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4IKS
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BU of 4iks by Molmil
Crystal structure of truncated (delta 1-89) human methionine aminopeptidase Type 1 in complex with N1-(5-chloro-6-methyl-2-(pyridin-2-yl)pyrimidin-4-yl)-N2-(6-(trifluoromethyl)pyridin-2-yl)ethane-1,2-diamine
分子名称: COBALT (II) ION, GLYCEROL, Methionine aminopeptidase 1, ...
著者Addlagatta, A, Kishor, C, Arya, T.
登録日2012-12-28
公開日2013-12-11
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Identification, Biochemical and Structural Evaluation of Species-Specific Inhibitors against Type I Methionine Aminopeptidases
J.Med.Chem., 56, 2013
4IMD
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BU of 4imd by Molmil
Crystal Structure of Pasteurella multocida N-Acetyl-D-Neuraminic acid lyase trapped with pyruvate covalently bound through a Schiff base to Lys164
分子名称: 1,2-ETHANEDIOL, N-acetylneuraminate lyase, PHOSPHATE ION
著者Fisher, A.J, Huynh, N.
登録日2013-01-02
公開日2013-11-06
最終更新日2025-03-26
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural Basis for Substrate Specificity and Mechanism of N-Acetyl-d-neuraminic Acid Lyase from Pasteurella multocida.
Biochemistry, 52, 2013
5IHA
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BU of 5iha by Molmil
MELK in complex with NVS-MELK8F
分子名称: 1-methyl-4-(4-{4-[3-(2-methylpropoxy)pyridin-4-yl]-1H-pyrazol-1-yl}phenyl)piperazine, Maternal embryonic leucine zipper kinase
著者Sprague, E.R, Brazell, T.
登録日2016-02-29
公開日2016-06-01
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Toward the Validation of Maternal Embryonic Leucine Zipper Kinase: Discovery, Optimization of Highly Potent and Selective Inhibitors, and Preliminary Biology Insight.
J.Med.Chem., 59, 2016
8KH8
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BU of 8kh8 by Molmil
Crystal structure of FGFR4(V550L) kinase domain with 8z
分子名称: 1,2-ETHANEDIOL, 1-[4-[(1~{R})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-5-cyano-pyridin-2-yl]-3-[6-methanoyl-5-[(4-methyl-2-oxidanylidene-piperazin-1-yl)methyl]-3-(2-morpholin-4-ylethoxy)pyridin-2-yl]urea, Fibroblast growth factor receptor 4, ...
著者Lin, Q.M, Chen, X.J, Chen, Y.H.
登録日2023-08-21
公開日2024-07-31
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Discovery of 6-Formylpyridyl Urea Derivatives as Potent Reversible-Covalent Fibroblast Growth Factor Receptor 4 Inhibitors with Improved Anti-Hepatocellular Carcinoma Activity.
J.Med.Chem., 67, 2024
8KH6
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Crystal structure of FGFR4 kinase domain with 8r
分子名称: 1,2-ETHANEDIOL, 1-[4-[(1~{R})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-5-cyano-pyridin-2-yl]-3-[5-bromanyl-6-(hydroxymethyl)-3-methoxy-pyridin-2-yl]urea, Fibroblast growth factor receptor 4, ...
著者Lin, Q.M, Chen, X.J, Chen, Y.H.
登録日2023-08-21
公開日2024-07-31
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Discovery of 6-Formylpyridyl Urea Derivatives as Potent Reversible-Covalent Fibroblast Growth Factor Receptor 4 Inhibitors with Improved Anti-Hepatocellular Carcinoma Activity.
J.Med.Chem., 67, 2024
8KH9
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BU of 8kh9 by Molmil
Crystal structure of FGFR4(V550M) kinase domain with 8z
分子名称: 1,2-ETHANEDIOL, 1-[4-[(1~{R})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-5-cyano-pyridin-2-yl]-3-[6-methanoyl-5-[(4-methyl-2-oxidanylidene-piperazin-1-yl)methyl]-3-(2-morpholin-4-ylethoxy)pyridin-2-yl]urea, Fibroblast growth factor receptor 4, ...
著者Lin, Q.M, Chen, X.J, Chen, Y.H.
登録日2023-08-21
公開日2024-07-31
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Discovery of 6-Formylpyridyl Urea Derivatives as Potent Reversible-Covalent Fibroblast Growth Factor Receptor 4 Inhibitors with Improved Anti-Hepatocellular Carcinoma Activity.
J.Med.Chem., 67, 2024
8KH7
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Crystal structure of FGFR4 kinase domain with 8zc
分子名称: 1,2-ETHANEDIOL, 1-[4-[(1~{R})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-5-cyano-pyridin-2-yl]-3-[6-methanoyl-5-[(4-methyl-2-oxidanylidene-piperazin-1-yl)methyl]-3-(2-morpholin-4-ylethoxy)pyridin-2-yl]urea, Fibroblast growth factor receptor 4, ...
著者Lin, Q.M, Chen, X.J, Chen, Y.H.
登録日2023-08-21
公開日2024-07-31
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Discovery of 6-Formylpyridyl Urea Derivatives as Potent Reversible-Covalent Fibroblast Growth Factor Receptor 4 Inhibitors with Improved Anti-Hepatocellular Carcinoma Activity.
J.Med.Chem., 67, 2024
8ZNZ
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BU of 8znz by Molmil
CD73 bound with HB0045
分子名称: 5'-nucleotidase, CALCIUM ION, HB0038 Fab heavy chain, ...
著者Xu, J, Wan, L, He, Y.
登録日2024-05-28
公開日2025-02-05
最終更新日2025-02-19
実験手法ELECTRON MICROSCOPY (3.06 Å)
主引用文献An antibody cocktail targeting two different CD73 epitopes enhances enzyme inhibition and tumor control.
Nat Commun, 15, 2024
7LKA
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BU of 7lka by Molmil
Crystal structure of SARS-CoV-2 RBD-targeting antibody COV107-23
分子名称: ACETATE ION, COV107-23 heavy chain, COV107-23 light chain
著者Yuan, M, Zhu, X, Wilson, I.A, Wu, N.C.
登録日2021-02-02
公開日2021-02-10
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.981 Å)
主引用文献Sequence signatures of two public antibody clonotypes that bind SARS-CoV-2 receptor binding domain.
Nat Commun, 12, 2021
7LK9
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Crystal structure of SARS-CoV-2 RBD-targeting antibody COV107-23 HC + COVD21-C8 LC
分子名称: COV107-23 heavy chain, COVD21-C8 light chain
著者Yuan, M, Zhu, X, Wilson, I.A, Wu, N.C.
登録日2021-02-01
公開日2021-02-17
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Sequence signatures of two public antibody clonotypes that bind SARS-CoV-2 receptor binding domain.
Nat Commun, 12, 2021
4L53
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Crystal Structure of (1R,4R)-4-{4-[7-amino-2-(1,2,3-benzothiadiazol-7-yl)-3-chlorofuro[2,3-c]pyridin-4-yl]-1H-pyrazol-1-yl}cyclohexan-1-ol bound to TAK1-TAB1
分子名称: 1,2-ETHANEDIOL, Mitogen-activated protein kinase kinase kinase 7, TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 chimera, ...
著者Wang, J, Hornberger, K.R, Crew, A.P, Jestel, A, Maskos, K, Moertl, M.
登録日2013-06-10
公開日2013-07-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Discovery of 7-aminofuro[2,3-c]pyridine inhibitors of TAK1: Optimization of kinase selectivity and pharmacokinetics.
Bioorg.Med.Chem.Lett., 23, 2013
6IMK
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BU of 6imk by Molmil
The crystal structure of AsfvLIG:CG complex
分子名称: DNA (5'-D(*CP*CP*AP*GP*TP*CP*CP*GP*AP*CP*CP*CP*GP*CP*AP*TP*CP*CP*CP*GP*GP*A)-3'), DNA (5'-D(*TP*CP*CP*GP*GP*GP*AP*TP*GP*CP*GP*G)-3'), DNA (5'-D(P*GP*TP*CP*GP*GP*AP*CP*TP*GP*G)-3'), ...
著者Chen, Y.Q, Gan, J.H.
登録日2018-10-23
公開日2019-02-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.502 Å)
主引用文献Structure of the error-prone DNA ligase of African swine fever virus identifies critical active site residues.
Nat Commun, 10, 2019
1HFD
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BU of 1hfd by Molmil
HUMAN COMPLEMENT FACTOR D IN A P21 CRYSTAL FORM
分子名称: COMPLEMENT FACTOR D
著者Jing, H, Babu, Y.S, Moore, D, Kilpatrick, J.M, Liu, X.-Y, Volanakis, J.E, Narayana, S.V.L.
登録日1998-06-18
公開日1999-06-22
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structures of native and complexed complement factor D: implications of the atypical His57 conformation and self-inhibitory loop in the regulation of specific serine protease activity.
J.Mol.Biol., 282, 1998
1GTN
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BU of 1gtn by Molmil
Structure of the trp RNA-binding attenuation protein (TRAP) bound to an RNA molecule containing 11 GAGCC repeats
分子名称: (GAGCC)11G 56-NUCLEOTIDE RNA, TRP RNA-BINDING ATTENUATION PROTEIN, TRYPTOPHAN
著者Hopcroft, N.H, Wendt, A.L, Gollnick, P, Antson, A.A.
登録日2002-01-16
公開日2002-04-05
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Specificity of Trap-RNA Interactions: Crystal Structures of Two Complexes with Different RNA Sequences
Acta Crystallogr.,Sect.D, 58, 2002
8WA3
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BU of 8wa3 by Molmil
Cryo-EM structure of peptide free and Gs-coupled GIPR
分子名称: Gastric inhibitory polypeptide receptor,Fusion protein, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1,O-antigen polymerase, ...
著者Cong, Z.T, Zhao, F.H, Li, Y, Luo, G, Zhou, Q.T, Yang, D.H, Wang, M.W.
登録日2023-09-06
公開日2024-03-06
最終更新日2025-04-23
実験手法ELECTRON MICROSCOPY (2.86 Å)
主引用文献Molecular features of the ligand-free GLP-1R, GCGR and GIPR in complex with G s proteins.
Cell Discov, 10, 2024
8WG8
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BU of 8wg8 by Molmil
Cryo-EM structures of peptide free and Gs-coupled GCGR
分子名称: Glucagon receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Cong, Z.T, Zhao, F.H, Li, Y, Luo, G, Zhou, Q.T, Yang, D.H, Wang, M.W.
登録日2023-09-20
公開日2024-03-06
最終更新日2025-04-23
実験手法ELECTRON MICROSCOPY (2.71 Å)
主引用文献Molecular features of the ligand-free GLP-1R, GCGR and GIPR in complex with G s proteins.
Cell Discov, 10, 2024
8WG7
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BU of 8wg7 by Molmil
Cryo-EM structures of peptide free and Gs-coupled GLP-1R
分子名称: Glucagon-like peptide 1 receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Cong, Z.T, Zhao, F.H, Li, Y, Luo, G, Zhou, Q.T, Yang, D.H, Wang, M.W.
登録日2023-09-20
公開日2024-03-06
最終更新日2025-04-23
実験手法ELECTRON MICROSCOPY (2.54 Å)
主引用文献Molecular features of the ligand-free GLP-1R, GCGR and GIPR in complex with G s proteins.
Cell Discov, 10, 2024
9JKB
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BU of 9jkb by Molmil
Cryo-EM structure of the CUL1-RBX1-SKP1-FBXO4 SCF ubiquition ligase complex
分子名称: Cullin-1, E3 ubiquitin-protein ligase RBX1, N-terminally processed, ...
著者Zhu, W, Xu, C.
登録日2024-09-15
公開日2024-10-23
最終更新日2024-10-30
実験手法ELECTRON MICROSCOPY (3.93 Å)
主引用文献Structure of the CUL1-RBX1-SKP1-FBXO4 SCF ubiquitin ligase complex.
Biochem.Biophys.Res.Commun., 735, 2024
6IMJ
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BU of 6imj by Molmil
The crystal structure of Se-AsfvLIG:DNA complex
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CADMIUM ION, CHLORIDE ION, ...
著者Chen, Y.Q, Gan, J.H.
登録日2018-10-23
公開日2019-02-27
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.554 Å)
主引用文献Structure of the error-prone DNA ligase of African swine fever virus identifies critical active site residues.
Nat Commun, 10, 2019
8IL3
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BU of 8il3 by Molmil
Cryo-EM structure of CD38 in complex with FTL004
分子名称: ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1, Heavy chain, Light chain
著者Yang, J, Wang, Y, Zhang, G.
登録日2023-03-01
公開日2023-03-29
最終更新日2025-06-18
実験手法ELECTRON MICROSCOPY (3.86 Å)
主引用文献FTL004, an anti-CD38 mAb with negligible RBC binding and enhanced pro-apoptotic activity, is a novel candidate for treatments of multiple myeloma and non-Hodgkin lymphoma.
J Hematol Oncol, 15, 2022
8ZHK
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SARS-CoV-2 spike trimer (6P) in complex with three H18 Fabs, head-to-head aggregate (C3 symmetry)
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, Heavy chain of H18 Fab, ...
著者Yan, Q, Gao, X, Liu, B, Hou, R, He, P, Li, Z, Chen, Q, Wang, J, He, J, Chen, L, Zhao, J, Xiong, X.
登録日2024-05-11
公開日2024-08-21
最終更新日2024-11-13
実験手法ELECTRON MICROSCOPY (6.3 Å)
主引用文献Antibodies utilizing VL6-57 light chains target a convergent cryptic epitope on SARS-CoV-2 spike protein and potentially drive the genesis of Omicron variants.
Nat Commun, 15, 2024
8ZHE
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SARS-CoV-2 spike trimer (6P) in complex with three R1-26 Fabs
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, Heavy chain of R1-26 Fab, ...
著者Yan, Q, Gao, X, Liu, B, Hou, R, He, P, Li, Z, Chen, Q, Wang, J, He, J, Chen, L, Zhao, J, Xiong, X.
登録日2024-05-10
公開日2024-08-21
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (3.16 Å)
主引用文献Antibodies utilizing VL6-57 light chains target a convergent cryptic epitope on SARS-CoV-2 spike protein and potentially drive the genesis of Omicron variants.
Nat Commun, 15, 2024
8ZHP
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Dimer of SARS-CoV-2 S1 in complex with H18 and R1-32 Fabs
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of H18 Fab, Heavy chain of R1-32 Fab, ...
著者Yan, Q, Gao, X, Liu, B, Hou, R, He, P, Li, Z, Chen, Q, Wang, J, He, J, Chen, L, Zhao, J, Xiong, X.
登録日2024-05-11
公開日2024-08-21
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (3.66 Å)
主引用文献Antibodies utilizing VL6-57 light chains target a convergent cryptic epitope on SARS-CoV-2 spike protein and potentially drive the genesis of Omicron variants.
Nat Commun, 15, 2024
8ZHF
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SARS-CoV-2 spike trimer (6P) in complex with R1-26 Fab, head-to-head aggregate
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, Heavy chain of R1-26 Fab, ...
著者Yan, Q, Gao, X, Liu, B, Hou, R, He, P, Li, Z, Chen, Q, Wang, J, He, J, Chen, L, Zhao, J, Xiong, X.
登録日2024-05-10
公開日2024-08-21
最終更新日2024-11-13
実験手法ELECTRON MICROSCOPY (5.26 Å)
主引用文献Antibodies utilizing VL6-57 light chains target a convergent cryptic epitope on SARS-CoV-2 spike protein and potentially drive the genesis of Omicron variants.
Nat Commun, 15, 2024
8ZHN
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SARS-CoV-2 spike trimer (6P) in complex with three H18 and three R1-32 Fabs (one RBD rotated)
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, Heavy chain of H18 Fab, ...
著者Yan, Q, Gao, X, Liu, B, Hou, R, He, P, Li, Z, Chen, Q, Wang, J, He, J, Chen, L, Zhao, J, Xiong, X.
登録日2024-05-11
公開日2024-08-21
最終更新日2024-11-06
実験手法ELECTRON MICROSCOPY (4.12 Å)
主引用文献Antibodies utilizing VL6-57 light chains target a convergent cryptic epitope on SARS-CoV-2 spike protein and potentially drive the genesis of Omicron variants.
Nat Commun, 15, 2024

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