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9B56
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Ubiquitin E2-Ub-E3 HECT tetrahedral transthiolation intermediate mimic - state 2
分子名称: 4-aminobutanenitrile, E3 ubiquitin-protein ligase pub2, Ubiquitin, ...
著者Kochanczyk, T, Lima, C.D.
登録日2024-03-22
公開日2024-06-05
最終更新日2024-09-18
実験手法ELECTRON MICROSCOPY (3.35 Å)
主引用文献Structural basis for transthiolation intermediates in the ubiquitin pathway.
Nature, 633, 2024
9BKL
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BU of 9bkl by Molmil
Cobalt substituted rubredoxin from Pyrococcus furiosus solved by Co/S-SAD
分子名称: COBALT (II) ION, Rubredoxin
著者Zhou, D, Chen, L, Rose, J.P, Wang, B.C.
登録日2024-04-29
公開日2024-06-05
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Cobalt substituted rubredoxin from Pyrococcus furiosus solved by Co/S-SAD
To Be Published
5KF7
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BU of 5kf7 by Molmil
Structure of proline utilization A from Sinorhizobium meliloti complexed with L-tetrahydrofuroic acid and NAD+ in space group P3121
分子名称: Bifunctional protein PutA, FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION, ...
著者Tanner, J.J.
登録日2016-06-12
公開日2016-10-05
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structures of Proline Utilization A (PutA) Reveal the Fold and Functions of the Aldehyde Dehydrogenase Superfamily Domain of Unknown Function.
J.Biol.Chem., 291, 2016
2IH3
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Ion selectivity in a semi-synthetic K+ channel locked in the conductive conformation
分子名称: (1S)-2-HYDROXY-1-[(NONANOYLOXY)METHYL]ETHYL MYRISTATE, FAB Heavy Chain, FAB Light Chain, ...
著者Valiyaveetil, F.I, Leonetti, M, Muir, T.W, MacKinnon, R.
登録日2006-09-25
公開日2006-11-21
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Ion Selectivity in a Semisynthetic K+ Channel Locked in the Conductive Conformation.
Science, 314, 2006
5KFY
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Human DNA polymerase eta-DNA ternary complex: reaction first with 1 mM Mn2+ for 1800s then with 5 mM Mn2+ for 60s at 4 degree
分子名称: 1,2-ETHANEDIOL, 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, DNA (5'-D(*AP*GP*CP*GP*TP*CP*AP*T)-3'), ...
著者Gao, Y, Yang, W.
登録日2016-06-12
公開日2016-06-22
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Capture of a third Mg2+ is essential for catalyzing DNA synthesis.
Science, 352, 2016
9B5X
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Ubiquitin E1-Ub-E2 tetrahedral transthiolation intermediate mimic (singly Ub-loaded) - Ub(T) class 10 map and model from cluster 5 (ATP/Mg)
分子名称: 4-aminobutanenitrile, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Kochanczyk, T, Lima, C.D.
登録日2024-03-22
公開日2024-06-05
最終更新日2024-09-25
実験手法ELECTRON MICROSCOPY (4.16 Å)
主引用文献Structural basis for transthiolation intermediates in the ubiquitin pathway.
Nature, 633, 2024
9B70
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BU of 9b70 by Molmil
Cryo-EM structure of MraY in complex with analogue 2
分子名称: (2~{S},3~{S})-3-[(2~{S},3~{R},4~{S},5~{R})-5-(aminomethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxy-2-[[3-[[[(2~{S})-6-azanyl-2-(hexadecanoylamino)hexanoyl]amino]methyl]phenyl]methylamino]-3-[(2~{S},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]propanoic acid, MraYAA nanobody, Phospho-N-acetylmuramoyl-pentapeptide-transferase
著者Hao, A, Lee, S.-Y.
登録日2024-03-26
公開日2024-06-26
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (2.88 Å)
主引用文献Development of a natural product optimization strategy for inhibitors against MraY, a promising antibacterial target.
Nat Commun, 15, 2024
6L0Q
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BU of 6l0q by Molmil
Crystal Structure of the O-Phosphoserine Sulfhydrylase from Aeropyrum pernix Complexed with O-Phosphoserine
分子名称: (2S)-2-[(E)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]-3-phosphonooxy-propanoic acid, (4S)-2-METHYL-2,4-PENTANEDIOL, Protein CysO
著者Nakabayashi, M, Takeda, E, Ishikawa, K, Nakamura, T.
登録日2019-09-26
公開日2020-09-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Identification of amino acid residues important for recognition of O-phospho-l-serine substrates by cysteine synthase.
J.Biosci.Bioeng., 131, 2021
2II4
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BU of 2ii4 by Molmil
Crystal structure of a cubic core of the dihydrolipoamide acyltransferase (E2b) component in the branched-chain alpha-ketoacid dehydrogenase complex (BCKDC), Coenzyme A-bound form
分子名称: CHLORIDE ION, COENZYME A, Lipoamide acyltransferase component of branched-chain alpha-keto acid dehydrogenase complex
著者Kato, M, Wynn, R.M, Chuang, J.L, Brautigam, C.A, Custorio, M, Chuang, D.T.
登録日2006-09-27
公開日2006-12-26
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献A synchronized substrate-gating mechanism revealed by cubic-core structure of the bovine branched-chain alpha-ketoacid dehydrogenase complex.
Embo J., 25, 2006
9B5B
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BU of 9b5b by Molmil
Ubiquitin E2-Ub-E3 HECT tetrahedral transthiolation intermediate mimic - state 7
分子名称: 4-aminobutanenitrile, E3 ubiquitin-protein ligase pub2, Ubiquitin, ...
著者Kochanczyk, T, Lima, C.D.
登録日2024-03-22
公開日2024-06-05
最終更新日2024-09-18
実験手法ELECTRON MICROSCOPY (3.31 Å)
主引用文献Structural basis for transthiolation intermediates in the ubiquitin pathway.
Nature, 633, 2024
8HXK
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BU of 8hxk by Molmil
BANAL-20-236 S1 in complex with R. Affinis ACE2
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, ...
著者Wang, X, Xu, G.
登録日2023-01-04
公開日2024-01-10
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献The selective effect of fecal-oral transmission on the S proteins of bat SARS-CoV-2 related coronaviruses in favor of stability over infectivity
To Be Published
5K7F
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BU of 5k7f by Molmil
Crystal structure of apo AibR
分子名称: ACETATE ION, Transcriptional regulator, TetR family
著者Bock, T, Volz, C, Mueller, R, Blankenfeldt, W.
登録日2016-05-26
公開日2016-12-21
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The AibR-isovaleryl coenzyme A regulator and its DNA binding site - a model for the regulation of alternative de novo isovaleryl coenzyme A biosynthesis in Myxococcus xanthus.
Nucleic Acids Res., 45, 2017
9B5M
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BU of 9b5m by Molmil
Ubiquitin E1-Ub-E2 tetrahedral transthiolation intermediate mimic (singly Ub-loaded) - consensus map and model
分子名称: 4-aminobutanenitrile, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Kochanczyk, T, Lima, C.D.
登録日2024-03-22
公開日2024-06-05
最終更新日2024-09-25
実験手法ELECTRON MICROSCOPY (2.79 Å)
主引用文献Structural basis for transthiolation intermediates in the ubiquitin pathway.
Nature, 633, 2024
5JP7
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BU of 5jp7 by Molmil
Ferrous Leu 16 Val mutant of cytochrome c prime from Alcaligenes xylosoxidans
分子名称: Cytochrome c', HEME C
著者Kekilli, D, Strange, R.W, Hough, M.A.
登録日2016-05-03
公開日2017-03-08
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.26 Å)
主引用文献Engineering proximal vs. distal heme-NO coordination via dinitrosyl dynamics: implications for NO sensor design.
Chem Sci, 8, 2017
9B5V
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BU of 9b5v by Molmil
Ubiquitin E1-Ub-E2 tetrahedral transthiolation intermediate mimic (singly Ub-loaded) - Ub(T) class 10 map and model from cluster 1 (ATP/Mg)
分子名称: 4-aminobutanenitrile, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Kochanczyk, T, Lima, C.D.
登録日2024-03-22
公開日2024-06-05
最終更新日2024-09-25
実験手法ELECTRON MICROSCOPY (3.94 Å)
主引用文献Structural basis for transthiolation intermediates in the ubiquitin pathway.
Nature, 633, 2024
9BQE
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BU of 9bqe by Molmil
Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with (6'-hydroxy-1'-(4-(2-(1-propylpyrrolidin-3-yl)ethoxy)phenyl)-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl)(phenyl)methanone
分子名称: Estrogen receptor, [(1'R)-6'-hydroxy-1'-(4-{[(3R)-1-propylpyrrolidin-3-yl]methoxy}phenyl)-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone
著者Young, K.Y, Fanning, S.W.
登録日2024-05-09
公開日2024-06-19
最終更新日2025-01-29
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Targeting unique ligand binding domain structural features downregulates DKK1 in Y537S ESR1 mutant breast cancer cells.
Breast Cancer Res, 27, 2025
5JPF
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BU of 5jpf by Molmil
Serine/Threonine phosphatase Z1 (Candida albicans) binds to inhibitor microcystin-LR
分子名称: MALONATE ION, MANGANESE (II) ION, Microcystin-LR, ...
著者Choy, M.S, Chen, E.H, Peti, W, Page, R.
登録日2016-05-03
公開日2016-08-31
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.39929724 Å)
主引用文献Molecular Insights into the Fungus-Specific Serine/Threonine Protein Phosphatase Z1 in Candida albicans.
Mbio, 7, 2016
9BU1
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BU of 9bu1 by Molmil
Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with (6'-hydroxy-1'-(4-((1-propylazetidin-3-yl)methoxy)phenyl)-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl)(phenyl)methanone
分子名称: Estrogen receptor, [(1'R)-6'-hydroxy-1'-{4-[(1-propylazetidin-3-yl)methoxy]phenyl}-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone
著者Young, K.S, Fanning, S.W.
登録日2024-05-16
公開日2024-06-19
最終更新日2025-01-29
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Targeting unique ligand binding domain structural features downregulates DKK1 in Y537S ESR1 mutant breast cancer cells.
Breast Cancer Res, 27, 2025
2IKO
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BU of 2iko by Molmil
Crystal Structure of Human Renin Complexed with Inhibitor
分子名称: 5-{4-[(3,5-DIFLUOROBENZYL)AMINO]PHENYL}-6-ETHYLPYRIMIDINE-2,4-DIAMINE, Renin
著者Mochalkin, I.
登録日2006-10-02
公開日2006-11-14
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Binding thermodynamics of substituted diaminopyrimidine renin inhibitors.
Anal.Biochem., 360, 2007
9BKP
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BU of 9bkp by Molmil
Crystal structure of rubredoxin from Pyrococcus furiosus reconstituted with FeCl3 solved by Fe/S-SAD
分子名称: FE (III) ION, Rubredoxin
著者Zhou, D, Chen, L, Rose, J.P, Wang, B.C.
登録日2024-04-29
公開日2024-06-05
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of rubredoxin from Pyrococcus furiosus reconstituted with FeCl3 solved by Fe/S-SAD
To Be Published
8HXJ
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BU of 8hxj by Molmil
BANAL-20-52 Spike trimer
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, Spike glycoprotein
著者Wang, X, Xu, G.
登録日2023-01-04
公開日2024-01-10
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献The selective effect of fecal-oral transmission on the S proteins of bat SARS-CoV-2 related coronaviruses in favor of stability over infectivity
To Be Published
2ILP
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BU of 2ilp by Molmil
Clostridium botulinum Serotype A Light Chain inhibited by 4-chlorocinnamic hydroxamate
分子名称: (2E)-3-(4-CHLOROPHENYL)-N-HYDROXYACRYLAMIDE, Botulinum neurotoxin A light-chain, PHOSPHATE ION, ...
著者Silvaggi, N.R, Allen, K.N.
登録日2006-10-03
公開日2007-06-05
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structures of Clostridium botulinum Neurotoxin Serotype A Light Chain Complexed with Small-Molecule Inhibitors Highlight Active-Site Flexibility.
Chem.Biol., 14, 2007
5JQ4
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BU of 5jq4 by Molmil
Structure of a GNAT acetyltransferase SACOL1063 from Staphylococcus aureus
分子名称: 1,2-ETHANEDIOL, Acetyltransferase SACOL1063, CHLORIDE ION, ...
著者Majorek, K.A, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2016-05-04
公開日2016-06-29
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Insight into the 3D structure and substrate specificity of previously uncharacterized GNAT superfamily acetyltransferases from pathogenic bacteria.
Biochim.Biophys.Acta, 1865, 2016
9BBH
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BU of 9bbh by Molmil
Co-crystal structure of human DDB1 bound to fragment UB028670
分子名称: 1,2-ETHANEDIOL, 4-methoxy-1H-indole, DNA damage-binding protein 1, ...
著者Zeng, H, Dong, A, Frommlet, A, Seitova, A, Loppnau, P, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
登録日2024-04-05
公開日2024-06-12
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Co-crystal structure of human DDB1 bound to fragment UB028670
To be published
9BG1
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Tri-complex of Compound-3, KRAS G12V, and CypA
分子名称: (2R)-N-[(1P,7S,9S,13R,20M)-21-ethyl-20-{2-[(1S)-1-methoxyethyl]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]-3-methyl-2-(N-methylacetamido)butanamide (non-preferred name), GTPase KRas, MAGNESIUM ION, ...
著者Tomlinson, A.C.A, Saldajeno-Concar, M, Knox, J.E, Yano, J.K.
登録日2024-04-18
公開日2024-06-12
最終更新日2025-04-09
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Discovery of Daraxonrasib (RMC-6236), a Potent and Orally Bioavailable RAS(ON) Multi-selective, Noncovalent Tri-complex Inhibitor for the Treatment of Patients with Multiple RAS-Addicted Cancers.
J.Med.Chem., 68, 2025

238582

件を2025-07-09に公開中

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