7BVF
 
 | | Cryo-EM structure of Mycobacterium tuberculosis arabinosyltransferase EmbA-EmbB-AcpM2 in complex with ethambutol | | Descriptor: | CALCIUM ION, CARDIOLIPIN, Ethambutol, ... | | Authors: | Zhang, L, Zhao, Y, Gao, Y, Wang, Q, Li, J, Besra, G.S, Rao, Z. | | Deposit date: | 2020-04-10 | | Release date: | 2020-04-29 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (2.97 Å) | | Cite: | Structures of cell wall arabinosyltransferases with the anti-tuberculosis drug ethambutol.
Science, 368, 2020
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7BVE
 | | Cryo-EM structure of Mycobacterium smegmatis arabinosyltransferase EmbC2-AcpM2 in complex with ethambutol | | Descriptor: | CALCIUM ION, Ethambutol, Integral membrane indolylacetylinositol arabinosyltransferase EmbC, ... | | Authors: | Zhang, L, Zhao, Y, Gao, Y, Wang, Q, Li, J, Besra, G.S, Rao, Z. | | Deposit date: | 2020-04-10 | | Release date: | 2020-04-29 | | Last modified: | 2020-07-01 | | Method: | ELECTRON MICROSCOPY (2.81 Å) | | Cite: | Structures of cell wall arabinosyltransferases with the anti-tuberculosis drug ethambutol.
Science, 368, 2020
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7BVG
 | | Cryo-EM structure of Mycobacterium smegmatis arabinosyltransferase EmbA-EmbB-AcpM2 in complex with di-arabinose. | | Descriptor: | 4'-PHOSPHOPANTETHEINE, CALCIUM ION, CARDIOLIPIN, ... | | Authors: | Zhang, L, Zhao, Y, Gao, Y, Wang, Q, Li, J, Besra, G.S, Rao, Z. | | Deposit date: | 2020-04-10 | | Release date: | 2020-04-29 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structures of cell wall arabinosyltransferases with the anti-tuberculosis drug ethambutol.
Science, 368, 2020
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1M9Q
 | | human endothelial nitric oxide synthase with 5-nitroindazole bound | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 5-NITROINDAZOLE, ISOPROPYL ALCOHOL, ... | | Authors: | Rosenfeld, R.J, Garcin, E.D, Panda, K, Andersson, G, Aberg, A, Wallace, A.V, Stuehr, D.J, Tainer, J.A, Getzoff, E.D. | | Deposit date: | 2002-07-29 | | Release date: | 2002-08-07 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Conformational Changes in Nitric Oxide Synthases Induced by Chlorzoxazone and Nitroindazoles: Crystallographic and Computational Analyses of Inhibitor Potency
Biochemistry, 41, 2002
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6LN1
 | | A natural inhibitor of DYRK1A for treatment of diabetes mellitus | | Descriptor: | 1,3,5,8-tetrakis(oxidanyl)xanthen-9-one, Dual specificity tyrosine-phosphorylation-regulated kinase 1A | | Authors: | 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. | | Deposit date: | 2019-12-28 | | Release date: | 2021-10-06 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.699 Å) | | Cite: | A natural DYRK1A inhibitor as a potential stimulator for beta-cell proliferation in diabetes.
Clin Transl Med, 11, 2021
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7YW5
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6XIC
 | | PCSK9(deltaCRD) in complex with cyclic peptide 40 | | Descriptor: | GLYCEROL, Peptide 40, Proprotein convertase subtilisin/kexin type 9 | | Authors: | Orth, P. | | Deposit date: | 2020-06-19 | | Release date: | 2020-11-18 | | Last modified: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (1.377 Å) | | Cite: | 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
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6XID
 | | PCSK9(deltaCRD) in complex with cyclic peptide 51 | | Descriptor: | GLYCEROL, Peptide 51, Proprotein convertase subtilisin/kexin type 9 | | Authors: | Orth, P. | | Deposit date: | 2020-06-19 | | Release date: | 2020-11-18 | | Last modified: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (1.482 Å) | | Cite: | 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
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5XXH
 | | Crystal Structure Analysis of the CBP | | Descriptor: | (3S)-1-[2-(3-ethanoylindol-1-yl)ethanoyl]piperidine-3-carboxylic acid, 1,2-ETHANEDIOL, CREB-binding protein, ... | | Authors: | Xiang, Q, Zhang, Y, Wang, C, Song, M. | | Deposit date: | 2017-07-04 | | Release date: | 2018-06-13 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | 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
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8GK7
 | | MsbA bound to cerastecin C | | Descriptor: | 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 | | Authors: | Chen, Y, Klein, D. | | Deposit date: | 2023-03-17 | | Release date: | 2024-04-24 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (3.32 Å) | | Cite: | Cerastecins inhibit membrane lipooligosaccharide transport in drug-resistant Acinetobacter baumannii.
Nat Microbiol, 9, 2024
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7TZH
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7TZE
 | | Structure of murine LAG3 domains 1-2 | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Lymphocyte activation gene 3 protein | | Authors: | Ming, Q, Tran, T.H, Luca, V.C. | | Deposit date: | 2022-02-15 | | Release date: | 2022-05-11 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | LAG3 ectodomain structure reveals functional interfaces for ligand and antibody recognition.
Nat.Immunol., 23, 2022
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7TZG
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5KU9
 | | Crystal structure of MCL1 with compound 1 | | Descriptor: | (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 | | Authors: | Ferguson, A.D. | | Deposit date: | 2016-07-13 | | Release date: | 2017-01-11 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure Based Design of Non-Natural Peptidic Macrocyclic Mcl-1 Inhibitors.
ACS Med Chem Lett, 8, 2017
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9NSE
 | | BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE, ETHYL-ISOSELENOUREA COMPLEX | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, CACODYLIC ACID, ... | | Authors: | Li, H, Raman, C.S, Martasek, P, Kral, V, Masters, B.S.S, Poulos, T.L. | | Deposit date: | 1999-01-13 | | Release date: | 2000-10-25 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Mapping the active site polarity in structures of endothelial nitric oxide synthase heme domain complexed with isothioureas.
J.Inorg.Biochem., 81, 2000
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5MES
 | | MCL1 FAB COMPLEX IN COMPLEX WITH COMPOUND 29 | | Descriptor: | (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, ... | | Authors: | Hargreaves, D. | | Deposit date: | 2016-11-16 | | Release date: | 2017-01-18 | | Last modified: | 2017-03-08 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Structure Based Design of Non-Natural Peptidic Macrocyclic Mcl-1 Inhibitors.
ACS Med Chem Lett, 8, 2017
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7TZ2
 | | Structure of human Fibrinogen-like protein 1 | | Descriptor: | CALCIUM ION, Fibrinogen-like protein 1 | | Authors: | Ming, Q, Tran, T.H, Luca, V.C. | | Deposit date: | 2022-02-15 | | Release date: | 2022-05-11 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | LAG3 ectodomain structure reveals functional interfaces for ligand and antibody recognition.
Nat.Immunol., 23, 2022
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5MEV
 | | MCL1 FAB COMPLEX IN COMPLEX WITH COMPOUND 21 | | Descriptor: | (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, ... | | Authors: | Hargreaves, D. | | Deposit date: | 2016-11-16 | | Release date: | 2017-01-18 | | Last modified: | 2017-03-08 | | Method: | X-RAY DIFFRACTION (2.94 Å) | | Cite: | Structure Based Design of Non-Natural Peptidic Macrocyclic Mcl-1 Inhibitors
Acs Med.Chem.Lett., 8, 2017
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1NOD
 | | MURINE INDUCIBLE NITRIC OXIDE SYNTHASE OXYGENASE DIMER (DELTA 65) WITH TETRAHYDROBIOPTERIN AND SUBSTRATE L-ARGININE | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ARGININE, NITRIC OXIDE SYNTHASE, ... | | Authors: | Crane, B.R, Arvai, A.S, Getzoff, E.D, Stuehr, D.J, Tainer, J.A. | | Deposit date: | 1998-03-05 | | Release date: | 1999-03-23 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure of nitric oxide synthase oxygenase dimer with pterin and substrate.
Science, 279, 1998
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8SAI
 | | Cryo-EM structure of GPR34-Gi complex | | Descriptor: | 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, ... | | Authors: | Yong, X.H, Zhao, C, Yan, W, Shao, Z.H. | | Deposit date: | 2023-04-01 | | Release date: | 2023-10-04 | | Method: | ELECTRON MICROSCOPY (3.27 Å) | | Cite: | Cryo-EM structures of human GPR34 enable the identification of selective antagonists.
Proc.Natl.Acad.Sci.USA, 120, 2023
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7PZY
 | | Structure of the vacant Candida albicans 80S ribosome | | Descriptor: | 1,4-DIAMINOBUTANE, 18S ribosomal RNA, 25S ribosomal RNA, ... | | Authors: | Zgadzay, Y, Kolosova, O, Stetsenko, A, Jenner, L, Guskov, A, Yusupova, G, Yusupov, M. | | Deposit date: | 2021-10-13 | | Release date: | 2022-05-18 | | Last modified: | 2022-06-08 | | Method: | ELECTRON MICROSCOPY (2.32 Å) | | Cite: | E-site drug specificity of the human pathogen Candida albicans ribosome.
Sci Adv, 8, 2022
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7S5G
 | | PCSK9 in complex with compound 19 | | Descriptor: | (2E)-but-2-ene-1,4-diol, GLYCEROL, Propeptide of Proprotein convertase subtilisin/kexin type 9, ... | | Authors: | Orth, P. | | Deposit date: | 2021-09-10 | | Release date: | 2021-11-03 | | Last modified: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (2.041 Å) | | Cite: | A Series of Novel, Highly Potent, and Orally Bioavailable Next-Generation Tricyclic Peptide PCSK9 Inhibitors.
J.Med.Chem., 64, 2021
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7S5H
 | | PCSK9(deltaCRD) in complex with cyclic peptide 35 | | Descriptor: | (2E)-but-2-ene-1,4-diol, Pro-peptide from Proprotein convertase subtilisin/kexin type 9, Proprotein convertase subtilisin/kexin type 9, ... | | Authors: | Orth, P. | | Deposit date: | 2021-09-10 | | Release date: | 2021-11-03 | | Last modified: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (1.272 Å) | | Cite: | A Series of Novel, Highly Potent, and Orally Bioavailable Next-Generation Tricyclic Peptide PCSK9 Inhibitors.
J.Med.Chem., 64, 2021
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6L30
 | | Crystal structure of the epithelial cell transforming 2 (ECT2) | | Descriptor: | Protein ECT2 | | Authors: | Chen, Z.C, Chen, M.R, Pan, H, Sun, L.F, Shi, P. | | Deposit date: | 2019-10-07 | | Release date: | 2020-01-01 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure and regulation of human epithelial cell transforming 2 protein.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6KYQ
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