase kinase kinase kinase 1, ~{N}-[4-(1-methylpiperidin-4-yl)phenyl]-7-(1-methylpyrazol-4-yl)quinazolin-2-amine
著者Musil, D, Toure, M.
登録日2023-02-01
公開日2023-08-16
実験手法X-RAY DIFFRACTION (1.941 Å)
主引用文献Discovery of quinazoline HPK1 inhibitors with high cellular potency.
Bioorg.Med.Chem., 92, 2023
6XWI
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Solution NMR structure of the S0_2.126 designed protein
分子名称: S0_2.126
著者Abriata, L.A.
登録日2020-01-23
公開日2020-04-15
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献De novo protein design enables the precise induction of RSV-neutralizing antibodies.
Science, 368, 2020

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