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6O9I
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BU of 6o9i by Molmil
Ternary complex of mouse ECD with Fab1 and Fab2
分子名称: 1,2-ETHANEDIOL, Fab 2 heavy chain, Fab1 heavy chain, ...
著者Min, X, Wang, Z.
登録日2019-03-13
公開日2020-01-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Molecular mechanism of an antagonistic antibody against glucose-dependent insulinotropic polypeptide receptor.
Mabs, 12, 2020
4L08
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BU of 4l08 by Molmil
Crystal structure of the maleamate amidase Ami(C149A) in complex with maleate from Pseudomonas putida S16
分子名称: Hydrolase, isochorismatase family, MALEIC ACID
著者Chen, D.D, Lu, Y, Zhang, Z, Wu, G, Xu, P.
登録日2013-05-31
公開日2014-07-16
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.66 Å)
主引用文献Structural insights into the specific recognition of N-heterocycle biodenitrogenation-derived substrates by microbial amide hydrolases.
Mol.Microbiol., 91, 2014
2MAW
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BU of 2maw by Molmil
NMR structures of the alpha7 nAChR transmembrane domain.
分子名称: Neuronal acetylcholine receptor subunit alpha-7
著者Bondarenko, V, Mowrey, D, Xu, Y, Tang, P.
登録日2013-07-19
公開日2013-11-13
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Insights into distinct modulation of alpha 7 and alpha 7 beta 2 nicotinic acetylcholine receptors by the volatile anesthetic isoflurane.
J.Biol.Chem., 288, 2013
7RBT
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BU of 7rbt by Molmil
cryo-EM structure of human Gastric inhibitory polypeptide receptor GIPR bound to tirzepatide
分子名称: 2-fluoro-4-[(1R)-6-methoxy-1-methyl-2-{(1S)-1-[4-(propan-2-yl)phenyl]ethyl}-1,2,3,4-tetrahydroisoquinolin-5-yl]-6-[(2-methylpropyl)amino]phenol, Gastric inhibitory polypeptide receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Sun, B, Kobilka, B.K, Sloop, K.W, Feng, D, Kobilka, T.S.
登録日2021-07-06
公開日2022-04-13
実験手法ELECTRON MICROSCOPY (3.08 Å)
主引用文献Structural determinants of dual incretin receptor agonism by tirzepatide.
Proc.Natl.Acad.Sci.USA, 119, 2022
7RGP
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BU of 7rgp by Molmil
cryo-EM of human Glucagon-like peptide 1 receptor GLP-1R bound to tirzepatide
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Sun, B, Kobilka, B.K, Sloop, K.W, Feng, D, Kobilka, T.S.
登録日2021-07-15
公開日2022-04-13
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structural determinants of dual incretin receptor agonism by tirzepatide.
Proc.Natl.Acad.Sci.USA, 119, 2022
7RA3
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BU of 7ra3 by Molmil
cryo-EM of human Gastric inhibitory polypeptide receptor GIPR bound to GIP
分子名称: Gastric inhibitory polypeptide, Gastric inhibitory polypeptide receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Sun, B, Kobilka, B.K, Sloop, K.W, Feng, D, Kobilka, T.S.
登録日2021-06-29
公開日2022-04-13
実験手法ELECTRON MICROSCOPY (3.24 Å)
主引用文献Structural determinants of dual incretin receptor agonism by tirzepatide.
Proc.Natl.Acad.Sci.USA, 119, 2022
7RG9
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BU of 7rg9 by Molmil
cryo-EM of human Glucagon-like peptide 1 receptor GLP-1R in apo form
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Sun, B, Kobilka, B.K, Sloop, K.W, Feng, D, Kobilka, T.S.
登録日2021-07-14
公開日2022-04-13
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structural determinants of dual incretin receptor agonism by tirzepatide.
Proc.Natl.Acad.Sci.USA, 119, 2022
8X6B
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BU of 8x6b by Molmil
Crystal structure of immune receptor PVRIG in complex with ligand Nectin-2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Nectin-2, Transmembrane protein PVRIG
著者Hu, S.T, Han, P, Wang, H, Qi, J.X.
登録日2023-11-21
公開日2024-04-24
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis for the immune recognition and selectivity of the immune receptor PVRIG for ligand Nectin-2.
Structure, 2024
8Y33
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BU of 8y33 by Molmil
A near-infrared fluorescent protein of de novo backbone design
分子名称: 3-[5-[(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-2-[[5-[(3-ethyl-4-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{H}-pyrrol-2-yl]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid, near-infrared fluorescent protein
著者Hu, X, Xu, Y.
登録日2024-01-28
公開日2024-02-28
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Using Protein Design and Directed Evolution to Monomerize a Bright Near-Infrared Fluorescent Protein.
Acs Synth Biol, 13, 2024
8I6V
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BU of 8i6v by Molmil
Cryo-EM structure of the polyphosphate polymerase VTC complex(Vtc4/Vtc3/Vtc1)
分子名称: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, MANGANESE (II) ION, PHOSPHATE ION, ...
著者Mayer, A, Wu, S, Ye, S.
登録日2023-01-29
公開日2023-03-01
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.06 Å)
主引用文献Cryo-EM structure of the polyphosphate polymerase VTC reveals coupling of polymer synthesis to membrane transit.
Embo J., 42, 2023
8I8Y
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BU of 8i8y by Molmil
A mutant of the C-terminal complex of proteins 4.1G and NuMA
分子名称: Engineered protein
著者Hu, X.
登録日2023-02-06
公開日2023-04-19
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Combined prediction and design reveals the target recognition mechanism of an intrinsically disordered protein interaction domain.
Proc.Natl.Acad.Sci.USA, 120, 2023
7JR7
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BU of 7jr7 by Molmil
Cryo-EM structure of ABCG5/G8 in complex with Fab 2E10 and 11F4
分子名称: ATP-binding cassette sub-family G member 5, ATP-binding cassette sub-family G member 8, Fab 11F4 heavy chain, ...
著者Huang, C.S, Yu, X, Min, X, Wang, Z, Zhang, H.
登録日2020-08-11
公開日2021-04-07
最終更新日2021-05-12
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Cryo-EM structure of ABCG5/G8 in complex with modulating antibodies
Commun Biol, 4, 2021
6DQB
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BU of 6dqb by Molmil
LINKED KDM5A JMJ DOMAIN FORMING COVALENT BOND TO INHIBITOR N71 i.e. 2-((3-(4-(dimethylamino)but-2-enamido)phenyl)(2-(piperidin-1-yl)ethoxy)methyl)thieno[3,2-b]pyridine-7-carboxylic acid
分子名称: 2-{(R)-(3-{[(2E)-4-(dimethylamino)but-2-enoyl]amino}phenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid, 2-{(R)-(3-{[4-(dimethylamino)butanoyl]amino}phenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid, 2-{(S)-(3-{[4-(dimethylamino)butanoyl]amino}phenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid, ...
著者Horton, J.R, Cheng, X.
登録日2018-06-10
公開日2018-11-21
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.791 Å)
主引用文献Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A.
J. Med. Chem., 61, 2018
6DQ8
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BU of 6dq8 by Molmil
LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR N49 i.e. 2-((2-chlorophenyl)(2-(1-methylpyrrolidin-2-yl)ethoxy)methyl)thieno[3,2-b]pyridine-7-carboxylic acid
分子名称: 1,2-ETHANEDIOL, 2-[(R)-(2-chlorophenyl){2-[(2S)-1-methylpyrrolidin-2-yl]ethoxy}methyl]thieno[3,2-b]pyridine-7-carboxylic acid, 2-[(S)-(2-chlorophenyl){2-[(2S)-1-methylpyrrolidin-2-yl]ethoxy}methyl]thieno[3,2-b]pyridine-7-carboxylic acid, ...
著者Horton, J.R, Cheng, X.
登録日2018-06-10
公開日2018-11-21
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A.
J. Med. Chem., 61, 2018
6DQ6
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BU of 6dq6 by Molmil
LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR N44 i.e. 3-((2-(pyridin-2-yl)-6-(4-(vinylsulfonyl)-1,4-diazepan-1-yl)pyrimidin-4-yl)amino)propanoic acid
分子名称: DIMETHYL SULFOXIDE, GLYCEROL, Linked KDM5A Jmj Domain, ...
著者Horton, J.R, Cheng, X.
登録日2018-06-10
公開日2018-11-21
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.587 Å)
主引用文献Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A.
J. Med. Chem., 61, 2018
6DQA
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BU of 6dqa by Molmil
Linked KDM5A JMJ Domain Bound to Inhibitor N70 i.e.[2-((3-aminophenyl)(2-(piperidin-1-yl)ethoxy)methyl)thieno[3,2-b]pyridine-7-carboxylic acid]
分子名称: 1,2-ETHANEDIOL, 2-{(R)-(3-aminophenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid, GLYCEROL, ...
著者Horton, J.R, Cheng, X.
登録日2018-06-10
公開日2018-11-21
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.888 Å)
主引用文献Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A.
J. Med. Chem., 61, 2018
6UMI
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BU of 6umi by Molmil
Crystal structure of erenumab Fab-b
分子名称: erenumab Fab heavy chain, IgG1, erenumab Fab light chain
著者Mohr, C.
登録日2019-10-09
公開日2020-02-12
最終更新日2020-02-26
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Molecular Insight into Recognition of the CGRPR Complex by Migraine Prevention Therapy Aimovig (Erenumab).
Cell Rep, 30, 2020
6UMH
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BU of 6umh by Molmil
Crystal structure of erenumab Fab-a
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,3-PROPANDIOL, PHOSPHATE ION, ...
著者Mohr, C.
登録日2019-10-09
公開日2020-02-12
最終更新日2020-02-26
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Molecular Insight into Recognition of the CGRPR Complex by Migraine Prevention Therapy Aimovig (Erenumab).
Cell Rep, 30, 2020
6UMJ
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BU of 6umj by Molmil
Crystal structure of erenumab Fab-c
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,3-BUTANEDIOL, erenumab Fab heavy chain, ...
著者Mohr, C.
登録日2019-10-09
公開日2020-02-12
最終更新日2020-02-26
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Molecular Insight into Recognition of the CGRPR Complex by Migraine Prevention Therapy Aimovig (Erenumab).
Cell Rep, 30, 2020
6VCB
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BU of 6vcb by Molmil
Cryo-EM structure of the Glucagon-like peptide-1 receptor in complex with G protein, GLP-1 peptide and a positive allosteric modulator
分子名称: 1-[(1R)-1-(2,6-dichloro-3-methoxyphenyl)ethyl]-6-{2-[(2R)-piperidin-2-yl]phenyl}-1H-benzimidazole, Glucagon-like peptide 1, Glucagon-like peptide 1 receptor, ...
著者Sun, B, Feng, D, Bueno, A, Kobilka, B, Sloop, K.
登録日2019-12-20
公開日2020-07-22
最終更新日2020-09-30
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structural insights into probe-dependent positive allosterism of the GLP-1 receptor.
Nat.Chem.Biol., 16, 2020
7U6E
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BU of 7u6e by Molmil
Head region of insulin receptor ectodomain (A-isoform) bound to the non-insulin agonist IM462
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, IM462, ...
著者Kirk, N.S, Lawrence, M.C.
登録日2022-03-03
公開日2022-10-05
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Activation of the human insulin receptor by non-insulin-related peptides
Nat Commun, 13, 2022
4ZSO
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BU of 4zso by Molmil
Crystal structure of a complex between B7-H6, a tumor cell ligand for natural cytotoxicity receptor NKp30, and an inhibitory antibody
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ACETIC ACID, ...
著者Xu, X, Li, Y, Mariuzza, R.A.
登録日2015-05-13
公開日2016-05-18
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of a complex between B7-H6, a tumor cell ligand for natural cytotoxicity receptor NKp30, and an inhibitory antibody
to be published
7U6D
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BU of 7u6d by Molmil
Head region of insulin receptor ectodomain (A-isoform) bound to the non-insulin agonist IM459
分子名称: IM459, Isoform Short of Insulin receptor
著者Kirk, N.S, Lawrence, M.C.
登録日2022-03-03
公開日2022-10-05
実験手法ELECTRON MICROSCOPY (5.03 Å)
主引用文献Activation of the human insulin receptor by non-insulin-related peptides
Nat Commun, 13, 2022
6WF5
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BU of 6wf5 by Molmil
Crystal structure of human Naa50 in complex with a truncated cofactor derived inhibitor (compound 2)
分子名称: (2R)-2-hydroxy-3,3-dimethyl-N-{3-oxo-3-[(2-sulfanylethyl)amino]propyl}butanamide, ACE-MET-LEU-GLY-PRO-NH2, N-alpha-acetyltransferase 50
著者Greasley, S.E, Feng, J, Deng, Y.-L, Stewart, A.E.
登録日2020-04-03
公開日2020-07-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Characterization of SpecificN-alpha-Acetyltransferase 50 (Naa50) Inhibitors Identified Using a DNA Encoded Library.
Acs Med.Chem.Lett., 11, 2020
6WFG
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BU of 6wfg by Molmil
Crystal structure of human Naa50 in complex with an inhibitor (compound 3) identified using DNA encoded library technology
分子名称: (2S)-N-[(2S)-3-[1-(3-tert-butyl-1-methyl-1H-pyrazole-5-carbonyl)piperidin-4-yl]-1-(methylamino)-1-oxopropan-2-yl]-6-oxopiperidine-2-carboxamide, COENZYME A, N-alpha-acetyltransferase 50
著者Greasley, S.E, Feng, J, Deng, Y.-L, Stewart, A.E.
登録日2020-04-03
公開日2020-07-01
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Characterization of SpecificN-alpha-Acetyltransferase 50 (Naa50) Inhibitors Identified Using a DNA Encoded Library.
Acs Med.Chem.Lett., 11, 2020

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