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8PUG
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BU of 8pug by Molmil
Structure of the immature HTLV-1 CA lattice from full-length Gag VLPs: CA-NTD refinement
分子名称: Gag polyprotein
著者Obr, M, Percipalle, M, Chernikova, D, Yang, H, Thader, A, Pinke, G, Porley, D, Mansky, L.M, Dick, R.A, Schur, F.K.M.
登録日2023-07-17
公開日2023-08-23
最終更新日2025-02-26
実験手法ELECTRON MICROSCOPY (5.9 Å)
主引用文献Distinct stabilization of the human T cell leukemia virus type 1 immature Gag lattice.
Nat.Struct.Mol.Biol., 32, 2025
7NQ9
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BU of 7nq9 by Molmil
C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 2-benzyl-N-cyclopropyl-6-(1-methyl-1H-1,2,3-triazol-4-yl)isonicotinamide
分子名称: 1,2-ETHANEDIOL, 6-benzyl-N4-((1r,3r)-3-hydroxycyclobutyl)-N2-methylpyridine-2,4-dicarboxamide, Bromodomain-containing protein 2
著者Chung, C.W.
登録日2021-03-01
公開日2021-03-24
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.602 Å)
主引用文献Template-Hopping Approach Leads to Potent, Selective, and Highly Soluble Bromo and Extraterminal Domain (BET) Second Bromodomain (BD2) Inhibitors.
J.Med.Chem., 64, 2021
6YWK
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BU of 6ywk by Molmil
Crystal structure of SARS-CoV-2 (Covid-19) NSP3 macrodomain in complex with HEPES
分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, MAGNESIUM ION, ...
著者Ni, X, Schroeder, M, Olieric, V, Sharpe, E.M, Wojdyla, J.A, Wang, M, Knapp, S, Chaikuad, A, Structural Genomics Consortium (SGC)
登録日2020-04-29
公開日2020-05-06
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural Insights into Plasticity and Discovery of Remdesivir Metabolite GS-441524 Binding in SARS-CoV-2 Macrodomain.
Acs Med.Chem.Lett., 12, 2021
4TKN
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BU of 4tkn by Molmil
Structure of the SNX17 FERM domain bound to the second NPxF motif of KRIT1
分子名称: Krev interaction trapped protein 1, Sorting nexin-17
著者Stiegler, A.L, Zhang, R, Liu, W, Boggon, T.J.
登録日2014-05-27
公開日2014-07-30
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural Determinants for Binding of Sorting Nexin 17 (SNX17) to the Cytoplasmic Adaptor Protein Krev Interaction Trapped 1 (KRIT1).
J.Biol.Chem., 289, 2014
8FXN
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BU of 8fxn by Molmil
Bromodomain of CBP liganded with iCBP7
分子名称: 1,2-ETHANEDIOL, CREB-binding protein, tert-butyl {(1R,4s)-4-[(5M)-2-[(2S)-1-(3-tert-butylphenyl)-6-oxopiperidin-2-yl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-1-yl]cyclohexyl}carbamate
著者Schonbrunn, E, Bikowitz, M.
登録日2023-01-25
公開日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Group 3 medulloblastoma transcriptional networks are sensitive to EP300/CBP bromodomain inhibition
To be published
1EGQ
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BU of 1egq by Molmil
ENHANCEMENT OF ENZYME ACTIVITY THROUGH THREE-PHASE PARTITIONING: CRYSTAL STRUCTURE OF A MODIFIED SERINE PROTEINASE AT 1.5 A RESOLUTION
分子名称: ACETIC ACID, CALCIUM ION, PROTEINASE K
著者Singh, R.K, Gourinath, S, Sharma, S, Ray, I, Gupta, M.N, Singh, T.P.
登録日2000-02-16
公開日2001-02-21
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Enhancement of enzyme activity through three-phase partitioning: crystal structure of a modified serine proteinase at 1.5 A resolution.
Protein Eng., 14, 2001
6Z54
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BU of 6z54 by Molmil
Crystal structure of CLK3 in complex with macrocycle ODS2003178
分子名称: 1,2-ETHANEDIOL, 11,15-Dimethyl-6-(oxan-4-yloxy)-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one, Dual specificity protein kinase CLK3, ...
著者Chaikuad, A, Benderitter, P, Hoflack, J, Denis, A, Knapp, S, Structural Genomics Consortium (SGC)
登録日2020-05-26
公開日2020-06-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Crystal structure of CLK3 in complex with macrocycle ODS2003178
To Be Published
5CZL
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BU of 5czl by Molmil
Crystal structure of a novel GH8 endo-beta-1,4-glucanase from an Achatina fulica gut metagenomic library
分子名称: Glucanase, PHOSPHATE ION
著者Scapin, S.M.N, Souza, F.H.M, Zanphorlin, L.M, Almeida, T.S, Sade, Y.B, Cardoso, A.M, Pinheiro, G.L, Murakami, M.T.
登録日2015-07-31
公開日2016-08-03
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.391 Å)
主引用文献Crystal structure of a novel GH8 endo-beta-1,4-glucanase from an Achatina fulica gut metagenomic library
To Be Published
8IYX
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BU of 8iyx by Molmil
Cryo-EM structure of the GPR34 receptor in complex with the antagonist YL-365
分子名称: 1-[4-(3-chlorophenyl)phenyl]carbonyl-4-[2-(4-phenylmethoxyphenyl)ethanoylamino]piperidine-4-carboxylic acid, Probable G-protein coupled receptor 34,Probable G-protein coupled receptor 34,YL-365
著者Jia, G.W, Wang, X, Zhang, C.B, Dong, H.H, Su, Z.M.
登録日2023-04-06
公開日2024-03-20
最終更新日2025-07-02
実験手法ELECTRON MICROSCOPY (3.34 Å)
主引用文献Cryo-EM structures of human GPR34 enable the identification of selective antagonists.
Proc.Natl.Acad.Sci.USA, 120, 2023
1EID
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BU of 1eid by Molmil
CRYSTAL STRUCTURE OF F120G MUTANT OF BOVINE PANCREATIC RIBONUCLEASE A
分子名称: RIBONUCLEASE A
著者Chatani, E, Hayashi, R, Moriyama, H, Ueki, T.
登録日2000-02-25
公開日2002-02-13
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Conformational strictness required for maximum activity and stability of bovine pancreatic ribonuclease A as revealed by crystallographic study of three Phe120 mutants at 1.4 A resolution.
Protein Sci., 11, 2002
6WO7
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BU of 6wo7 by Molmil
Diphosphoinositol polyphosphate phosphohydrolase 1 (DIPP1/NUDT3) in complex with 5-Diphosphoinositol pentakisphosphate (5-IP7), Mg, and Fluoride ion
分子名称: (1r,2R,3S,4s,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate, CHLORIDE ION, Diphosphoinositol polyphosphate phosphohydrolase 1, ...
著者Zong, G.N, Wang, H.C, Shears, S.B.
登録日2020-04-24
公開日2021-03-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献New structural insights reveal an expanded reaction cycle for inositol pyrophosphate hydrolysis by human DIPP1.
Faseb J., 35, 2021
8Q6F
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BU of 8q6f by Molmil
HUMAN PI4KIIIB IN COMPLEX WITH COVALENTLY BOUND INHIBITOR (COMPOUND 4)
分子名称: 1,2-ETHANEDIOL, 3-(3-fluorosulfonyloxy-4-methoxy-phenyl)-2,5-dimethyl-7-(pyridin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidine, GLYCEROL, ...
著者Somers, D.O.
登録日2023-08-11
公開日2023-12-13
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.506 Å)
主引用文献Covalent targeting of non-cysteine residues in PI4KIII beta.
Rsc Chem Biol, 4, 2023
6WX3
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BU of 6wx3 by Molmil
High resolution Tryptophan Synthase crystal structure from Salmonella typhimurium in complex with F9 inhibitor in the alpha-site, Cesium ion at the metal coordination site and internal aldimine form.
分子名称: 1,2-ETHANEDIOL, 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, BICINE, ...
著者Hilario, E, Dunn, M.F, Mueller, L.J, Fan, L.
登録日2020-05-09
公開日2021-03-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献High resolution Tryptophan Synthase crystal structure from Salmonella typhimurium in complex with F9 inhibitor in the alpha-site, Cesium ion at the metal coordination site and internal aldimine form.
To be Published
8RX6
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BU of 8rx6 by Molmil
Mycothione reductase from Mycobacterium tuberculosis in complex with Respiri-1093
分子名称: (3~{S})-4-[4-(1-benzothiophen-3-yl)-6,7,8,9-tetrahydro-5~{H}-pyrimido[4,5-d]azepin-2-yl]-3-methyl-morpholine, FLAVIN-ADENINE DINUCLEOTIDE, Mycothione reductase
著者Oorts, L, Osipov, E.M, Beelen, S, Strelkov, S.V.
登録日2024-02-06
公開日2025-08-20
実験手法X-RAY DIFFRACTION (3.42 Å)
主引用文献Structure of mycothione reductase
To Be Published
8XH8
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BU of 8xh8 by Molmil
Human Cx36/GJD2 (Ala14-deleted mutant) gap junction channel in porcine brain lipids
分子名称: 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, Gap junction delta-2 protein
著者Cho, H.J, Lee, H.H.
登録日2023-12-17
公開日2024-11-06
最終更新日2025-07-02
実験手法ELECTRON MICROSCOPY (2.72 Å)
主引用文献Mefloquine-induced conformational shift in Cx36 N-terminal helix leading to channel closure mediated by lipid bilayer.
Nat Commun, 15, 2024
9HR6
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BU of 9hr6 by Molmil
cryoEM structure of amyloid fibrils formed by human RIPK1
分子名称: Receptor-interacting serine/threonine-protein kinase 1
著者Lopez-Alonso, J.P, Ubarretxena-Belandia, I, Jiang, H.
登録日2024-12-17
公開日2025-09-17
実験手法ELECTRON MICROSCOPY (2.57 Å)
主引用文献Molecular Structure of Human Receptor Interacting Protein Kinase 1 (RIPK1) in its Fibrillar Conformation Elucidated by Solid-State NMR and Cryo-Electron Microscopy
To Be Published
6ZEJ
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BU of 6zej by Molmil
Structure of PP1-Phactr1 chimera [PP1(7-304) + linker (SGSGS) + Phactr1(526-580)]
分子名称: 1,2-ETHANEDIOL, GLYCEROL, MANGANESE (II) ION, ...
著者Mouilleron, S, Treisman, R, Fedoryshchak, R, Lee, R, Butler, A.M, Prechova, M.
登録日2020-06-16
公開日2020-09-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Molecular basis for substrate specificity of the Phactr1/PP1 phosphatase holoenzyme.
Elife, 9, 2020
8XGE
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BU of 8xge by Molmil
Human Cx36/GJD2 gap junction channel in porcine brain lipids.
分子名称: 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, Gap junction delta-2 protein
著者Cho, H.J, Lee, H.H.
登録日2023-12-15
公開日2024-11-06
最終更新日2025-06-25
実験手法ELECTRON MICROSCOPY (2.89 Å)
主引用文献Mefloquine-induced conformational shift in Cx36 N-terminal helix leading to channel closure mediated by lipid bilayer.
Nat Commun, 15, 2024
8XGF
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BU of 8xgf by Molmil
Human Cx36/GJD2 gap junction channel in complex with arachidonic acid.
分子名称: 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, ARACHIDONIC ACID, Gap junction delta-2 protein
著者Cho, H.J, Lee, H.H.
登録日2023-12-15
公開日2024-11-06
最終更新日2025-07-02
実験手法ELECTRON MICROSCOPY (2.95 Å)
主引用文献Mefloquine-induced conformational shift in Cx36 N-terminal helix leading to channel closure mediated by lipid bilayer.
Nat Commun, 15, 2024
8XH9
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BU of 8xh9 by Molmil
Human Cx36/GJD2 (Ala14 deletion mutant) gap junction channel prepared with mefloquine, showing no bound mefloquine
分子名称: 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, Gap junction delta-2 protein
著者Cho, H.J, Lee, H.H.
登録日2023-12-17
公開日2024-11-06
最終更新日2025-06-25
実験手法ELECTRON MICROSCOPY (2.58 Å)
主引用文献Mefloquine-induced conformational shift in Cx36 N-terminal helix leading to channel closure mediated by lipid bilayer.
Nat Commun, 15, 2024
8H13
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BU of 8h13 by Molmil
Structure of SARS-CoV-1 Spike Protein with Engineered x2 Disulfide (G400C and V969C), Closed Conformation
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
著者Zhang, X, Li, Z, Liu, Y, Wang, J, Fu, L, Wang, P, He, J, Xiong, X.
登録日2022-09-30
公開日2022-10-19
最終更新日2024-11-13
実験手法ELECTRON MICROSCOPY (4.05 Å)
主引用文献Disulfide stabilization reveals conserved dynamic features between SARS-CoV-1 and SARS-CoV-2 spikes.
Life Sci Alliance, 6, 2023
8J2W
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BU of 8j2w by Molmil
Saccharothrix syringae photocobilins protein, dark state
分子名称: 1,4-DIETHYLENE DIOXIDE, 5'-DEOXYADENOSINE, BILIVERDINE IX ALPHA, ...
著者Zhang, S, Poddar, H, Levy, W.C, Leys, D.
登録日2023-04-15
公開日2024-04-10
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Photocobilins integrate B12 and bilin photochemistry for enzyme control.
Nat Commun, 15, 2024
7S6S
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BU of 7s6s by Molmil
Complex structure of Methane monooxygenase hydroxylase and regulatory subunit DBL1
分子名称: 1,2-ETHANEDIOL, BENZOIC ACID, FE (III) ION, ...
著者Johns, J.C, Banerjee, R, Semonis, M.M, Shi, K, Aihara, H, Lipscomb, J.D.
登録日2021-09-14
公開日2021-12-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献X-ray Crystal Structures of Methane Monooxygenase Hydroxylase Complexes with Variants of Its Regulatory Component: Correlations with Altered Reaction Cycle Dynamics.
Biochemistry, 61, 2022
8V1O
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BU of 8v1o by Molmil
Crystal structure of IRAK4 kinase domain with compound 4
分子名称: CHLORIDE ION, GLYCEROL, Interleukin-1 receptor-associated kinase 4, ...
著者Weiss, M.M, Zheng, X, Browne, C.M, Campbell, V, Chen, D, Enerson, B, Fei, X, Huang, X, Klaus, C.R, Li, H, Mayo, M, McDonald, A.A, Paul, A, Sharma, K, Shi, Y, Slavin, A, Walter, D.M, Yuan, K, Zhang, Y, Zhu, X, Kelleher, J, Ji, N, Walker, D, Mainolfi, N.
登録日2023-11-21
公開日2024-07-03
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.92 Å)
主引用文献Discovery of KT-413, a Targeted Protein Degrader of IRAK4 and IMiD Substrates Targeting MYD88 Mutant Diffuse Large B-Cell Lymphoma.
J.Med.Chem., 67, 2024
7NT7
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BU of 7nt7 by Molmil
Solution structure of toll like receptor 1 (TLR1) TIR domain
分子名称: Toll-like receptor 1
著者Mineev, K.S, Lushpa, V.A, Goncharuk, M.V.
登録日2021-03-09
公開日2021-08-25
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献Modulation of Toll-like receptor 1 intracellular domain structure and activity by Zn 2+ ions.
Commun Biol, 4, 2021

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