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8DMD
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BU of 8dmd by Molmil
Room temperature X-ray structure of SARS-CoV-2 main protease in complex with compound ZZ4461624291
分子名称: 1-[(3R)-4-[(3-chlorophenyl)methyl]-3-(2-methylpropyl)piperazin-1-yl]ethan-1-one, 3C-like proteinase
著者Kovalevsky, A, Coates, L, Kneller, D.W.
登録日2022-07-08
公開日2023-05-17
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献AI-Accelerated Design of Targeted Covalent Inhibitors for SARS-CoV-2.
J.Chem.Inf.Model., 63, 2023
7TP3
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BU of 7tp3 by Molmil
Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody K288.2
分子名称: CACODYLATE ION, K288.2 heavy chain, K288.2 light chain, ...
著者Yuan, M, Zhu, X, Wilson, I.A.
登録日2022-01-24
公開日2022-02-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Broadly neutralizing antibodies to SARS-related viruses can be readily induced in rhesus macaques.
Sci Transl Med, 14, 2022
7TP4
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BU of 7tp4 by Molmil
Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody K398.22
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, K398.22 heavy chain, ...
著者Yuan, M, Zhu, X, Wilson, I.A.
登録日2022-01-24
公開日2022-02-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Broadly neutralizing antibodies to SARS-related viruses can be readily induced in rhesus macaques.
Sci Transl Med, 14, 2022
7QNY
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BU of 7qny by Molmil
The receptor binding domain of SARS-CoV-2 spike glycoprotein in complex with COVOX-58 and COVOX-158 Fabs
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, COVOX-158 heavy chain, COVOX-158 light chain, ...
著者Zhou, D, Ren, J, Stuart, D.I.
登録日2021-12-23
公開日2022-01-19
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.84 Å)
主引用文献SARS-CoV-2 Omicron-B.1.1.529 leads to widespread escape from neutralizing antibody responses.
Cell, 185, 2022
2FH7
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BU of 2fh7 by Molmil
Crystal structure of the phosphatase domains of human PTP SIGMA
分子名称: Receptor-type tyrosine-protein phosphatase S
著者Alvarado, J, Udupi, R, Smith, D, Koss, J, Wasserman, S.R, Ozyurt, S, Atwell, S, Powell, A, Kearins, M.C, Rooney, I, Maletic, M, Bain, K.T, Freeman, J.C, Russell, M, Thompson, D.A, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2005-12-23
公開日2006-01-10
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural genomics of protein phosphatases.
J.STRUCT.FUNCT.GENOM., 8, 2007
7QNW
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BU of 7qnw by Molmil
The receptor binding domain of SARS-CoV-2 Omicron variant spike glycoprotein in complex with Beta-55 and EY6A Fabs
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, Beta-55 heavy chain, ...
著者Zhou, D, Ren, J, Stuart, D.I.
登録日2021-12-23
公開日2022-01-19
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献SARS-CoV-2 Omicron-B.1.1.529 leads to widespread escape from neutralizing antibody responses.
Cell, 185, 2022
7QNX
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BU of 7qnx by Molmil
The receptor binding domain of SARS-CoV-2 spike glycoprotein in complex with Beta-55 and EY6A Fabs
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-55 heavy chain, Beta-55 light chain, ...
著者Zhou, D, Ren, J, Stuart, D.I.
登録日2021-12-23
公開日2022-01-19
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.92 Å)
主引用文献SARS-CoV-2 Omicron-B.1.1.529 leads to widespread escape from neutralizing antibody responses.
Cell, 185, 2022
1RXD
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BU of 1rxd by Molmil
Crystal structure of human protein tyrosine phosphatase 4A1
分子名称: protein tyrosine phosphatase type IVA, member 1; Protein tyrosine phosphatase IVA1
著者Sun, J.P, Fedorov, A.A, Almo, S.C, Zhang, Z.Y, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2003-12-18
公開日2004-12-28
最終更新日2021-02-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural genomics of protein phosphatases.
J.STRUCT.FUNCT.GENOM., 8, 2007
6VBP
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BU of 6vbp by Molmil
Crystal structure of anti-HIV-1 antibody DH815 bound to gp120 V2 peptide
分子名称: CHLORIDE ION, DH815 heavy chain, DH815 light chain, ...
著者Janus, B.M, Ofek, G.
登録日2019-12-19
公開日2020-02-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.298 Å)
主引用文献HIV vaccine delayed boosting increases Env variable region 2-specific antibody effector functions.
JCI Insight, 5, 2020
8JZS
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BU of 8jzs by Molmil
Outward-facing SLC15A4 dimer
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, lysosomal transporter
著者Zhang, S.S, Chen, X.D, Xie, M.
登録日2023-07-06
公開日2023-09-27
最終更新日2023-12-13
実験手法ELECTRON MICROSCOPY (2.95 Å)
主引用文献Structural basis for recruitment of TASL by SLC15A4 in human endolysosomal TLR signaling.
Nat Commun, 14, 2023
8JZU
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BU of 8jzu by Molmil
SLC15A4_TASL complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, TLR adapter,Green fluorescent protein, TSLAA-EGPF tag fusion protein
著者Zhang, S.S, Chen, X.D, Xie, M.
登録日2023-07-06
公開日2023-09-27
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.05 Å)
主引用文献Structural basis for recruitment of TASL by SLC15A4 in human endolysosomal TLR signaling.
Nat Commun, 14, 2023
8JZR
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BU of 8jzr by Molmil
Outward_facing SLC15A4 monomer
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, lysosomal transporter,ALFA tag
著者Zhang, S.S, Chen, X.D, Xie, M.
登録日2023-07-06
公開日2023-09-27
最終更新日2023-12-13
実験手法ELECTRON MICROSCOPY (3.25 Å)
主引用文献Structural basis for recruitment of TASL by SLC15A4 in human endolysosomal TLR signaling.
Nat Commun, 14, 2023
6MGP
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BU of 6mgp by Molmil
Structure of human 4-1BB / 4-1BBL complex
分子名称: ACETATE ION, GLYCEROL, Tumor necrosis factor ligand superfamily member 9, ...
著者Kimberlin, C.R, Chin, S.M, Roe-Zurz, Z, Xu, A, Yang, Y.
登録日2018-09-14
公開日2018-11-14
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Structure of the 4-1BB/4-1BBL complex and distinct binding and functional properties of utomilumab and urelumab
Nat Commun, 9, 2018
6VBQ
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BU of 6vbq by Molmil
Crystal structure of anti-HIV-1 antibody DH822 bound to gp120 V2 peptide
分子名称: DH822 heavy chain, DH822 light chain, Envelope glycoprotein gp160
著者Janus, B.M, Ofek, G.
登録日2019-12-19
公開日2020-02-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.116 Å)
主引用文献HIV vaccine delayed boosting increases Env variable region 2-specific antibody effector functions.
JCI Insight, 5, 2020
6VBO
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BU of 6vbo by Molmil
Crystal structure of anti-HIV-1 antibody DH813 bound to gp120 V2 peptide
分子名称: DH813 heavy chain, DH813 light chain, Envelope glycoprotein gp160
著者Janus, B.M, Ofek, G.
登録日2019-12-19
公開日2020-02-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.683 Å)
主引用文献HIV vaccine delayed boosting increases Env variable region 2-specific antibody effector functions.
JCI Insight, 5, 2020
1HN9
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BU of 1hn9 by Molmil
CRYSTAL STRUCTURE OF BETA-KETOACYL-ACP SYNTHASE III
分子名称: BETA-KETOACYL-ACYL CARRIER PROTEIN SYNTHASE III, PHOSPHATE ION
著者Qiu, X, Janson, C.A, Konstantinidis, A.K, Nwagwu, S, Silverman, C, Smith, W.W, Khandekar, S.K, Lonsdale, J, Abdel-Meguid, S.S.
登録日2000-12-07
公開日2000-12-27
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of beta-ketoacyl-acyl carrier protein synthase III. A key condensing enzyme in bacterial fatty acid biosynthesis.
J.Biol.Chem., 274, 1999
2MD0
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BU of 2md0 by Molmil
Solution structure of ShK-like immunomodulatory peptide from Ancylostoma caninum (hookworm)
分子名称: AcK1
著者Chhabra, S, Swarbrick, J.D, Mohanty, B, Chang, S.C, Chandy, G.K, Pennington, M.W, Norton, R.S.
登録日2013-08-28
公開日2014-07-02
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Kv1.3 channel-blocking immunomodulatory peptides from parasitic worms: implications for autoimmune diseases.
Faseb J., 28, 2014
6RIM
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BU of 6rim by Molmil
Crystal structure of the catalytic domain of the Weissela oryzae botulinum like toxin
分子名称: CALCIUM ION, Putative botulinum-like toxin Wo, ZINC ION
著者Kosenina, S, Masuyer, G, Stenmark, P.
登録日2019-04-24
公開日2019-05-29
最終更新日2019-08-21
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structure of the catalytic domain of the Weissella oryzae botulinum-like toxin.
Febs Lett., 593, 2019
6XER
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BU of 6xer by Molmil
Tubulin-RB3_SLD in complex with colchicine
分子名称: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者White, S.W, Yun, M.
登録日2020-06-13
公開日2021-08-25
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Design, Synthesis, and Biological Evaluation of Stable Colchicine-Binding Site Tubulin Inhibitors 6-Aryl-2-benzoyl-pyridines as Potential Anticancer Agents.
J.Med.Chem., 64, 2021
6XET
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BU of 6xet by Molmil
Tubulin-RB3_SLD in complex with compound 60c
分子名称: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者White, S.W, Yun, M.
登録日2020-06-13
公開日2021-08-25
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Design, Synthesis, and Biological Evaluation of Stable Colchicine-Binding Site Tubulin Inhibitors 6-Aryl-2-benzoyl-pyridines as Potential Anticancer Agents.
J.Med.Chem., 64, 2021
6XES
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BU of 6xes by Molmil
Tubulin-RB3_SLD in complex with compound 40a
分子名称: DIMETHYL SULFOXIDE, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
著者White, S.W, Yun, M.
登録日2020-06-13
公開日2021-08-25
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Design, Synthesis, and Biological Evaluation of Stable Colchicine-Binding Site Tubulin Inhibitors 6-Aryl-2-benzoyl-pyridines as Potential Anticancer Agents.
J.Med.Chem., 64, 2021
2IQ1
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BU of 2iq1 by Molmil
Crystal structure of human PPM1K
分子名称: MAGNESIUM ION, Protein phosphatase 2C kappa, PPM1K
著者Bonanno, J.B, Freeman, J, Russell, M, Bain, K.T, Adams, J, Pelletier, L, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2006-10-12
公開日2006-11-07
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural genomics of protein phosphatases
J.STRUCT.FUNCT.GENOM., 8, 2007
6UKB
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BU of 6ukb by Molmil
Crystal structure of human GAC in complex with inhibitor UPGL00012
分子名称: Glutaminase kidney isoform, mitochondrial, N-[5-(4-{[5-(acetylamino)-1,3,4-thiadiazol-2-yl]oxy}piperidin-1-yl)-1,3,4-thiadiazol-2-yl]acetamide
著者Huang, Q, Cerione, R.A.
登録日2019-10-04
公開日2020-10-07
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal structure of human GAC in complex with inhibitor UPGL00020
To Be Published
2IRM
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BU of 2irm by Molmil
Crystal structure of mitogen-activated protein kinase kinase kinase 7 interacting protein 1 from Anopheles gambiae
分子名称: mitogen-activated protein kinase kinase kinase 7 interacting protein 1
著者Jin, X, Bonanno, J.B, Pelletier, L, Freeman, J.C, Wasserman, S, Sauder, J.M, Burley, S.K, Shapiro, L, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2006-10-15
公開日2006-11-14
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural genomics of protein phosphatases.
J.STRUCT.FUNCT.GENOM., 8, 2007
6MHR
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BU of 6mhr by Molmil
Structure of the human 4-1BB / Urelumab Fab complex
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, MALONATE ION, ...
著者Kimberlin, C.R, Chin, S.M, Roe-Zurz, Z, Xu, A, Yang, Y.
登録日2018-09-18
公開日2018-11-21
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure of the 4-1BB/4-1BBL complex and distinct binding and functional properties of utomilumab and urelumab.
Nat Commun, 9, 2018

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