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8TPV
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Structure of human hypoxanthine guanine phosphoribzosyltransferase in complex with [2S,4R]-4-Guanin-9-yl-2-(2-phosphonoethoxymethyl)-1-N-(3-phosphonopropionyl)pyrrolidine
分子名称: (3-{(2S,4R)-4-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-[(2-phosphonoethoxy)methyl]pyrrolidin-1-yl}-3-oxopropyl)phosphonic acid, Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION
著者Guddat, L.W.
登録日2023-08-05
公開日2024-05-08
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Development of Prolinol Containing Inhibitors of Hypoxanthine-Guanine-Xanthine Phosphoribosyltransferase: Rational Structure-Based Drug Design.
J.Med.Chem., 67, 2024
8UMW
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Atomic model of the human CTF18-RFC-PCNA-DNA ternary complex in the five-subunit binding state (state 4)
分子名称: ADENOSINE-5'-DIPHOSPHATE, Chromosome transmission fidelity protein 18 homolog, DNA (20-MER), ...
著者Wang, F, He, Q, Li, H.
登録日2023-10-18
公開日2024-05-08
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (2.93 Å)
主引用文献Cryo-EM reveals a nearly complete PCNA loading process and unique features of the human alternative clamp loader CTF18-RFC.
Proc.Natl.Acad.Sci.USA, 121, 2024
8UMV
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Atomic model of the human CTF18-RFC-PCNA-DNA ternary complex with narrow PCNA opening state I (state 5)
分子名称: ADENOSINE-5'-DIPHOSPHATE, Chromosome transmission fidelity protein 18 homolog, DNA (20-MER), ...
著者Wang, F, He, Q, Li, H.
登録日2023-10-18
公開日2024-05-08
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (2.75 Å)
主引用文献Cryo-EM reveals a nearly complete PCNA loading process and unique features of the human alternative clamp loader CTF18-RFC.
Proc.Natl.Acad.Sci.USA, 121, 2024
8UI9
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Cryo-EM map of human clamp-clamp loader ATAD5-RFC-cracked PCNA complex in intermediate state 2
分子名称: ADENOSINE-5'-DIPHOSPHATE, ATPase family AAA domain-containing protein 5, MAGNESIUM ION, ...
著者Wang, F, He, Q, Li, H.
登録日2023-10-10
公開日2024-05-29
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献The human ATAD5 has evolved unique structural elements to function exclusively as a PCNA unloader.
Nat.Struct.Mol.Biol., 2024
8UI7
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Cryo-EM map of human clmap-clamp loader ATAD5-RFC-gapped PCNA complex in intermediate state 3
分子名称: ADENOSINE-5'-DIPHOSPHATE, ATPase family AAA domain-containing protein 5, MAGNESIUM ION, ...
著者Wang, F, He, Q, Li, H.
登録日2023-10-10
公開日2024-05-29
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献The human ATAD5 has evolved unique structural elements to function exclusively as a PCNA unloader.
Nat.Struct.Mol.Biol., 2024
8UII
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Cryo-EM map of human clamp-clamp loader ATAD5-RFC-closed PCNA complex in intermediate state 1
分子名称: ADENOSINE-5'-DIPHOSPHATE, ATPase family AAA domain-containing protein 5, MAGNESIUM ION, ...
著者Wang, F, He, Q, Li, H.
登録日2023-10-10
公開日2024-05-29
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (3.04 Å)
主引用文献The human ATAD5 has evolved unique structural elements to function exclusively as a PCNA unloader.
Nat.Struct.Mol.Biol., 2024
8XAM
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Co-crystal structure of compound 7 in complex with MAT2A
分子名称: 2-[3-[7-chloranyl-4-(dimethylamino)-2-oxidanylidene-quinazolin-1-yl]phenoxy]-~{N}-[3-[7-chloranyl-4-(dimethylamino)-2-oxidanylidene-quinazolin-1-yl]phenyl]ethanamide, S-ADENOSYLMETHIONINE, S-adenosylmethionine synthase isoform type-2
著者Gao, F, Ding, X.
登録日2023-12-04
公開日2024-02-28
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Discovery of novel MAT2A inhibitors by an allosteric site-compatible fragment growing approach.
Bioorg.Med.Chem., 100, 2024
9AX6
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Tricomplex of RMC-6236, KRAS G12D, and CypA
分子名称: (1R,2S)-N-[(1P,7S,9S,13R,20M)-21-ethyl-20-{2-[(1R)-1-methoxyethyl]-5-(4-methylpiperazin-1-yl)pyridin-3-yl}-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-2-methylcyclopropane-1-carboxamide, GTPase KRas, MAGNESIUM ION, ...
著者Tomlinson, A.C.A, Saldajeno-Concar, M, Knox, J.E, Yano, J.K.
登録日2024-03-05
公開日2024-04-17
最終更新日2024-06-12
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Translational and Therapeutic Evaluation of RAS-GTP Inhibition by RMC-6236 in RAS-Driven Cancers.
Cancer Discov, 14, 2024
8YM7
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Crystal structure of Lysine Specific Demethylase 1 (LSD1) with JH-45
分子名称: 4-[5-(4-azanylpiperidin-1-yl)-8-(4-methylphenyl)pyrido[3,4-b]pyrazin-7-yl]-2-fluoranyl-benzenecarbonitrile, FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1A, ...
著者Zhiyan, D, Danyan, C, Hong, J, Tongchao, L, Bing, X.
登録日2024-03-08
公開日2024-05-22
実験手法X-RAY DIFFRACTION (2.83 Å)
主引用文献Discovery of Novel LSD1 Inhibitors for the Treatment of Autosomal Dominant Polycystic Kidney Disease
To Be Published
6TPZ
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N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 5-(1-(1,3-dimethoxypropan-2-yl)-5-morpholino-1H-benzo[d]imidazol-2-yl)-1,3-dimethylpyridin-2(1H)-one
分子名称: 1,2-ETHANEDIOL, 5-[1-(1,3-dimethoxypropan-2-yl)-5-morpholin-4-yl-benzimidazol-2-yl]-1,3-dimethyl-pyridin-2-one, Bromodomain-containing protein 4
著者Chung, C.
登録日2019-12-15
公開日2020-01-15
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.299 Å)
主引用文献Discovery of a Bromodomain and Extraterminal Inhibitor with a Low Predicted Human Dose through Synergistic Use of Encoded Library Technology and Fragment Screening.
J.Med.Chem., 63, 2020
6U17
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Human thymine DNA glycosylase bound to DNA with 2'-F-5-carboxyl-dC substrate analog
分子名称: ACETATE ION, DNA (28-MER), DNA (30-MER), ...
著者Pidugu, L.S, Pozharski, E, Drohat, A.C.
登録日2019-08-15
公開日2019-11-20
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Excision of 5-Carboxylcytosine by Thymine DNA Glycosylase.
J.Am.Chem.Soc., 141, 2019
6TVO
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BU of 6tvo by Molmil
Human CRM1-RanGTP in complex with Leptomycin B
分子名称: Exportin-1, GTP-binding nuclear protein Ran, GUANOSINE-5'-TRIPHOSPHATE, ...
著者Shaikhqasem, A, Ficner, R.
登録日2020-01-10
公開日2020-07-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.201 Å)
主引用文献Characterization of Inhibition Reveals Distinctive Properties for Human andSaccharomyces cerevisiaeCRM1.
J.Med.Chem., 63, 2020
6U80
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Discovery and optimization of salicyclic acid-derived sulfonamide inhibitors of the WDR5:MYC protein-protein interaction
分子名称: 5-bromo-N-(4-hydroxy[1,1'-biphenyl]-3-yl)-2-methoxybenzene-1-sulfonamide, WD repeat-containing protein 5
著者Zhao, B, Wang, F.
登録日2019-09-04
公開日2019-12-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Discovery and Optimization of Salicylic Acid-Derived Sulfonamide Inhibitors of the WD Repeat-Containing Protein 5-MYC Protein-Protein Interaction.
J.Med.Chem., 62, 2019
6U5C
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BU of 6u5c by Molmil
RT XFEL structure of CypA solved using MESH injection system
分子名称: Peptidyl-prolyl cis-trans isomerase A
著者Wolff, A.M, Thompson, M.C.
登録日2019-08-27
公開日2020-01-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Comparing serial X-ray crystallography and microcrystal electron diffraction (MicroED) as methods for routine structure determination from small macromolecular crystals
Iucrj, 7, 2020
6U6K
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BRD4-BD1 in complex with the cyclic peptide 3.1_3
分子名称: Bromodomain-containing protein 4, cyclic peptide 3.1_3
著者Patel, K, Walshe, J.L, Walport, L.J, Mackay, J.P.
登録日2019-08-30
公開日2020-08-19
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Cyclic peptides can engage a single binding pocket through highly divergent modes.
Proc.Natl.Acad.Sci.USA, 117, 2020
6UC4
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Barbed end side of a cofilactin cluster
分子名称: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ...
著者Huehn, A.R, Bibeau, J.P, Schramm, A.C, Cao, W, De La Cruz, E.M, Sindelar, C.V.
登録日2019-09-13
公開日2020-01-01
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (9.2 Å)
主引用文献Structures of cofilin-induced structural changes reveal local and asymmetric perturbations of actin filaments.
Proc.Natl.Acad.Sci.USA, 117, 2020
6U8G
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BU of 6u8g by Molmil
BRD4-BD2 in complex with the cyclic peptide 3.1_2_AcK7toA
分子名称: Bromodomain-containing protein 4, cyclic peptide 3.1_2_AcK7toA
著者Patel, K, Walshe, J.L, Walport, L.J, Mackay, J.P, Mouradian, K.S.
登録日2019-09-05
公開日2020-08-19
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Cyclic peptides can engage a single binding pocket through highly divergent modes.
Proc.Natl.Acad.Sci.USA, 117, 2020
6U8N
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BU of 6u8n by Molmil
Human IMPDH2 treated with ATP, IMP, and NAD+. Fully extended filament segment reconstruction.
分子名称: ADENOSINE-5'-TRIPHOSPHATE, INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase 2, ...
著者Johnson, M.C, Kollman, J.M.
登録日2019-09-05
公開日2020-03-25
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.29 Å)
主引用文献Cryo-EM structures demonstrate human IMPDH2 filament assembly tunes allosteric regulation.
Elife, 9, 2020
6TWY
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BU of 6twy by Molmil
MAGI1_2 complexed with a phosphomimetic RSK1 peptide
分子名称: CALCIUM ION, CITRIC ACID, GLYCEROL, ...
著者Gogl, G, Cousido-Siah, A, Trave, G.
登録日2020-01-13
公開日2020-04-01
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Dual Specificity PDZ- and 14-3-3-Binding Motifs: A Structural and Interactomics Study.
Structure, 28, 2020
6U72
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BRD4-BD1 in complex with the cyclic peptide 3.1_2_AcK5toA
分子名称: 3.1_2_AcK5toA, AMINO GROUP, Bromodomain-containing protein 4
著者Patel, K, Walshe, J.L, Walport, L.J, Mackay, J.P, Mouradian, K.S.
登録日2019-08-31
公開日2020-08-19
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Cyclic peptides can engage a single binding pocket through highly divergent modes.
Proc.Natl.Acad.Sci.USA, 117, 2020
6U9Q
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BU of 6u9q by Molmil
Crystal Structure Analysis of DNA-BCL11A Znf domain complex
分子名称: B-cell lymphoma/leukemia 11A, DNA3, DNA5, ...
著者Seo, H.-S, Dhe-Paganon, S.
登録日2019-09-09
公開日2020-09-16
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Crystal Structure Analysis of TAF1 Bromodomain
To Be Published
6U15
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Human thymine DNA glycosylase N140A mutant bound to DNA with 2'-F-5-carboxyl-dC substrate analog
分子名称: DNA (28-MER), G/T mismatch-specific thymine DNA glycosylase
著者Pidugu, L.S, Pozharski, E, Drohat, A.C.
登録日2019-08-15
公開日2019-11-20
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Excision of 5-Carboxylcytosine by Thymine DNA Glycosylase.
J.Am.Chem.Soc., 141, 2019
6U6Z
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Human SAMHD1 bound to deoxyribo(TG*TTCA)-oligonucleotide
分子名称: DNA polymer TG(PST)TCA, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ZINC ION
著者Taylor, A.B, Yu, C.H, Ivanov, D.N.
登録日2019-08-30
公開日2020-09-02
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Nucleic acid binding by SAMHD1 contributes to the antiretroviral activity and is enhanced by the GpsN modification.
Nat Commun, 12, 2021
6U16
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Human thymine DNA glycosylase N140A mutant bound to DNA with 5-carboxyl-dC substrate
分子名称: 1,2-ETHANEDIOL, DNA (28-MER), G/T mismatch-specific thymine DNA glycosylase
著者Pidugu, L.S, Pozharski, E, Drohat, A.C.
登録日2019-08-15
公開日2019-11-20
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Excision of 5-Carboxylcytosine by Thymine DNA Glycosylase.
J.Am.Chem.Soc., 141, 2019
6U8X
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BU of 6u8x by Molmil
Crystal structure of DNMT3B-DNMT3L in complex with CpApG DNA
分子名称: CpApG DNA (25-MER), DNA (cytosine-5)-methyltransferase 3-like, DNA (cytosine-5)-methyltransferase 3B, ...
著者Gao, L, Song, J.
登録日2019-09-06
公開日2020-06-10
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.95063877 Å)
主引用文献Comprehensive structure-function characterization of DNMT3B and DNMT3A reveals distinctive de novo DNA methylation mechanisms.
Nat Commun, 11, 2020

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件を2024-07-10に公開中

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