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7L7D
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BU of 7l7d by Molmil
Crystal structure of SARS-CoV-2 spike RBD in complex with human monoclonal antibody AZD8895
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Spike protein S1, ...
著者Dong, J, Crowe, J.E.
登録日2020-12-28
公開日2021-09-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Genetic and structural basis for SARS-CoV-2 variant neutralization by a two-antibody cocktail.
Nat Microbiol, 6, 2021
7L7E
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BU of 7l7e by Molmil
Crystal structure of SARS-CoV-2 spike RBD in complex with human monoclonal antibodies AZD8895 and AZD1061
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, PHOSPHATE ION, Spike protein S1, ...
著者Dong, J, Crowe, J.E.
登録日2020-12-28
公開日2021-09-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Genetic and structural basis for SARS-CoV-2 variant neutralization by a two-antibody cocktail.
Nat Microbiol, 6, 2021
6VEN
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BU of 6ven by Molmil
Yeast COMPASS in complex with a ubiquitinated nucleosome
分子名称: 601 DNA (146-MER), COMPASS component BRE2, COMPASS component SDC1, ...
著者Worden, E.J, Wolberger, C.
登録日2020-01-02
公開日2020-01-15
最終更新日2020-01-22
実験手法ELECTRON MICROSCOPY (3.37 Å)
主引用文献Structural basis for COMPASS recognition of an H2B-ubiquitinated nucleosome.
Elife, 9, 2020
6LYG
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BU of 6lyg by Molmil
Cryo-EM structure of the calcium homeostasis modulator 1 channel
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Calcium homeostasis modulator 1
著者Ren, Y, Yang, X, Shen, Y.
登録日2020-02-14
公開日2020-10-07
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Cryo-EM structure of the calcium homeostasis modulator 1 channel.
Sci Adv, 6, 2020
6UUS
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BU of 6uus by Molmil
CryoEM Structure of the active Adrenomedullin 2 receptor G protein complex with adrenomedullin peptide
分子名称: ADM, Calcitonin gene-related peptide type 1 receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Belousoff, M.J, Liang, Y.L, Sexton, P, Danev, R.
登録日2019-10-31
公開日2020-04-01
最終更新日2020-04-29
実験手法ELECTRON MICROSCOPY (2.4 Å)
主引用文献Structure and Dynamics of Adrenomedullin Receptors AM1and AM2Reveal Key Mechanisms in the Control of Receptor Phenotype by Receptor Activity-Modifying Proteins.
Acs Pharmacol Transl Sci, 3, 2020
6UVA
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BU of 6uva by Molmil
CryoEM Structure of the active Adrenomedullin 2 receptor G protein complex with adrenomedullin 2 peptide
分子名称: Calcitonin gene-related peptide type 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Belousoff, M.J, Liang, Y.L, Sexton, P, Danev, R.
登録日2019-11-01
公開日2020-04-01
最終更新日2020-04-29
実験手法ELECTRON MICROSCOPY (2.3 Å)
主引用文献Structure and Dynamics of Adrenomedullin Receptors AM1and AM2Reveal Key Mechanisms in the Control of Receptor Phenotype by Receptor Activity-Modifying Proteins.
Acs Pharmacol Transl Sci, 3, 2020
4N7M
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BU of 4n7m by Molmil
Tailoring Small Molecules for an Allosteric Site on Procaspase-6
分子名称: 3-(pyrrolidin-1-yl)isoquinolin-1(2H)-one, Caspase-6, PHOSPHATE ION
著者Murray, J.M, Steffek, M.
登録日2013-10-15
公開日2013-12-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.125 Å)
主引用文献Tailoring small molecules for an allosteric site on procaspase-6.
Chemmedchem, 9, 2014
6MG1
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BU of 6mg1 by Molmil
C-terminal bZIP domain of human C/EBPbeta with 16bp Methylated Oligonucleotide Containing Consensus Recognition Sequence-C2 Crystal Form
分子名称: 1,2-ETHANEDIOL, 16-bp methylated oligonucleotide, CCAAT/enhancer-binding protein beta, ...
著者Horton, J.R, Cheng, X, Yang, J.
登録日2018-09-12
公開日2018-12-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural basis for effects of CpA modifications on C/EBP beta binding of DNA.
Nucleic Acids Res., 47, 2019
4N6G
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BU of 4n6g by Molmil
Tailoring Small Molecules for an Allosteric Site on Procaspase-6
分子名称: 3-(pyrrolidin-1-yl)isoquinolin-1(2H)-one, Caspase-6, PHOSPHATE ION
著者Murray, J.M, Steffek, M.
登録日2013-10-11
公開日2014-01-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.142 Å)
主引用文献Tailoring small molecules for an allosteric site on procaspase-6.
Chemmedchem, 9, 2014
6MBK
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BU of 6mbk by Molmil
SETD3, a Histidine Methyltransferase, in Complex with an Actin Peptide and SAH, First P212121 Crystal Form
分子名称: 1,2-ETHANEDIOL, Actin peptide, GLYCEROL, ...
著者Horton, J.R, Dai, S, Cheng, X.
登録日2018-08-30
公開日2018-12-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献SETD3 is an actin histidine methyltransferase that prevents primary dystocia.
Nature, 565, 2019
6MBL
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BU of 6mbl by Molmil
SETD3, a Histidine Methyltransferase, in Complex with an Actin Peptide and SAH, Second P212121 Crystal Form
分子名称: 1,2-ETHANEDIOL, Actin Peptide, Histone-lysine N-methyltransferase setd3, ...
著者Horton, J.R, Dai, S, Cheng, X.
登録日2018-08-30
公開日2018-12-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.197 Å)
主引用文献SETD3 is an actin histidine methyltransferase that prevents primary dystocia.
Nature, 565, 2019
6MG3
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BU of 6mg3 by Molmil
V285A Mutant of the C-terminal bZIP domain of human C/EBPbeta with 16bp Methylated Oligonucleotide Containing Consensus Recognition Sequence
分子名称: 1,2-ETHANEDIOL, 16-bp methylated oligonucleotide, CCAAT/enhancer-binding protein beta
著者Horton, J.R, Cheng, X, Yang, J.
登録日2018-09-12
公開日2018-12-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural basis for effects of CpA modifications on C/EBP beta binding of DNA.
Nucleic Acids Res., 47, 2019
6MG2
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BU of 6mg2 by Molmil
C-terminal bZIP domain of human C/EBPbeta with 16bp Methylated Oligonucleotide Containing Consensus Recognition Sequence-C2221 Crystal Form
分子名称: 1,2-ETHANEDIOL, 16-bp methylated oligonucleotide, CCAAT/enhancer-binding protein beta
著者Horton, J.R, Cheng, X, Yang, J.
登録日2018-09-12
公開日2018-12-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.928 Å)
主引用文献Structural basis for effects of CpA modifications on C/EBP beta binding of DNA.
Nucleic Acids Res., 47, 2019
6UUN
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BU of 6uun by Molmil
CryoEM Structure of the active Adrenomedullin 1 receptor G protein complex with adrenomedullin peptide
分子名称: ADM, Calcitonin gene-related peptide type 1 receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Belousoff, M.J, Liang, Y.L, Sexton, P, Danev, R.
登録日2019-10-30
公開日2020-03-25
最終更新日2020-04-29
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structure and Dynamics of Adrenomedullin Receptors AM1and AM2Reveal Key Mechanisms in the Control of Receptor Phenotype by Receptor Activity-Modifying Proteins.
Acs Pharmacol Transl Sci, 3, 2020
4N7J
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BU of 4n7j by Molmil
Tailoring Small Molecules for an Allosteric Site on Procaspase-6
分子名称: 3-(pyrrolidin-1-yl)isoquinolin-1(2H)-one, Caspase-6, PHOSPHATE ION
著者Murray, J.M, Steffek, M.
登録日2013-10-15
公開日2013-12-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.673 Å)
主引用文献Tailoring small molecules for an allosteric site on procaspase-6.
Chemmedchem, 9, 2014
7F6V
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BU of 7f6v by Molmil
Cryo-EM structure of the human TACAN channel in a closed state
分子名称: CHOLESTEROL, Ion channel TACAN
著者Chen, X.Z, Wang, Y.J, Li, Y, Yang, X, Shen, Y.Q.
登録日2021-06-25
公開日2022-02-16
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.66 Å)
主引用文献Cryo-EM structure of the human TACAN in a closed state.
Cell Rep, 38, 2022
6ML6
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BU of 6ml6 by Molmil
ZBTB24 Zinc Fingers 4-8 with 19+1mer DNA Oligonucleotide (Sequence 4 with a CpA 5mC Modification)
分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*AP*CP*GP*(5CM)P*AP*GP*GP*TP*CP*CP*TP*GP*GP*AP*CP*GP*AP*AP*TP*T)-3'), DNA (5'-D(*TP*AP*AP*TP*TP*CP*GP*TP*CP*CP*AP*GP*GP*AP*CP*CP*TP*GP*CP*G)-3'), ...
著者Horton, J.R, Cheng, X, Ren, R.
登録日2018-09-26
公開日2019-07-03
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Structural basis of specific DNA binding by the transcription factor ZBTB24.
Nucleic Acids Res., 47, 2019
5DEM
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BU of 5dem by Molmil
Structure of Pseudomonas aeruginosa LpxA
分子名称: Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, PHOSPHATE ION
著者Smith, E.W, Chen, Y.
登録日2015-08-25
公開日2015-09-16
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Structures of Pseudomonas aeruginosa LpxA Reveal the Basis for Its Substrate Selectivity.
Biochemistry, 54, 2015
4NBL
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BU of 4nbl by Molmil
Tailoring Small Molecules for an Allosteric Site on Procaspase-6
分子名称: 5-fluoro-2-({[3-(pyrimidin-2-yl)pyridin-2-yl]amino}methyl)phenol, Caspase-6, PHOSPHATE ION
著者Murray, J.M, Steffek, M.
登録日2013-10-23
公開日2014-01-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.756 Å)
主引用文献Tailoring small molecules for an allosteric site on procaspase-6.
Chemmedchem, 9, 2014
6VC8
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BU of 6vc8 by Molmil
Crystal structure of wild-type KRAS4b(1-169) in complex with GMPPNP and Mg ion
分子名称: GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER
著者Tran, T.H, Davies, D.R, Edwards, T.E, Simanshu, D.K.
登録日2019-12-20
公開日2021-02-10
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Machine learning-driven multiscale modeling reveals lipid-dependent dynamics of RAS signaling proteins.
Proc.Natl.Acad.Sci.USA, 119, 2022
4H1J
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BU of 4h1j by Molmil
Crystal structure of PYK2 with the pyrazole 13a
分子名称: 1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-[3-(4-methoxy-2-methylphenyl)-1H-pyrazol-5-yl]urea, Protein-tyrosine kinase 2-beta
著者Han, S.
登録日2012-09-10
公開日2012-11-28
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Identification of novel series of pyrazole and indole-urea based DFG-out PYK2 inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
8GI5
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BU of 8gi5 by Molmil
Cryo-EM of self-assembling pyrene peptide with Ca2+
分子名称: Pyrene peptide
著者Rich-New, S.T, Guo, J, Xu, B, Wang, F.
登録日2023-03-13
公開日2023-06-14
最終更新日2023-12-27
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Hierarchical Assembly of Intrinsically Disordered Short Peptides.
Chem, 9, 2023
7XB0
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BU of 7xb0 by Molmil
Crystal structure of Omicron BA.2 RBD complexed with hACE2
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, Angiotensin-converting enzyme 2, ...
著者Li, L, Liao, H, Meng, Y, Li, W.
登録日2022-03-19
公開日2022-07-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural basis of human ACE2 higher binding affinity to currently circulating Omicron SARS-CoV-2 sub-variants BA.2 and BA.1.1.
Cell, 185, 2022
7XAZ
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BU of 7xaz by Molmil
Crystal structure of Omicron BA.1.1 RBD complexed with hACE2
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, Angiotensin-converting enzyme 2, ...
著者Liao, H, Meng, Y, Li, W.
登録日2022-03-19
公開日2022-07-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural basis of human ACE2 higher binding affinity to currently circulating Omicron SARS-CoV-2 sub-variants BA.2 and BA.1.1.
Cell, 185, 2022
7XB1
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Crystal structure of Omicron BA.3 RBD complexed with hACE2
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, Angiotensin-converting enzyme 2, ...
著者Li, W, Meng, Y, Liao, H.
登録日2022-03-19
公開日2022-07-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural basis of human ACE2 higher binding affinity to currently circulating Omicron SARS-CoV-2 sub-variants BA.2 and BA.1.1.
Cell, 185, 2022

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