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6P2V
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BU of 6p2v by Molmil
RebH Variant 10S, Tryptamine 5-halogenase
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Flavin-dependent tryptophan halogenase RebH
著者Andorfer, M.C, Sukumar, N, Lewis, J.C.
登録日2019-05-22
公開日2020-05-27
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.553 Å)
主引用文献Structural and Computational Analysis of Laboratory-Evolved Halogenases Reveals Molecular Details of Site-Selectivity
To Be Published
5UGH
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BU of 5ugh by Molmil
Crystal structure of Mat2a bound to the allosteric inhibitor PF-02929366
分子名称: 2-(7-chloro-5-phenyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)-N,N-dimethylethan-1-amine, S-adenosylmethionine synthase isoform type-2
著者Kaiser, S.E, Feng, J, Stewart, A.E.
登録日2017-01-08
公開日2017-05-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.062 Å)
主引用文献Targeting S-adenosylmethionine biosynthesis with a novel allosteric inhibitor of Mat2A.
Nat. Chem. Biol., 13, 2017
6P00
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BU of 6p00 by Molmil
RebH Variant 8F, Tryptamine 6-halogenase
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Flavin-dependent tryptophan halogenase RebH
著者Andorfer, M.C, Sukumar, N, Lewis, J.C.
登録日2019-05-16
公開日2020-05-27
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.249 Å)
主引用文献Structural and Computational Analysis of Laboratory-Evolved Halogenases Reveals Molecular Details of Site-Selectivity
To Be Published
4X3X
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BU of 4x3x by Molmil
The crystal structure of Arc C-lobe
分子名称: Activity-regulated cytoskeleton-associated protein
著者Zhang, W, Ward, M, Leahy, D, Worley, P.
登録日2014-12-01
公開日2015-06-03
最終更新日2017-09-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis of arc binding to synaptic proteins: implications for cognitive disease.
Neuron, 86, 2015
4X3H
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BU of 4x3h by Molmil
CRYSTAL STRUCTURE OF ARC N-LOBE COMPLEXED WITH STARGAZIN PEPTIDE
分子名称: Activity-regulated cytoskeleton-associated protein, VOLTAGE-DEPENDENT CALCIUM CHANNEL GAMMA-2 SUBUNIT
著者zhang, W, ward, m, leahy, d, worley, p.
登録日2014-11-30
公開日2015-06-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.401 Å)
主引用文献Structural basis of arc binding to synaptic proteins: implications for cognitive disease.
Neuron, 86, 2015
4X3I
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BU of 4x3i by Molmil
The crystal structure of Arc N-lobe complexed with CAMK2A fragment
分子名称: Activity-regulated cytoskeleton-associated protein, CALCIUM/CALMODULIN-DEPENDENT PROTEIN KINASE TYPE II SUBUNIT ALPHA
著者Zhang, W, Ward, M, Leahy, D, Worley, P.
登録日2014-11-30
公開日2015-06-03
最終更新日2017-09-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural basis of arc binding to synaptic proteins: implications for cognitive disease.
Neuron, 86, 2015
7WVL
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BU of 7wvl by Molmil
Structure of P4A2 Fab in complex with Spike-RBD from SARS-CoV-2
分子名称: P4A2 Fab Light Chain, P4A2 Fab heavy chain, Spike protein S1
著者Narayanan, N, Nair, D.T.
登録日2022-02-10
公開日2022-12-07
最終更新日2022-12-21
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献A broadly neutralizing monoclonal antibody overcomes the mutational landscape of emerging SARS-CoV-2 variants of concern.
Plos Pathog., 18, 2022
8YKI
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BU of 8yki by Molmil
FGFR-1 in complex with ligand tasurgratinib
分子名称: CHLORIDE ION, Fibroblast growth factor receptor 1, Tasurgratinib
著者Ikemori-Kawada, M, Watanabe Miyano, S.
登録日2024-03-05
公開日2024-06-12
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Antitumor Activity of Tasurgratinib as an Orally Available FGFR1-3 Inhibitor in Cholangiocarcinoma Models With FGFR2-fusion.
Anticancer Res., 44, 2024
6JB2
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BU of 6jb2 by Molmil
Crystal structure of nanobody D3-L11 mutant Y102A in complex with hen egg-white lysozyme
分子名称: CHLORIDE ION, GLYCEROL, Lysozyme C, ...
著者Caaveiro, J.M.M, Tamura, H, Akiba, H, Tsumoto, K.
登録日2019-01-25
公開日2019-11-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural and thermodynamic basis for the recognition of the substrate-binding cleft on hen egg lysozyme by a single-domain antibody.
Sci Rep, 9, 2019
6JB9
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BU of 6jb9 by Molmil
Crystal structure of nanobody D3-L11 (unbound form)
分子名称: Nanobody D3-L11, SULFATE ION
著者Caaveiro, J.M.M, Tamura, H, Akiba, H, Tsumoto, K.
登録日2019-01-25
公開日2019-11-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Structural and thermodynamic basis for the recognition of the substrate-binding cleft on hen egg lysozyme by a single-domain antibody.
Sci Rep, 9, 2019
8HHT
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BU of 8hht by Molmil
Crystal structure of the SARS-CoV-2 main protease in complex with Hit-1
分子名称: 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, ~{N}-[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(1,3-thiazol-2-ylmethylamino)butan-2-yl]benzamide
著者Zeng, R, Xie, L.W, Huang, C, Wang, K, Liu, Y.Z, Yang, S.Y, Lei, J.
登録日2022-11-17
公開日2023-03-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献A new generation M pro inhibitor with potent activity against SARS-CoV-2 Omicron variants.
Signal Transduct Target Ther, 8, 2023
8HHU
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BU of 8hhu by Molmil
Crystal structure of the SARS-CoV-2 main protease in complex with SY110
分子名称: (1~{R})-3,3-bis(fluoranyl)-~{N}-[(2~{R})-3-methoxy-1-oxidanylidene-1-[[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(1,3-thiazol-2-ylmethylamino)butan-2-yl]amino]propan-2-yl]cyclohexane-1-carboxamide, 3C-like proteinase nsp5
著者Zeng, R, Xie, L.W, Huang, C, Wang, K, Liu, Y.Z, Yang, S.Y, Lei, J.
登録日2022-11-17
公開日2023-03-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.258 Å)
主引用文献A new generation M pro inhibitor with potent activity against SARS-CoV-2 Omicron variants.
Signal Transduct Target Ther, 8, 2023
1QJZ
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BU of 1qjz by Molmil
Three Dimensional Structure of Physalis Mottle Virus : Implications for the Viral Assembly
分子名称: COAT PROTEIN
著者Krishna, S.S, Hiremath, C.N, Munshi, S.K, Prahadeeswaran, D, Sastri, M, Savithri, H.S, Murthy, M.R.N.
登録日1999-07-07
公開日1999-07-08
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (3.8 Å)
主引用文献Three Dimensional Structure of Physalis Movirus: Implications for the Viral Assembly
J.Mol.Biol., 289, 1999
8HTR
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BU of 8htr by Molmil
Crystal structure of Bcl2 in complex with S-9c
分子名称: 4-[4-[(2~{S})-2-(2-chlorophenyl)pyrrolidin-1-yl]phenyl]-~{N}-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide, Apoptosis regulator Bcl-2
著者Liu, J, Xu, M, Feng, Y, Liu, Y.
登録日2022-12-21
公開日2024-05-15
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Discovery of the Clinical Candidate Sonrotoclax (BGB-11417), a Highly Potent and Selective Inhibitor for Both WT and G101V Mutant Bcl-2.
J.Med.Chem., 67, 2024
8HTS
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BU of 8hts by Molmil
Crystal structure of Bcl2 in complex with S-10r
分子名称: 4-[2-[(2~{S})-2-(2-cyclopropylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-~{N}-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide, Apoptosis regulator Bcl-2
著者Liu, J, Xu, M, Feng, Y, Liu, Y.
登録日2022-12-21
公開日2024-05-15
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Discovery of the Clinical Candidate Sonrotoclax (BGB-11417), a Highly Potent and Selective Inhibitor for Both WT and G101V Mutant Bcl-2.
J.Med.Chem., 67, 2024
3ZD2
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BU of 3zd2 by Molmil
THE STRUCTURE OF THE TWO N-TERMINAL DOMAINS OF COMPLEMENT FACTOR H RELATED PROTEIN 1 SHOWS FORMATION OF A NOVEL DIMERISATION INTERFACE
分子名称: 1,2-ETHANEDIOL, COMPLEMENT FACTOR H-RELATED PROTEIN 1
著者Caesar, J.J.E, Goicoechea de Jorge, E, Pickering, M.C, Lea, S.M.
登録日2012-11-23
公開日2013-03-13
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Dimerization of Complement Factor H-Related Proteins Modulates Complement Activation in Vivo.
Proc.Natl.Acad.Sci.USA, 110, 2013
6CG6
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BU of 6cg6 by Molmil
mouse cadherin-10 EC1-2 adhesive fragment
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, Cadherin-10, ...
著者Brasch, J, Harrison, O.J, Shapiro, L.
登録日2018-02-19
公開日2018-05-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.707 Å)
主引用文献Homophilic and Heterophilic Interactions of Type II Cadherins Identify Specificity Groups Underlying Cell-Adhesive Behavior.
Cell Rep, 23, 2018
6CGU
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BU of 6cgu by Molmil
mouse cadherin-6 EC1-2 adhesive fragment
分子名称: CALCIUM ION, Cadherin-6
著者Brasch, J, Harrison, O.J, Shapiro, L.
登録日2018-02-20
公開日2018-05-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Homophilic and Heterophilic Interactions of Type II Cadherins Identify Specificity Groups Underlying Cell-Adhesive Behavior.
Cell Rep, 23, 2018
6CGB
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BU of 6cgb by Molmil
chimera of mouse cadherin-11 EC1 and mouse cadherin-6 EC2
分子名称: ACETATE ION, CALCIUM ION, Cadherin-11, ...
著者Brasch, J, Harrison, O.J, Shapiro, L, Kaeser, B.
登録日2018-02-19
公開日2018-05-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.994 Å)
主引用文献Homophilic and Heterophilic Interactions of Type II Cadherins Identify Specificity Groups Underlying Cell-Adhesive Behavior.
Cell Rep, 23, 2018
6DIG
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BU of 6dig by Molmil
Crystal structure of DQA1*01:02/DQB1*06:02 in complex with a hypocretin peptide
分子名称: 13-mer peptide: ALA-GLY-ASN-HIS-ALA-ALA-GLY-ILE-LEU-THR-LEU-GLY-LYS, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Birtley, J.R, Stern, L.J, Mellins, E.D, Jiang, W.
登録日2018-05-23
公開日2019-05-08
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献In vivo clonal expansion and phenotypes of hypocretin-specific CD4+T cells in narcolepsy patients and controls.
Nat Commun, 10, 2019
3SBD
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BU of 3sbd by Molmil
Crystal structure of RAC1 P29S mutant
分子名称: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Ras-related C3 botulinum toxin substrate 1
著者Ha, B.H, Boggon, T.J.
登録日2011-06-03
公開日2012-07-18
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Exome sequencing identifies recurrent somatic RAC1 mutations in melanoma.
Nat.Genet., 44, 2012
6LGW
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BU of 6lgw by Molmil
Structure of Rabies virus glycoprotein in complex with neutralizing antibody 523-11 at acidic pH
分子名称: Glycoprotein, scFv 523-11
著者Yang, F.L, Lin, S, Ye, F, Yang, J, Qi, J.X, Chen, Z.J, Lin, X, Wang, J.C, Yue, D, Cheng, Y.W, Chen, Z.M, Chen, H, You, Y, Zhang, Z.L, Yang, Y, Yang, M, Sun, H.L, Li, Y.H, Cao, Y, Yang, S.Y, Wei, Y.Q, Gao, G.F, Lu, G.W.
登録日2019-12-06
公開日2020-02-19
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.9037 Å)
主引用文献Structural Analysis of Rabies Virus Glycoprotein Reveals pH-Dependent Conformational Changes and Interactions with a Neutralizing Antibody.
Cell Host Microbe, 27, 2020
6LGX
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BU of 6lgx by Molmil
Structure of Rabies virus glycoprotein at basic pH
分子名称: Glycoprotein,Glycoprotein,Glycoprotein
著者Yang, F.L, Lin, S, Ye, F, Yang, J, Qi, J.X, Chen, Z.J, Lin, X, Wang, J.C, Yue, D, Cheng, Y.W, Chen, Z.M, Chen, H, You, Y, Zhang, Z.L, Yang, Y, Yang, M, Sun, H.L, Li, Y.H, Cao, Y, Yang, S.Y, Wei, Y.Q, Gao, G.F, Lu, G.W.
登録日2019-12-06
公開日2020-02-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.097 Å)
主引用文献Structural Analysis of Rabies Virus Glycoprotein Reveals pH-Dependent Conformational Changes and Interactions with a Neutralizing Antibody.
Cell Host Microbe, 27, 2020
3SBE
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BU of 3sbe by Molmil
Crystal structure of RAC1 P29S mutant
分子名称: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Ras-related C3 botulinum toxin substrate 1
著者Ha, B.H, Boggon, T.J.
登録日2011-06-03
公開日2012-07-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Exome sequencing identifies recurrent somatic RAC1 mutations in melanoma.
Nat.Genet., 44, 2012
8UHB
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BU of 8uhb by Molmil
Cryo-EM Structure of the Ro5256390-bound hTA1-Gs heterotrimer signaling complex
分子名称: (2R,4S)-4-[(2S)-2-phenylbutyl]-1,3-oxazolidin-2-amine, 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Zilberg, G, Warren, A.L, Parpounas, A.K, Wacker, D.
登録日2023-10-08
公開日2024-01-10
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (3.35 Å)
主引用文献Molecular basis of human trace amine-associated receptor 1 activation.
Nat Commun, 15, 2024

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