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PDB: 670 results

6DCG
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Discovery of MK-8353: An Orally Bioavailable Dual Mechanism ERK Inhibitor for Oncology
Descriptor: (3S)-3-(methylsulfanyl)-1-(2-{4-[4-(1-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3,6-dihydropyridin-1(2H)-yl}-2-oxoethyl)-N-(3-{6-[(propan-2-yl)oxy]pyridin-3-yl}-1H-indazol-5-yl)pyrrolidine-3-carboxamide, Mitogen-activated protein kinase 1, SULFATE ION
Authors:Boga, S.B, Deng, Y, Zhu, L, Nan, Y, Cooper, A, Shipps Jr, G.W, Doll, R, Shih, N, Zhu, H, Sun, R, Wang, T, Paliwal, S, Tsui, H, Gao, X, Yao, X, Desai, J, Wang, J, Alhassan, A.B, Kelly, J, Patel, M, Muppalla, K, Gudipati, S, Zhang, L, Buevich, A, Hesk, D, Carr, D, Dayananth, P, Mei, H, Cox, K, Sherborne, B, Hruza, A.W, Xiao, L, Jin, W, Long, B, Liu, G, Taylor, S.A, Kirschmeier, P, Windsor, W.T, Bishop, R, Samatar, A.A.
Deposit date:2018-05-06
Release date:2018-08-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:MK-8353: Discovery of an Orally Bioavailable Dual Mechanism ERK Inhibitor for Oncology.
ACS Med Chem Lett, 9, 2018
8GOE
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Structure of hSLC19A1+5-MTHF
Descriptor: N-[4-({[(6S)-2-AMINO-4-HYDROXY-5-METHYL-5,6,7,8-TETRAHYDROPTERIDIN-6-YL]METHYL}AMINO)BENZOYL]-L-GLUTAMIC ACID, Reduced folate transporter
Authors:Zhang, Q.X, Zhang, X.Y, Zhu, Y.L, Sun, P.P, Gao, A, Zhang, L.G, Gao, P.
Deposit date:2022-08-24
Release date:2022-10-05
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Recognition of cyclic dinucleotides and folates by human SLC19A1.
Nature, 612, 2022
8GOF
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BU of 8gof by Molmil
Structure of hSLC19A1+PMX
Descriptor: 2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYLAMINO}-PENTANEDIOIC ACID, Reduced folate transporter
Authors:Zhang, Q.X, Zhang, X.Y, Zhu, Y.L, Sun, P.P, Gao, A, Zhang, L.G, Gao, P.
Deposit date:2022-08-24
Release date:2022-10-05
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Recognition of cyclic dinucleotides and folates by human SLC19A1.
Nature, 612, 2022
6JFH
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The asymmetric-reconstructed cryo-EM structure of Zika virus-FabZK2B10 complex
Descriptor: FabZK2B10 heavy chain, FabZK2B10 light chain, ZIKV structural E protein, ...
Authors:Wang, L, Wang, R.K, Wang, L, Ben, H.J, Yu, L, Gao, F, Shi, X.L, Yin, C.B, Zhang, F.C, Xiang, Y, Zhang, L.Q.
Deposit date:2019-02-08
Release date:2019-04-10
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (20 Å)
Cite:Structural Basis for Neutralization and Protection by a Zika Virus-Specific Human Antibody.
Cell Rep, 26, 2019
6JEP
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BU of 6jep by Molmil
Structure of a neutralizing antibody bound to the Zika envelope protein domain III
Descriptor: Genome polyprotein, heavy chain of Fab ZK2B10, light chain of Fab ZK2B10
Authors:Wang, L, Wang, R.K, Wang, L, Ben, H.J, Yu, L, Gao, F, Shi, X.L, Yin, C.B, Zhang, F.C, Xiang, Y, Zhang, L.Q.
Deposit date:2019-02-07
Release date:2019-05-15
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.316 Å)
Cite:Structural Basis for Neutralization and Protection by a Zika Virus-Specific Human Antibody.
Cell Rep, 26, 2019
8JFJ
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Crystal structure of enoyl-ACP reductase FabI from Helicobacter pylori
Descriptor: Enoyl-[acyl-carrier-protein] reductase [NADH]
Authors:Song, W.Y, Zhang, L.
Deposit date:2023-05-18
Release date:2023-11-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The Molecular Basis of Catalysis by SDR Family Members Ketoacyl-ACP Reductase FabG and Enoyl-ACP Reductase FabI in Type-II Fatty Acid Biosynthesis.
Angew.Chem.Int.Ed.Engl., 62, 2023
8JFM
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BU of 8jfm by Molmil
Crystal structure of enoyl-ACP reductase FabI in complex with NADH from Helicobacter pylori
Descriptor: Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Song, W.Y, Zhang, L.
Deposit date:2023-05-18
Release date:2023-11-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:The Molecular Basis of Catalysis by SDR Family Members Ketoacyl-ACP Reductase FabG and Enoyl-ACP Reductase FabI in Type-II Fatty Acid Biosynthesis.
Angew.Chem.Int.Ed.Engl., 62, 2023
8JFG
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BU of 8jfg by Molmil
Crystal structure of 3-oxoacyl-ACP reductase FabG in complex with NADP+ and 3-keto-octanoyl-ACP from Helicobacter pylori
Descriptor: 3-oxoacyl-[acyl-carrier-protein] reductase, Acyl carrier protein, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Zhou, J.S, Zhang, L.
Deposit date:2023-05-18
Release date:2023-11-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.83 Å)
Cite:The Molecular Basis of Catalysis by SDR Family Members Ketoacyl-ACP Reductase FabG and Enoyl-ACP Reductase FabI in Type-II Fatty Acid Biosynthesis.
Angew.Chem.Int.Ed.Engl., 62, 2023
8JFI
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BU of 8jfi by Molmil
Crystal structure of 3-oxoacyl-ACP reductase FabG in complex with NADP+ and 3-keto-hexanoyl-ACP from Helicobacter pylori
Descriptor: 3-oxoacyl-[acyl-carrier-protein] reductase, Acyl carrier protein, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Zhou, J.S, Zhang, L.
Deposit date:2023-05-18
Release date:2023-11-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:The Molecular Basis of Catalysis by SDR Family Members Ketoacyl-ACP Reductase FabG and Enoyl-ACP Reductase FabI in Type-II Fatty Acid Biosynthesis.
Angew.Chem.Int.Ed.Engl., 62, 2023
8JFA
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BU of 8jfa by Molmil
Crystal structure of 3-oxoacyl-ACP reductase FabG in complex with NADPH from Helicobacter pylori
Descriptor: 3-oxoacyl-[acyl-carrier-protein] reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Zhou, J.S, Zhang, L.
Deposit date:2023-05-17
Release date:2023-11-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:The Molecular Basis of Catalysis by SDR Family Members Ketoacyl-ACP Reductase FabG and Enoyl-ACP Reductase FabI in Type-II Fatty Acid Biosynthesis.
Angew.Chem.Int.Ed.Engl., 62, 2023
8JFH
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BU of 8jfh by Molmil
Crystal structure of 3-oxoacyl-ACP reductase FabG in complex with NADP+ and 3-keto-octanoyl-ACP from Helicobacter pylori in an inactive form that priors the acyl substrate delivery
Descriptor: 3-oxoacyl-[acyl-carrier-protein] reductase, Acyl carrier protein, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Zhou, J.S, Zhang, L.
Deposit date:2023-05-18
Release date:2023-11-15
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The Molecular Basis of Catalysis by SDR Family Members Ketoacyl-ACP Reductase FabG and Enoyl-ACP Reductase FabI in Type-II Fatty Acid Biosynthesis.
Angew.Chem.Int.Ed.Engl., 62, 2023
5J19
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BU of 5j19 by Molmil
phospho-Pon binding-induced Plk1 dimerization
Descriptor: GLYCEROL, Phosphorylated peptide from Partner of Numb, Serine/threonine-protein kinase PLK1
Authors:Zhu, K, Shan, Z, Zhang, L, Wen, W.
Deposit date:2016-03-29
Release date:2016-06-15
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:Phospho-Pon Binding-Mediated Fine-Tuning of Plk1 Activity
Structure, 24, 2016
5DUP
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BU of 5dup by Molmil
Influenza A virus H5 hemagglutinin globular head in complex with antibody AVFluIgG03
Descriptor: AVFluIgG03 Heavy Chain, AVFluIgG03 Light Chain, Hemagglutinin
Authors:Zuo, T, Sun, J, Wang, G, Zhou, P, Wang, X, Zhang, L.
Deposit date:2015-09-20
Release date:2015-12-16
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (3.052 Å)
Cite:Comprehensive analysis of antibody recognition in convalescent humans from highly pathogenic avian influenza H5N1 infection
Nat Commun, 6, 2015
5Z6P
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BU of 5z6p by Molmil
The crystal structure of an agarase, AgWH50C
Descriptor: B-agarase
Authors:Mao, X, Zhou, J, Zhang, P, Zhang, L, Zhang, J, Li, Y.
Deposit date:2018-01-24
Release date:2019-01-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.061 Å)
Cite:Structure-based design of agarase AgWH50C from Agarivorans gilvus WH0801 to enhance thermostability.
Appl. Microbiol. Biotechnol., 103, 2019
5DUM
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BU of 5dum by Molmil
Crystal structure of influenza A virus H5 hemagglutinin globular head in complex with the Fab of antibody 65C6
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 65C6 Heavy Chain, 65C6 Light Chain, ...
Authors:Sun, J, Zuo, T, Wang, G, Zhou, P, Zhang, L, Wang, X.
Deposit date:2015-09-19
Release date:2015-12-16
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.003 Å)
Cite:Comprehensive analysis of antibody recognition in convalescent humans from highly pathogenic avian influenza H5N1 infection
Nat Commun, 6, 2015
5DUR
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BU of 5dur by Molmil
Influenza A virus H5 hemagglutinin globular head in complex with antibody 100F4
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy Chain of Antibody 100F4, Hemagglutinin, ...
Authors:Zuo, T, Sun, J, Wang, G, Zhou, P, Wang, X, Zhang, L.
Deposit date:2015-09-20
Release date:2015-12-16
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.82 Å)
Cite:Comprehensive analysis of antibody recognition in convalescent humans from highly pathogenic avian influenza H5N1 infection
Nat Commun, 6, 2015
5DUT
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BU of 5dut by Molmil
Influenza A virus H5 hemagglutinin globular head
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin
Authors:Zuo, T, Sun, J, Wang, G, Zhou, P, Wang, X, Zhang, L.
Deposit date:2015-09-20
Release date:2015-12-16
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Comprehensive analysis of antibody recognition in convalescent humans from highly pathogenic avian influenza H5N1 infection
Nat Commun, 6, 2015
8JFN
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BU of 8jfn by Molmil
Crystal structure of enoyl-ACP reductase FabI in complex with NAD+ and crotonyl-ACP from Helicobacter pylori
Descriptor: Acyl carrier protein, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Song, W.Y, Zhang, L.
Deposit date:2023-05-18
Release date:2023-11-15
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:The Molecular Basis of Catalysis by SDR Family Members Ketoacyl-ACP Reductase FabG and Enoyl-ACP Reductase FabI in Type-II Fatty Acid Biosynthesis.
Angew.Chem.Int.Ed.Engl., 62, 2023
8JF9
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BU of 8jf9 by Molmil
Crystal structure of 3-oxoacyl-ACP reductase FabG from Helicobacter pylori
Descriptor: 3-oxoacyl-[acyl-carrier-protein] reductase
Authors:Zhou, J.S, Zhang, L.
Deposit date:2023-05-17
Release date:2023-11-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The Molecular Basis of Catalysis by SDR Family Members Ketoacyl-ACP Reductase FabG and Enoyl-ACP Reductase FabI in Type-II Fatty Acid Biosynthesis.
Angew.Chem.Int.Ed.Engl., 62, 2023
7BVH
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BU of 7bvh by Molmil
Crystal structure of arabinosyltransferase EmbC2-AcpM2 complex from Mycobacterium smegmatis complexed with di-arabinose
Descriptor: CALCIUM ION, Integral membrane indolylacetylinositol arabinosyltransferase EmbC, Meromycolate extension acyl carrier protein, ...
Authors:Zhao, Y, Zhang, L, Wu, L.J, Wang, Q, Li, J, Besra, G.S, Rao, Z.H.
Deposit date:2020-04-10
Release date:2020-04-29
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structures of cell wall arabinosyltransferases with the anti-tuberculosis drug ethambutol.
Science, 368, 2020
5DFZ
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Structure of Vps34 complex II from S. cerevisiae.
Descriptor: Nanobody binding S. cerevisiae Vps34, Phosphatidylinositol 3-kinase VPS34, Putative N-terminal domain of S. cerevisiae Vps30, ...
Authors:Rostislavleva, K, Soler, N, Ohashi, Y, Zhang, L, Williams, R.L.
Deposit date:2015-08-27
Release date:2015-10-07
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (4.4 Å)
Cite:Structure and flexibility of the endosomal Vps34 complex reveals the basis of its function on membranes.
Science, 350, 2015
6AHF
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BU of 6ahf by Molmil
CryoEM Reconstruction of Hsp104 N728A Hexamer
Descriptor: Heat shock protein 104, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER
Authors:Zhang, X, Zhang, L, Zhang, S.
Deposit date:2018-08-17
Release date:2019-02-13
Last modified:2024-10-30
Method:ELECTRON MICROSCOPY (6.78 Å)
Cite:Heat shock protein 104 (HSP104) chaperones soluble Tau via a mechanism distinct from its disaggregase activity.
J. Biol. Chem., 294, 2019
5DP4
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Crystal Structure of EV71 3C Proteinase in complex with compound 3
Descriptor: 3C proteinase, ethyl (2Z,4S)-4-{[(2S)-2-methyl-3-phenylpropanoyl]amino}-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
Authors:Wu, C, Zhang, L, Li, P, Cai, Q, Peng, X, Li, N, Cai, Y, Li, J, Lin, T.
Deposit date:2015-09-12
Release date:2016-03-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Fragment-wise design of inhibitors to 3C proteinase from enterovirus 71
Biochim.Biophys.Acta, 1860, 2016
5DP9
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Crystal Structure of EV71 3C Proteinase in complex with compound 9
Descriptor: 3C proteinase, ethyl (2Z,4S)-4-[(N-{[(cyclobutylmethyl)amino](oxo)acetyl}-L-phenylalanyl)amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
Authors:Wu, C, Zhang, L, Li, P, Cai, Q, Peng, X, Li, N, Cai, Y, Li, J, Lin, T.
Deposit date:2015-09-12
Release date:2016-03-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Fragment-wise design of inhibitors to 3C proteinase from enterovirus 71
Biochim.Biophys.Acta, 1860, 2016
5DP8
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Crystal Structure of EV71 3C Proteinase in complex with compound 8
Descriptor: 3C proteinase, ethyl (2Z,4S)-4-[(N-{[(2-cyclopropylethyl)amino](oxo)acetyl}-L-phenylalanyl)amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
Authors:Wu, C, Zhang, L, Li, P, Cai, Q, Peng, X, Li, N, Cai, Y, Li, J, Lin, T.
Deposit date:2015-09-12
Release date:2016-03-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Fragment-wise design of inhibitors to 3C proteinase from enterovirus 71
Biochim.Biophys.Acta, 1860, 2016

226707

数据于2024-10-30公开中

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