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6JKV
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BU of 6jkv by Molmil
PppA, a key regulatory component of T6SS in Pseudomonas aeruginosa
Descriptor: MANGANESE (II) ION, PppA
Authors:Wang, T, Liu, L, Wu, Y, Li, D.
Deposit date:2019-03-02
Release date:2019-06-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of PppA from Pseudomonas aeruginosa, a key regulatory component of type VI secretion systems.
Biochem.Biophys.Res.Commun., 516, 2019
3ULI
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BU of 3uli by Molmil
Human Cyclin Dependent Kinase 2 (CDK2) bound to azabenzimidazole derivative
Descriptor: 1-(aminomethyl)-N-(3-{[6-bromo-2-(4-methoxyphenyl)-3H-imidazo[4,5-b]pyridin-7-yl]amino}propyl)cyclopropanecarboxamide, Cyclin-dependent kinase 2
Authors:Larsen, N.A, Tucker, J.A, Wang, T.
Deposit date:2011-11-10
Release date:2013-08-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of azabenzimidazole derivatives as potent, selective inhibitors of TBK1/IKK epsilon kinases.
Bioorg.Med.Chem.Lett., 22, 2012
2MUZ
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BU of 2muz by Molmil
ssNMR structure of a designed rocker protein
Descriptor: designed rocker protein
Authors:Wang, T, Joh, N, Wu, Y, DeGrado, W.F, Hong, M.
Deposit date:2014-09-18
Release date:2014-12-24
Last modified:2015-01-14
Method:SOLUTION NMR
Cite:De novo design of a transmembrane Zn2+-transporting four-helix bundle.
Science, 346, 2014
7EMG
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BU of 7emg by Molmil
Carbonyl Reductase Variant 4 (R123C/L209P/F183Y/V61K) from Serratia marcescens complexed with NADP+
Descriptor: 1,2-ETHANEDIOL, 3-oxoacyl-[acyl-carrier-protein] reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Zheng, Y.C, Wang, T, Bai, Y.P.
Deposit date:2021-04-14
Release date:2021-10-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.449 Å)
Cite:Stereoselective synthesis of chiral delta-lactones via an engineered carbonyl reductase.
Chem.Commun.(Camb.), 57, 2021
7W5G
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BU of 7w5g by Molmil
The apo structure of trichobrasilenol synthase TaTC6 with the space group of orthorhombic
Descriptor: GLYCEROL, SULFATE ION, Terpene cyclase 6
Authors:Chen, C, Wang, T, Yang, Y, Zhang, L, Ko, T, Huang, J, Guo, R.
Deposit date:2021-11-30
Release date:2022-06-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural insights into the cyclization of unusual brasilane-type sesquiterpenes.
Int.J.Biol.Macromol., 209, 2022
7W5F
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BU of 7w5f by Molmil
The apo structure of trichobrasilenol synthase TaTC6 with the space group of monoclinic
Descriptor: MAGNESIUM ION, Terpene cyclase 6
Authors:Chen, C, Wang, T, Yang, Y, Zhang, L, Ko, T, Huang, J, Guo, R.
Deposit date:2021-11-30
Release date:2022-06-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Structural insights into the cyclization of unusual brasilane-type sesquiterpenes.
Int.J.Biol.Macromol., 209, 2022
7W5I
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BU of 7w5i by Molmil
The structure of trichobrasilenol synthase TaTC6 in complex with FPP-1
Descriptor: FARNESYL DIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ...
Authors:Chen, C, Wang, T, Yang, Y, Zhang, L, Ko, T, Huang, J, Guo, R.
Deposit date:2021-11-30
Release date:2022-06-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Structural insights into the cyclization of unusual brasilane-type sesquiterpenes.
Int.J.Biol.Macromol., 209, 2022
7W5J
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BU of 7w5j by Molmil
The structure of trichobrasilenol synthase TaTC6 in complex with FPP-2
Descriptor: FARNESYL, FARNESYL DIPHOSPHATE, GLYCEROL, ...
Authors:Chen, C, Wang, T, Yang, Y, Zhang, L, Ko, T, Huang, J, Guo, R.
Deposit date:2021-11-30
Release date:2022-06-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural insights into the cyclization of unusual brasilane-type sesquiterpenes.
Int.J.Biol.Macromol., 209, 2022
7W5H
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BU of 7w5h by Molmil
The structure of trichobrasilenol synthase TaTC6 in complex with FsPP
Descriptor: GLYCEROL, MAGNESIUM ION, MALONATE ION, ...
Authors:Chen, C, Wang, T, Yang, Y, Zhang, L, Ko, T, Huang, J, Guo, R.
Deposit date:2021-11-30
Release date:2022-08-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural insights into the cyclization of unusual brasilane-type sesquiterpenes.
Int.J.Biol.Macromol., 209, 2022
5JNX
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BU of 5jnx by Molmil
The 6.6 A cryo-EM structure of the full-length human NPC1 in complex with the cleaved glycoprotein of Ebola virus
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein, ...
Authors:Gong, X, Qian, H.W, Zhou, X.H, Wu, J.P, Wan, T, Shi, Y, Gao, F, Zhou, Q, Yan, N.
Deposit date:2016-05-01
Release date:2016-06-15
Last modified:2020-08-05
Method:ELECTRON MICROSCOPY (6.56 Å)
Cite:Structural Insights into the Niemann-Pick C1 (NPC1)-Mediated Cholesterol Transfer and Ebola Infection
Cell, 165, 2016
3PL9
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BU of 3pl9 by Molmil
Crystal structure of spinach minor light-harvesting complex CP29 at 2.80 angstrom resolution
Descriptor: (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ...
Authors:Pan, X.W, Li, M, Wan, T, Wang, L.F, Jia, C.J, Hou, Z.Q, Zhao, X.L, Zhang, J.P, Chang, W.R.
Deposit date:2010-11-14
Release date:2011-02-09
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural insights into energy regulation of light-harvesting complex CP29 from spinach.
Nat.Struct.Mol.Biol., 18, 2011
1QOK
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BU of 1qok by Molmil
MFE-23 AN ANTI-CARCINOEMBRYONIC ANTIGEN SINGLE-CHAIN FV ANTIBODY
Descriptor: MFE-23 RECOMBINANT ANTIBODY FRAGMENT
Authors:Boehm, M.K, Corper, A.L, Wan, T, Sohi, M.K, Sutton, B.J, Thornton, J.D, Keep, P.A, Chester, K.A, Begent, R.H.J, Perkins, S.J.
Deposit date:1999-11-11
Release date:2000-11-10
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structure of the Anti-Carcinoembryonic Antigen Single-Chain Fv Antibody Mfe-23 and a Model for Antigen Binding Based on Intermolecular Contacts
Biochem.J., 346, 2000
2VQI
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BU of 2vqi by Molmil
Structure of the P pilus usher (PapC) translocation pore
Descriptor: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, LAURYL DIMETHYLAMINE-N-OXIDE, OUTER MEMBRANE USHER PROTEIN PAPC
Authors:Remaut, H, Tang, C, Henderson, N.S, Pinkner, J.S, Wang, T, Hultgren, S.J, Thanassi, D.G, Li, H, Waksman, G.
Deposit date:2008-03-16
Release date:2008-05-27
Last modified:2019-01-16
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Fiber formation across the bacterial outer membrane by the chaperone/usher pathway.
Cell, 133, 2008
8WRZ
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BU of 8wrz by Molmil
Cry-EM structure of cannabinoid receptor-arrestin 2 complex
Descriptor: (6~{a}~{R},9~{R},10~{a}~{R})-9-(hydroxymethyl)-3-(8-isothiocyanato-2-methyl-octan-2-yl)-6,6-dimethyl-6~{a},7,8,9,10,10~{a}-hexahydrobenzo[c]chromen-1-ol, Beta-arrestin-1, Soluble cytochrome b562,Cannabinoid receptor 1, ...
Authors:Wang, Y.X, Wang, T, Wu, L.J, Hua, T, Liu, Z.J.
Deposit date:2023-10-16
Release date:2024-02-28
Last modified:2024-04-10
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Cryo-EM structure of cannabinoid receptor CB1-beta-arrestin complex.
Protein Cell, 15, 2024
1T91
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BU of 1t91 by Molmil
crystal structure of human small GTPase Rab7(GTP)
Descriptor: GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Ras-related protein Rab-7
Authors:Song, H, Hong, W, Wu, M, Wang, T.
Deposit date:2004-05-14
Release date:2005-05-17
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis for recruitment of RILP by small GTPase Rab7.
Embo J., 24, 2005
4IFB
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BU of 4ifb by Molmil
Crystal structure of SULT 2A1 LLGG mutant with PAPS
Descriptor: 3'-PHOSPHATE-ADENOSINE-5'-PHOSPHATE SULFATE, Bile salt sulfotransferase, PHOSPHATE ION, ...
Authors:Kim, J, Toro, R, Bhosle, R, Cook, I, Wang, T, Falany, C.N, Leyh, T.S, Almo, S.C.
Deposit date:2012-12-14
Release date:2013-02-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Sulfotransferase Selectivity at the Molecular level
To be Published
4IJF
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BU of 4ijf by Molmil
Crystal structure of the Zaire ebolavirus VP35 interferon inhibitory domain K222A/R225A/K248A/K251A mutant
Descriptor: Polymerase cofactor VP35
Authors:Binning, J.B, Wang, T, Leung, D.W, Xu, W, Borek, D, Amarasinghe, G.K.
Deposit date:2012-12-21
Release date:2013-10-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.506 Å)
Cite:Development of RNA Aptamers Targeting Ebola Virus VP35.
Biochemistry, 52, 2013
4IJE
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BU of 4ije by Molmil
Crystal structure of the Zaire ebolavirus VP35 interferon inhibitory domain R312A/K319A/R322A mutant
Descriptor: PHOSPHATE ION, POTASSIUM ION, Polymerase cofactor VP35, ...
Authors:Binning, J.B, Wang, T, Leung, D.W, Xu, W, Borek, D, Amarasinghe, G.K.
Deposit date:2012-12-21
Release date:2013-10-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.899 Å)
Cite:Development of RNA Aptamers Targeting Ebola Virus VP35.
Biochemistry, 52, 2013
7TDO
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BU of 7tdo by Molmil
Cryo-EM structure of transmembrane AAA+ protease FtsH in the ADP state
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATP-dependent zinc metalloprotease FtsH
Authors:Liu, W, Schoonen, M, Wang, T, McSweeney, S, Liu, Q.
Deposit date:2022-01-02
Release date:2022-04-06
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (3.15 Å)
Cite:Cryo-EM structure of transmembrane AAA+ protease FtsH in the ADP state.
Commun Biol, 5, 2022
8X91
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BU of 8x91 by Molmil
P/Q type calcium channel in complex with omega-conotoxin MVIIC
Descriptor: 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Yan, N, Li, Z, Cong, Y, Wu, T, Wang, T.
Deposit date:2023-11-29
Release date:2024-03-20
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.11 Å)
Cite:Structural basis for different omega-agatoxin IVA sensitivities of the P-type and Q-type Ca v 2.1 channels.
Cell Res., 34, 2024
8X90
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BU of 8x90 by Molmil
P/Q type calcium channel
Descriptor: 1,2-DIDECANOYL-SN-GLYCERO-3-[PHOSPHO-L-SERINE], 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Yan, N, Li, Z, Cong, Y, Wu, T, Wang, T.
Deposit date:2023-11-29
Release date:2024-03-20
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.95 Å)
Cite:Structural basis for different omega-agatoxin IVA sensitivities of the P-type and Q-type Ca v 2.1 channels.
Cell Res., 34, 2024
8X93
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BU of 8x93 by Molmil
P/Q type calcium channel in complex with omega-Agatoxin IVA
Descriptor: 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Yan, N, Li, Z, Cong, Y, Wu, T, Wang, T.
Deposit date:2023-11-29
Release date:2024-03-20
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.92 Å)
Cite:Structural basis for different omega-agatoxin IVA sensitivities of the P-type and Q-type Ca v 2.1 channels.
Cell Res., 34, 2024
7VBU
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BU of 7vbu by Molmil
Crystal structure of human pyruvate dehydrogenase kinase 2 in complex with compound 5
Descriptor: 8-cyclopropyl-2-methyl-9H-pyrido[2,3-b]indole, ACETATE ION, CHLORIDE ION, ...
Authors:Orita, T, Doi, S, Iwanaga, T, Fujishima, A, Adachi, T.
Deposit date:2021-09-01
Release date:2022-02-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Structure-based drug design of novel and highly potent pyruvate dehydrogenase kinase inhibitors.
Bioorg.Med.Chem., 52, 2021
7VBX
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BU of 7vbx by Molmil
Crystal structure of human pyruvate dehydrogenase kinase 2 in complex with compound 20
Descriptor: (3~{S})-3-[5-(8-cyclopropyl-2-methyl-9~{H}-pyrido[2,3-b]indol-3-yl)-1,3,4-oxadiazol-2-yl]-4-methyl-~{N}-[(1~{R})-1-phenylethyl]pentanamide, ACETATE ION, CHLORIDE ION, ...
Authors:Orita, T, Doi, S, Iwanaga, T, Fujishima, A, Adachi, T.
Deposit date:2021-09-01
Release date:2022-02-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure-based drug design of novel and highly potent pyruvate dehydrogenase kinase inhibitors.
Bioorg.Med.Chem., 52, 2021
7VBV
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BU of 7vbv by Molmil
Crystal structure of human pyruvate dehydrogenase kinase 2 in complex with compound 7
Descriptor: ACETATE ION, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Orita, T, Doi, S, Iwanaga, T, Fujishima, A, Adachi, T.
Deposit date:2021-09-01
Release date:2022-02-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Structure-based drug design of novel and highly potent pyruvate dehydrogenase kinase inhibitors.
Bioorg.Med.Chem., 52, 2021

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