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7BVF
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BU of 7bvf by Molmil
Cryo-EM structure of Mycobacterium tuberculosis arabinosyltransferase EmbA-EmbB-AcpM2 in complex with ethambutol
分子名称: CALCIUM ION, CARDIOLIPIN, Ethambutol, ...
著者Zhang, L, Zhao, Y, Gao, Y, Wang, Q, Li, J, Besra, G.S, Rao, Z.
登録日2020-04-10
公開日2020-04-29
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (2.97 Å)
主引用文献Structures of cell wall arabinosyltransferases with the anti-tuberculosis drug ethambutol.
Science, 368, 2020
7BVE
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BU of 7bve by Molmil
Cryo-EM structure of Mycobacterium smegmatis arabinosyltransferase EmbC2-AcpM2 in complex with ethambutol
分子名称: CALCIUM ION, Ethambutol, Integral membrane indolylacetylinositol arabinosyltransferase EmbC, ...
著者Zhang, L, Zhao, Y, Gao, Y, Wang, Q, Li, J, Besra, G.S, Rao, Z.
登録日2020-04-10
公開日2020-04-29
最終更新日2020-07-01
実験手法ELECTRON MICROSCOPY (2.81 Å)
主引用文献Structures of cell wall arabinosyltransferases with the anti-tuberculosis drug ethambutol.
Science, 368, 2020
7BVG
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BU of 7bvg by Molmil
Cryo-EM structure of Mycobacterium smegmatis arabinosyltransferase EmbA-EmbB-AcpM2 in complex with di-arabinose.
分子名称: 4'-PHOSPHOPANTETHEINE, CALCIUM ION, CARDIOLIPIN, ...
著者Zhang, L, Zhao, Y, Gao, Y, Wang, Q, Li, J, Besra, G.S, Rao, Z.
登録日2020-04-10
公開日2020-04-29
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structures of cell wall arabinosyltransferases with the anti-tuberculosis drug ethambutol.
Science, 368, 2020
1M9Q
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BU of 1m9q by Molmil
human endothelial nitric oxide synthase with 5-nitroindazole bound
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 5-NITROINDAZOLE, ISOPROPYL ALCOHOL, ...
著者Rosenfeld, R.J, Garcin, E.D, Panda, K, Andersson, G, Aberg, A, Wallace, A.V, Stuehr, D.J, Tainer, J.A, Getzoff, E.D.
登録日2002-07-29
公開日2002-08-07
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Conformational Changes in Nitric Oxide Synthases Induced by Chlorzoxazone and Nitroindazoles: Crystallographic and Computational Analyses of Inhibitor Potency
Biochemistry, 41, 2002
6LN1
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BU of 6ln1 by Molmil
A natural inhibitor of DYRK1A for treatment of diabetes mellitus
分子名称: 1,3,5,8-tetrakis(oxidanyl)xanthen-9-one, Dual specificity tyrosine-phosphorylation-regulated kinase 1A
著者Li, H, Chen, L.X, Zheng, M.Z, Zhang, Q.Z, Zhang, C.L, Wu, C.R, Yang, K.Y, Song, Z.R, Wang, Q.Q, Li, C, Zhou, Y.R, Chen, J.C.
登録日2019-12-28
公開日2021-10-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.699 Å)
主引用文献A natural DYRK1A inhibitor as a potential stimulator for beta-cell proliferation in diabetes.
Clin Transl Med, 11, 2021
7YW5
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BU of 7yw5 by Molmil
Crystal Structure of the ITS1 processing by human ribonuclease ISG20L2 with mutation D327A
分子名称: Interferon-stimulated 20 kDa exonuclease-like 2
著者Yang, X.Y, Liu, X.H.
登録日2022-08-21
公開日2024-01-17
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.77 Å)
主引用文献Molecular mechanism of human ISG20L2 for the ITS1 cleavage in the processing of 18S precursor ribosomal RNA.
Nucleic Acids Res., 52, 2024
6XIC
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BU of 6xic by Molmil
PCSK9(deltaCRD) in complex with cyclic peptide 40
分子名称: GLYCEROL, Peptide 40, Proprotein convertase subtilisin/kexin type 9
著者Orth, P.
登録日2020-06-19
公開日2020-11-18
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (1.377 Å)
主引用文献Series of Novel and Highly Potent Cyclic Peptide PCSK9 Inhibitors Derived from an mRNA Display Screen and Optimized via Structure-Based Design.
J.Med.Chem., 63, 2020
6XID
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BU of 6xid by Molmil
PCSK9(deltaCRD) in complex with cyclic peptide 51
分子名称: GLYCEROL, Peptide 51, Proprotein convertase subtilisin/kexin type 9
著者Orth, P.
登録日2020-06-19
公開日2020-11-18
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (1.482 Å)
主引用文献Series of Novel and Highly Potent Cyclic Peptide PCSK9 Inhibitors Derived from an mRNA Display Screen and Optimized via Structure-Based Design.
J.Med.Chem., 63, 2020
5XXH
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BU of 5xxh by Molmil
Crystal Structure Analysis of the CBP
分子名称: (3S)-1-[2-(3-ethanoylindol-1-yl)ethanoyl]piperidine-3-carboxylic acid, 1,2-ETHANEDIOL, CREB-binding protein, ...
著者Xiang, Q, Zhang, Y, Wang, C, Song, M.
登録日2017-07-04
公開日2018-06-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Discovery and optimization of 1-(1H-indol-1-yl)ethanone derivatives as CBP/EP300 bromodomain inhibitors for the treatment of castration-resistant prostate cancer.
Eur J Med Chem, 147, 2018
8GK7
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BU of 8gk7 by Molmil
MsbA bound to cerastecin C
分子名称: 2-[(4-butylbenzene-1-sulfonyl)amino]-5-[(3-{4-[(4-butylbenzene-1-sulfonyl)amino]-3-carboxyanilino}-3-oxopropyl)carbamoyl]benzoic acid, Lipid A export ATP-binding/permease protein MsbA, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Chen, Y, Klein, D.
登録日2023-03-17
公開日2024-04-24
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.32 Å)
主引用文献Cerastecins inhibit membrane lipooligosaccharide transport in drug-resistant Acinetobacter baumannii.
Nat Microbiol, 9, 2024
7TZH
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BU of 7tzh by Molmil
Structure of human LAG3 domains 3-4 in complex with antibody single chain-variable fragment
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Lymphocyte activation gene 3 protein, scFvF7
著者Ming, Q, Tran, T.H, Luca, V.C.
登録日2022-02-15
公開日2022-05-11
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献LAG3 ectodomain structure reveals functional interfaces for ligand and antibody recognition.
Nat.Immunol., 23, 2022
7TZE
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BU of 7tze by Molmil
Structure of murine LAG3 domains 1-2
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Lymphocyte activation gene 3 protein
著者Ming, Q, Tran, T.H, Luca, V.C.
登録日2022-02-15
公開日2022-05-11
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献LAG3 ectodomain structure reveals functional interfaces for ligand and antibody recognition.
Nat.Immunol., 23, 2022
7TZG
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BU of 7tzg by Molmil
Structure of human LAG3 in complex with antibody single-chain variable fragment
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Lymphocyte activation gene 3 protein, scFvF7
著者Ming, Q, Tran, T.H, Luca, V.C.
登録日2022-02-15
公開日2022-05-11
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.71 Å)
主引用文献LAG3 ectodomain structure reveals functional interfaces for ligand and antibody recognition.
Nat.Immunol., 23, 2022
5KU9
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BU of 5ku9 by Molmil
Crystal structure of MCL1 with compound 1
分子名称: (3~{S})-3-azanyl-4-(4-bromophenyl)-~{N}-[(3~{S})-1-[2-[[(2~{R})-1-(3,4-dichlorophenyl)-4-(methylamino)-4-oxidanylidene-butan-2-yl]amino]-2-oxidanylidene-ethyl]-2-oxidanylidene-4,5-dihydro-3~{H}-1-benzazepin-3-yl]butanamide, Induced myeloid leukemia cell differentiation protein Mcl-1, SODIUM ION
著者Ferguson, A.D.
登録日2016-07-13
公開日2017-01-11
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure Based Design of Non-Natural Peptidic Macrocyclic Mcl-1 Inhibitors.
ACS Med Chem Lett, 8, 2017
9NSE
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BU of 9nse by Molmil
BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE, ETHYL-ISOSELENOUREA COMPLEX
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, CACODYLIC ACID, ...
著者Li, H, Raman, C.S, Martasek, P, Kral, V, Masters, B.S.S, Poulos, T.L.
登録日1999-01-13
公開日2000-10-25
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Mapping the active site polarity in structures of endothelial nitric oxide synthase heme domain complexed with isothioureas.
J.Inorg.Biochem., 81, 2000
5MES
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BU of 5mes by Molmil
MCL1 FAB COMPLEX IN COMPLEX WITH COMPOUND 29
分子名称: (5~{R},13~{S},17~{S})-5-[[4-chloranyl-3-(2-phenylethyl)phenyl]methyl]-13-[(4-chlorophenyl)methyl]-8-methyl-1,4,8,12,16-pentazatricyclo[15.8.1.0^{20,25}]hexacosa-20(25),21,23-triene-3,7,15,26-tetrone, Heavy Chain, Induced myeloid leukemia cell differentiation protein Mcl-1 homolog,Induced myeloid leukemia cell differentiation protein Mcl-1, ...
著者Hargreaves, D.
登録日2016-11-16
公開日2017-01-18
最終更新日2017-03-08
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Structure Based Design of Non-Natural Peptidic Macrocyclic Mcl-1 Inhibitors.
ACS Med Chem Lett, 8, 2017
7TZ2
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BU of 7tz2 by Molmil
Structure of human Fibrinogen-like protein 1
分子名称: CALCIUM ION, Fibrinogen-like protein 1
著者Ming, Q, Tran, T.H, Luca, V.C.
登録日2022-02-15
公開日2022-05-11
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献LAG3 ectodomain structure reveals functional interfaces for ligand and antibody recognition.
Nat.Immunol., 23, 2022
5MEV
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BU of 5mev by Molmil
MCL1 FAB COMPLEX IN COMPLEX WITH COMPOUND 21
分子名称: (5~{R},13~{S},17~{S})-5-[(3,4-dichlorophenyl)methyl]-8-methyl-13-[(4-methylsulfonylphenyl)methyl]-1,4,8,12,16-pentazatricyclo[15.8.1.0^{20,25}]hexacosa-20,22,24-triene-3,7,15,26-tetrone, Fab Heavy Chain, Fab Light Chain, ...
著者Hargreaves, D.
登録日2016-11-16
公開日2017-01-18
最終更新日2017-03-08
実験手法X-RAY DIFFRACTION (2.94 Å)
主引用文献Structure Based Design of Non-Natural Peptidic Macrocyclic Mcl-1 Inhibitors
Acs Med.Chem.Lett., 8, 2017
1NOD
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BU of 1nod by Molmil
MURINE INDUCIBLE NITRIC OXIDE SYNTHASE OXYGENASE DIMER (DELTA 65) WITH TETRAHYDROBIOPTERIN AND SUBSTRATE L-ARGININE
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ARGININE, NITRIC OXIDE SYNTHASE, ...
著者Crane, B.R, Arvai, A.S, Getzoff, E.D, Stuehr, D.J, Tainer, J.A.
登録日1998-03-05
公開日1999-03-23
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure of nitric oxide synthase oxygenase dimer with pterin and substrate.
Science, 279, 1998
8SAI
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BU of 8sai by Molmil
Cryo-EM structure of GPR34-Gi complex
分子名称: 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, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
著者Yong, X.H, Zhao, C, Yan, W, Shao, Z.H.
登録日2023-04-01
公開日2023-10-04
実験手法ELECTRON MICROSCOPY (3.27 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
7PZY
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BU of 7pzy by Molmil
Structure of the vacant Candida albicans 80S ribosome
分子名称: 1,4-DIAMINOBUTANE, 18S ribosomal RNA, 25S ribosomal RNA, ...
著者Zgadzay, Y, Kolosova, O, Stetsenko, A, Jenner, L, Guskov, A, Yusupova, G, Yusupov, M.
登録日2021-10-13
公開日2022-05-18
最終更新日2022-06-08
実験手法ELECTRON MICROSCOPY (2.32 Å)
主引用文献E-site drug specificity of the human pathogen Candida albicans ribosome.
Sci Adv, 8, 2022
7S5G
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BU of 7s5g by Molmil
PCSK9 in complex with compound 19
分子名称: (2E)-but-2-ene-1,4-diol, GLYCEROL, Propeptide of Proprotein convertase subtilisin/kexin type 9, ...
著者Orth, P.
登録日2021-09-10
公開日2021-11-03
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (2.041 Å)
主引用文献A Series of Novel, Highly Potent, and Orally Bioavailable Next-Generation Tricyclic Peptide PCSK9 Inhibitors.
J.Med.Chem., 64, 2021
7S5H
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BU of 7s5h by Molmil
PCSK9(deltaCRD) in complex with cyclic peptide 35
分子名称: (2E)-but-2-ene-1,4-diol, Pro-peptide from Proprotein convertase subtilisin/kexin type 9, Proprotein convertase subtilisin/kexin type 9, ...
著者Orth, P.
登録日2021-09-10
公開日2021-11-03
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (1.272 Å)
主引用文献A Series of Novel, Highly Potent, and Orally Bioavailable Next-Generation Tricyclic Peptide PCSK9 Inhibitors.
J.Med.Chem., 64, 2021
6L30
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BU of 6l30 by Molmil
Crystal structure of the epithelial cell transforming 2 (ECT2)
分子名称: Protein ECT2
著者Chen, Z.C, Chen, M.R, Pan, H, Sun, L.F, Shi, P.
登録日2019-10-07
公開日2020-01-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure and regulation of human epithelial cell transforming 2 protein.
Proc.Natl.Acad.Sci.USA, 117, 2020
6KYQ
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BU of 6kyq by Molmil
Crystal structure of DCLK1 Autoinhibited Kinase Domain
分子名称: BETA-MERCAPTOETHANOL, Serine/threonine-protein kinase DCLK1
著者Yu, Y, Chen, Q.
登録日2019-09-20
公開日2020-09-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.141 Å)
主引用文献DCLK1 Autoinhibition and Activation in Tumorigenesis
Innovation (N Y), 2021

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