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7D0R
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BU of 7d0r by Molmil
Crystal structure of human HBO1-BRPF2 in complex with crotonoyl-coenzyme A
分子名称: 1,2-ETHANEDIOL, BRD1 protein, CROTONYL COENZYME A, ...
著者Li, W, Ding, J.
登録日2020-09-11
公開日2021-07-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献HBO1 is a versatile histone acyltransferase critical for promoter histone acylations.
Nucleic Acids Res., 49, 2021
7D0S
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BU of 7d0s by Molmil
Crystal structure of human HBO1-BRPF2 in complex with succinyl-coenzyme A
分子名称: BRD1 protein, Histone acetyltransferase KAT7, SUCCINYL-COENZYME A, ...
著者Li, W, Ding, J.
登録日2020-09-11
公開日2021-07-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献HBO1 is a versatile histone acyltransferase critical for promoter histone acylations.
Nucleic Acids Res., 49, 2021
7EMN
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BU of 7emn by Molmil
The atomic structure of SHP2 E76A mutant
分子名称: Tyrosine-protein phosphatase non-receptor type 11
著者Luo, F, Xie, J.J, Zhu, J.D, Liu, C.
登録日2021-04-14
公開日2021-05-05
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献A novel partially open state of SHP2 points to a "multiple gear" regulation mechanism.
J.Biol.Chem., 296, 2021
6XP9
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BU of 6xp9 by Molmil
STRUCTURE OF HUMAN PREGNANE X RECEPTOR LIGAND BINDING DOMAIN BOUND TETHERED WITH SRC co-activator peptide IN COMPLEX WITH (S,S)-1
分子名称: (2S)-tert-butoxy[7-(8-fluoro-5-methyl-3,4-dihydro-2H-1-benzopyran-6-yl)-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]acetic acid, GLYCEROL, Nuclear receptor subfamily 1 group I member 2,Nuclear receptor coactivator 1 fusion
著者Khan, J.A.
登録日2020-07-08
公開日2020-09-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Structure-based amelioration of PXR transactivation in a novel series of macrocyclic allosteric inhibitors of HIV-1 integrase.
Bioorg.Med.Chem.Lett., 30, 2020
6KE4
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BU of 6ke4 by Molmil
ABloop reengineered Ferritin Nanocage
分子名称: CALCIUM ION, CHLORIDE ION, FE (III) ION, ...
著者Wang, W.M, Wang, H.F.
登録日2019-07-03
公開日2019-10-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献AB loop engineered ferritin nanocages for drug loading under benign experimental conditions.
Chem.Commun.(Camb.), 55, 2019
6KE2
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BU of 6ke2 by Molmil
ABloop reengineered Ferritin Nanocage
分子名称: CALCIUM ION, CHLORIDE ION, FE (III) ION, ...
著者Wang, W.M, Wang, H.F.
登録日2019-07-03
公開日2019-10-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.798 Å)
主引用文献AB loop engineered ferritin nanocages for drug loading under benign experimental conditions.
Chem.Commun.(Camb.), 55, 2019
7X08
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BU of 7x08 by Molmil
S protein of SARS-CoV-2 in complex with 2G1
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, LINOLEIC ACID, ...
著者Guo, Y.Y, Zhang, Y.Y, Zhou, Q.
登録日2022-02-21
公開日2022-03-09
最終更新日2023-11-15
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Broad ultra-potent neutralization of SARS-CoV-2 variants by monoclonal antibodies specific to the tip of RBD.
Cell Discov, 8, 2022
7CHV
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BU of 7chv by Molmil
Metallo-Beta-Lactamase VIM-2 in complex with 1-benzyl-1H-imidazole-2-carboxylic acid
分子名称: 1-(phenylmethyl)imidazole-2-carboxylic acid, Beta-lactamase class B VIM-2, FORMIC ACID, ...
著者Yan, Y.-H, Li, G.-B.
登録日2020-07-06
公開日2021-07-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.174 Å)
主引用文献AncPhore: A versatile tool for anchor pharmacophore steered drug discovery with applications in discovery of new inhibitors targeting metallo-beta-lactamases and indoleamine/tryptophan 2,3-dioxygenases.
Acta Pharm Sin B, 11, 2021
7DML
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BU of 7dml by Molmil
OXA-48 carbapenemase in complex with (R)-2-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-3-yl)acrylic acid
分子名称: 2-[(3R)-1-oxidanyl-3H-2,1-benzoxaborol-3-yl]prop-2-enoic acid, Beta-lactamase
著者Li, G.-B, Yan, Y.-H.
登録日2020-12-04
公開日2021-12-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.936 Å)
主引用文献Design and enantioselective synthesis of 3-(alpha-acrylic acid) benzoxaboroles to combat carbapenemase resistance
Chem.Commun.(Camb.), 57, 2021
7E9A
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BU of 7e9a by Molmil
Crystal structure of KPC-2 in complex with (S)-2-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-3-yl)acrylic acid (4a-(S))
分子名称: 2-[(3S)-1-oxidanyl-3H-2,1-benzoxaborol-3-yl]prop-2-enoic acid, ACETIC ACID, Beta-lactamase, ...
著者Li, G.-B, Yan, Y.-H.
登録日2021-03-03
公開日2021-08-04
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Design and enantioselective synthesis of 3-( alpha-acrylic acid) benzoxaboroles to combat carbapenemase resistance.
Chem.Commun.(Camb.), 57, 2021
6BOJ
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BU of 6boj by Molmil
Crystal Structure of the PDE4D Catalytic Domain and UCR2 Regulatory Helix with BPN5004
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(4-{[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]methyl}phenyl)acetamide, CHLORIDE ION, ...
著者Fox III, D, Fairman, J.W, Gurney, M.E.
登録日2017-11-20
公開日2018-08-22
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Memory enhancing effects of BPN14770, an allosteric inhibitor of phosphodiesterase-4D, in wild-type and humanized mice.
Neuropsychopharmacology, 43, 2018
8FYA
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BU of 8fya by Molmil
Cryo-EM structure of Cas1:Cas2-DEDDh:PAM-containing prespacer complex
分子名称: Cas1, Cas2-DEDDh, DNA (28-MER), ...
著者Skopintsev, P, Tuck, O.T, Soczek, K.M, Doudna, J.
登録日2023-01-25
公開日2023-05-03
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (2.91 Å)
主引用文献Genome expansion by a CRISPR trimmer-integrase.
Nature, 618, 2023
8FYB
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BU of 8fyb by Molmil
Cryo-EM structure of Cas1:Cas2-DEDDh:half-site integration complex
分子名称: Cas1, Cas2-DEDDh, DNA (17-MER), ...
著者Skopintsev, P, Tuck, O.T, Soczek, K.M, Doudna, J.
登録日2023-01-25
公開日2023-05-03
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Genome expansion by a CRISPR trimmer-integrase.
Nature, 618, 2023
8FY9
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BU of 8fy9 by Molmil
Cryo-EM structure of Cas1:Cas2-DEDDh:PAM-deficient prespacer complex
分子名称: Cas1, Cas2-DEDDh, DNA (28-MER)
著者Skopintsev, P, Tuck, O.T, Soczek, K.M, Doudna, J.
登録日2023-01-25
公開日2023-05-03
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Genome expansion by a CRISPR trimmer-integrase.
Nature, 618, 2023
8FYD
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BU of 8fyd by Molmil
Cryo-EM structure of Cas1:Cas2-DEDDh:half-site integration complex bent CRISPR repeat conformation
分子名称: Cas1, Cas2-DEDDh, DNA (13-MER), ...
著者Skopintsev, P, Tuck, O.T, Soczek, K.M, Doudna, J.
登録日2023-01-25
公開日2023-05-03
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Genome expansion by a CRISPR trimmer-integrase.
Nature, 618, 2023
8FYC
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BU of 8fyc by Molmil
Cryo-EM structure of Cas1:Cas2-DEDDh:half-site integration complex linear CRISPR repeat conformation
分子名称: Cas1, Cas2-DEDDh, DEDDh, ...
著者Skopintsev, P, Tuck, O.T, Soczek, K.M, Doudna, J.
登録日2023-01-25
公開日2023-05-03
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Genome expansion by a CRISPR trimmer-integrase.
Nature, 618, 2023
1D2R
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BU of 1d2r by Molmil
2.9 A CRYSTAL STRUCTURE OF LIGAND-FREE TRYPTOPHANYL-TRNA SYNTHETASE: DOMAIN MOVEMENTS FRAGMENT THE ADENINE NUCLEOTIDE BINDING SITE.
分子名称: PROTEIN (TRYPTOPHANYL TRNA SYNTHETASE)
著者Ilyin, V.A, Carter Jr, C.W.
登録日1999-09-27
公開日2000-04-05
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献2.9 A crystal structure of ligand-free tryptophanyl-tRNA synthetase: domain movements fragment the adenine nucleotide binding site.
Protein Sci., 9, 2000
3HC4
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BU of 3hc4 by Molmil
BHA10 IgG1 Fab quadruple mutant variant - antibody directed at human LTBR
分子名称: ACETATE ION, IMMUNOGLOBULIN IGG1 FAB, HEAVY CHAIN, ...
著者Arndt, J.W, Jordan, J.L, Lugovskoy, A, Wang, D.
登録日2009-05-05
公開日2009-08-04
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Structural understanding of stabilization patterns in engineered bispecific Ig-like antibody molecules
Proteins, 77, 2009
3GBF
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BU of 3gbf by Molmil
Phpd with cadmium complexed with hydroethylphosphonate (HEP)
分子名称: (2-hydroxyethyl)phosphonic acid, CADMIUM ION, PhpD
著者Zhang, H, Nair, S.K.
登録日2009-02-19
公開日2009-06-09
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献An Unusual Carbon-Carbon Bond Cleavage Reaction in the Biosynthesis of the Herbicide Phosphinothricin
To be Published
3CIC
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BU of 3cic by Molmil
Structure of BACE Bound to SCH709583
分子名称: Beta-secretase 1, D(-)-TARTARIC ACID, N'-[(1S,2S)-2-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide
著者Strickland, C, Cumming, J.
登録日2008-03-11
公開日2008-06-10
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Rational design of novel, potent piperazinone and imidazolidinone BACE1 inhibitors
Bioorg.Med.Chem.Lett., 18, 2008
3CIB
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BU of 3cib by Molmil
Structure of BACE Bound to SCH727596
分子名称: Beta-secretase 1, D(-)-TARTARIC ACID, N'-[(1S,2R)-2-[(2R,4S)-4-benzylpiperidin-2-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide
著者Strickland, C, Cumming, J.
登録日2008-03-11
公開日2008-06-10
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Rational design of novel, potent piperazinone and imidazolidinone BACE1 inhibitors
Bioorg.Med.Chem.Lett., 18, 2008
3CID
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BU of 3cid by Molmil
Structure of BACE Bound to SCH726222
分子名称: Beta-secretase 1, D(-)-TARTARIC ACID, N'-[(1S,2S)-2-[(4S)-1-benzyl-5-oxoimidazolidin-4-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide
著者Strickland, C, Cumming, J.
登録日2008-03-11
公開日2008-06-10
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Rational design of novel, potent piperazinone and imidazolidinone BACE1 inhibitors
Bioorg.Med.Chem.Lett., 18, 2008
3HC0
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BU of 3hc0 by Molmil
BHA10 IgG1 wild-type Fab - antibody directed at human LTBR
分子名称: ACETATE ION, IMMUNOGLOBULIN IGG1 FAB, HEAVY CHAIN, ...
著者Arndt, J.W, Jordan, J.L, Lugovskoy, A, Wang, D.
登録日2009-05-05
公開日2009-08-04
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural understanding of stabilization patterns in engineered bispecific Ig-like antibody molecules
Proteins, 77, 2009
3HC3
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BU of 3hc3 by Molmil
BHA10 IgG1 Fab double mutant variant - antibody directed at human LTBR
分子名称: ACETATE ION, IMMUNOGLOBULIN IGG1 FAB, HEAVY CHAIN, ...
著者Arndt, J.W, Jordan, J.L, Lugovskoy, A, Wang, D.
登録日2009-05-05
公開日2009-08-04
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Structural understanding of stabilization patterns in engineered bispecific Ig-like antibody molecules
Proteins, 77, 2009
1GH2
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BU of 1gh2 by Molmil
Crystal structure of the catalytic domain of a new human thioredoxin-like protein
分子名称: THIOREDOXIN-LIKE PROTEIN
著者Jin, J, Chen, X, Guo, Q, Yuan, J, Qiang, B, Rao, Z.
登録日2000-11-01
公開日2001-05-01
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Crystal structure of the catalytic domain of a human thioredoxin-like protein.
Eur.J.Biochem., 269, 2002

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