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7XJ3
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BU of 7xj3 by Molmil
Structure of human TRPV3
Descriptor: [(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (~{Z})-octadec-9-enoate, fusion of transient receptor potential cation channel subfamily V member 3 and 3C-GFP
Authors:Fan, J, Yue, Z, Jiang, D, Lei, X.
Deposit date:2022-04-14
Release date:2022-11-09
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.54 Å)
Cite:Structural basis of TRPV3 inhibition by an antagonist.
Nat.Chem.Biol., 19, 2023
7XJ0
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BU of 7xj0 by Molmil
Structure of human TRPV3 in complex with Trpvicin
Descriptor: Fusion protein of Transient receptor potential cation channel subfamily V member 3 and 3C-GFP, N-[5-[2-(2-cyanopropan-2-yl)pyridin-4-yl]-4-(trifluoromethyl)-1,3-thiazol-2-yl]-4,6-dimethoxy-pyrimidine-5-carboxamide, [(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (~{Z})-octadec-9-enoate
Authors:Fan, J, Yue, Z, Jiang, D, Lei, X.
Deposit date:2022-04-14
Release date:2022-11-09
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (2.53 Å)
Cite:Structural basis of TRPV3 inhibition by an antagonist.
Nat.Chem.Biol., 19, 2023
7XWM
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BU of 7xwm by Molmil
structure of patulin-detoxifying enzyme Y155F/V187K with NADPH
Descriptor: NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Short-chain dehydrogenase/reductase
Authors:Dai, L, Li, H, Hu, Y, Guo, R.T, Chen, C.C.
Deposit date:2022-05-26
Release date:2023-04-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Structure-based rational design of a short-chain dehydrogenase/reductase for improving activity toward mycotoxin patulin.
Int.J.Biol.Macromol., 222, 2022
2L3N
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BU of 2l3n by Molmil
Solution structure of Rap1-Taz1 fusion protein
Descriptor: DNA-binding protein rap1,Telomere length regulator taz1
Authors:Zhou, Z.R, Wang, F, Chen, Y, Lei, M, Hu, H.
Deposit date:2010-09-19
Release date:2011-01-12
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:A conserved motif within RAP1 has diversified roles in telomere protection and regulation in different organisms.
Nat.Struct.Mol.Biol., 18, 2011
3KQJ
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BU of 3kqj by Molmil
MurA binary complex with UDP-N-acetylglucosamine
Descriptor: GLYCEROL, PHOSPHATE ION, UDP-N-acetylglucosamine 1-carboxyvinyltransferase, ...
Authors:Schonbrunn, E.
Deposit date:2009-11-17
Release date:2010-04-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The Natural Product Antibiotic Terreic Acid is a Mechanism-Based Inhibitor of the Bacterial Enzyme MurA in vitro but not in vivo.
To be Published
8GYX
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BU of 8gyx by Molmil
Cryo-EM structure of human CEPT1
Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, Choline/ethanolaminephosphotransferase 1, MAGNESIUM ION
Authors:Qian, H.W, Wang, Z.H.
Deposit date:2022-09-24
Release date:2023-03-22
Last modified:2023-10-04
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structural basis for catalysis of human choline/ethanolamine phosphotransferase 1.
Nat Commun, 14, 2023
3LMI
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BU of 3lmi by Molmil
Crystal Structure of the Inactive Alpha-kinase Domain of Myosin Heavy Chain Kinase A (D766A) complex with ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Myosin heavy chain kinase A, ...
Authors:Ye, Q, Jia, Z.
Deposit date:2010-01-30
Release date:2010-03-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of the {alpha}-Kinase Domain of Dictyostelium Myosin Heavy Chain Kinase A.
Sci.Signal., 3, 2010
8GYW
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BU of 8gyw by Molmil
Cryo-EM structure of human CEPT1 complexed with CDP-choline
Descriptor: Choline/ethanolaminephosphotransferase 1, MAGNESIUM ION, [2-CYTIDYLATE-O'-PHOSPHONYLOXYL]-ETHYL-TRIMETHYL-AMMONIUM
Authors:Qian, H.W, Wang, Z.H.
Deposit date:2022-09-24
Release date:2023-03-22
Last modified:2023-10-04
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structural basis for catalysis of human choline/ethanolamine phosphotransferase 1.
Nat Commun, 14, 2023
6MUG
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BU of 6mug by Molmil
Crystal Structure of HIV-1 B41 SOSIP.664 Prefusion Env Trimer Bound to Small Molecule HIV-1 Entry Inhibitor BMS-386150 in Complex with Human Antibodies 3H109L and 35O22 at 3.8 Angstrom
Descriptor: 1-[4-(benzenecarbonyl)piperazin-1-yl]-2-(4-bromo-7-fluoro-1H-indol-3-yl)ethane-1,2-dione, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Lai, Y.-T, Kwong, P.D.
Deposit date:2018-10-23
Release date:2019-01-16
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.954 Å)
Cite:Lattice engineering enables definition of molecular features allowing for potent small-molecule inhibition of HIV-1 entry.
Nat Commun, 10, 2019
6MU7
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BU of 6mu7 by Molmil
Crystal Structure of HIV-1 BG505 SOSIP.664 Prefusion Env Trimer Bound to Small Molecule HIV-1 Entry Inhibitor BMS-818251 in Complex with Human Antibodies 3H109L and 35O22 at 3.1 Angstrom
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 35O22 scFv heavy chain portion, ...
Authors:Lai, Y.-T, Kwong, P.D.
Deposit date:2018-10-22
Release date:2019-01-16
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.501 Å)
Cite:Lattice engineering enables definition of molecular features allowing for potent small-molecule inhibition of HIV-1 entry.
Nat Commun, 10, 2019
8URF
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BU of 8urf by Molmil
Crystal Structure of human ASGR2 CRD (Carbohydrate Recognition Domain) bound to 8G8 Fab
Descriptor: 8G8 Fab Heavy Chain, 8G8 Fab Light Chain, Asialoglycoprotein receptor 2, ...
Authors:Sampathumar, P, Li, Y.
Deposit date:2023-10-25
Release date:2024-06-19
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Targeted protein degradation systems to enhance Wnt signaling.
Elife, 13, 2024
3LRS
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BU of 3lrs by Molmil
Structure of PG16, an antibody with broad and potent neutralization of HIV-1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, PG-16 Heavy Chain Fab, PG-16 Light Chain Fab
Authors:Pancera, M, Kwong, P.D.
Deposit date:2010-02-11
Release date:2010-06-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Crystal structure of PG16 and chimeric dissection with somatically related PG9: structure-function analysis of two quaternary-specific antibodies that effectively neutralize HIV-1.
J.Virol., 84, 2010
6MTJ
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BU of 6mtj by Molmil
Crystal Structure of HIV-1 BG505 SOSIP.664 Prefusion Env Trimer Bound to Small Molecule HIV-1 Entry Inhibitor BMS-378806 in Complex with Human Antibodies 3H109L and 35O22 at 2.9 Angstrom
Descriptor: 1-[(2R)-4-(benzenecarbonyl)-2-methylpiperazin-1-yl]-2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Lai, Y.-T, Kwong, P.D.
Deposit date:2018-10-19
Release date:2019-01-16
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.336 Å)
Cite:Lattice engineering enables definition of molecular features allowing for potent small-molecule inhibition of HIV-1 entry.
Nat Commun, 10, 2019
3LKM
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BU of 3lkm by Molmil
1.6 Angstrom Crystal Structure of the Alpha-kinase Domain of Myosin Heavy Chain Kinase A Complex with AMP
Descriptor: ADENOSINE MONOPHOSPHATE, MAGNESIUM ION, Myosin heavy chain kinase A, ...
Authors:Ye, Q, Jia, Z.
Deposit date:2010-01-27
Release date:2010-03-16
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal Structure of the {alpha}-Kinase Domain of Dictyostelium Myosin Heavy Chain Kinase A.
Sci.Signal., 3, 2010
3LLA
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BU of 3lla by Molmil
Crystal Structure of the Alpha-kinase Domain of Myosin Heavy Chain Kinase A Complex with AMPPCP
Descriptor: Myosin heavy chain kinase A, PHOSPHATE ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ...
Authors:Ye, Q, Jia, Z.
Deposit date:2010-01-28
Release date:2010-03-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Crystal Structure of the {alpha}-Kinase Domain of Dictyostelium Myosin Heavy Chain Kinase A.
Sci.Signal., 3, 2010
7RUN
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BU of 7run by Molmil
Crystal structure of phosphorylated RET tyrosine kinase domain complexed with a pyrrolo[2,3-d]pyrimidine inhibitor.
Descriptor: 1-(4-{(1s,3s)-3-[4-amino-5-(3-amino-4-chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl]cyclobutyl}piperazin-1-yl)ethan-1-one, CHLORIDE ION, Proto-oncogene tyrosine-protein kinase receptor Ret
Authors:Lee, C.C, Spraggon, G.
Deposit date:2021-08-17
Release date:2022-01-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.51 Å)
Cite:Antitarget Selectivity and Tolerability of Novel Pyrrolo[2,3- d ]pyrimidine RET Inhibitors.
Acs Med.Chem.Lett., 12, 2021
6MUF
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BU of 6muf by Molmil
Crystal Structure of HIV-1 B41 SOSIP.664 Prefusion Env Trimer in Complex with Human Antibodies 3H109L and 35O22 at 3.4 Angstrom
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 35O22 scFv heavy chain portion, ...
Authors:Lai, Y.-T, Kwong, P.D.
Deposit date:2018-10-23
Release date:2019-01-16
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:Lattice engineering enables definition of molecular features allowing for potent small-molecule inhibition of HIV-1 entry.
Nat Commun, 10, 2019
3LMO
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BU of 3lmo by Molmil
Crystal Structure of specialized acyl carrier protein (RPA2022) from Rhodopseudomonas palustris, Northeast Structural Genomics Consortium Target RpR324
Descriptor: Specialized acyl carrier protein
Authors:Forouhar, F, Rossi, P, Lew, S, Seetharaman, J, Mao, M, Xiao, R, Ciccosanti, C, Wang, H, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2010-01-31
Release date:2010-02-16
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of a specialized acyl carrier protein essential for lipid A biosynthesis with very long-chain fatty acids in open and closed conformations.
Biochemistry, 51, 2012
3LMH
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BU of 3lmh by Molmil
Crystal Structure of the Alpha-kinase Domain of Myosin Heavy Chain Kinase A Complex with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Myosin heavy chain kinase A, PHOSPHATE ION, ...
Authors:Ye, Q, Jia, Z.
Deposit date:2010-01-30
Release date:2010-03-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of the {alpha}-Kinase Domain of Dictyostelium Myosin Heavy Chain Kinase A.
Sci.Signal., 3, 2010
6MTN
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BU of 6mtn by Molmil
Crystal Structure of HIV-1 BG505 SOSIP.664 Prefusion Env Trimer Bound to Small Molecule HIV-1 Entry Inhibitor Compound 484 in Complex with Human Antibodies 3H109L and 35O22 at 3.0 Angstrom
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 35O22 scFv heavy chain portion, ...
Authors:Lai, Y.-T, Kwong, P.D.
Deposit date:2018-10-20
Release date:2019-01-16
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Lattice engineering enables definition of molecular features allowing for potent small-molecule inhibition of HIV-1 entry.
Nat Commun, 10, 2019
6MU8
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BU of 6mu8 by Molmil
Crystal Structure of HIV-1 BG505 SOSIP.664 Prefusion Env Trimer Bound to Small Molecule HIV-1 Entry Inhibitor BMS-386150 in Complex with Human Antibodies 3H109L and 35O22 at 3.5 Angstrom
Descriptor: 1-[4-(benzenecarbonyl)piperazin-1-yl]-2-(4-bromo-7-fluoro-1H-indol-3-yl)ethane-1,2-dione, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Lai, Y.-T, Kwong, P.D.
Deposit date:2018-10-22
Release date:2019-01-16
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.993 Å)
Cite:Lattice engineering enables definition of molecular features allowing for potent small-molecule inhibition of HIV-1 entry.
Nat Commun, 10, 2019
3LTH
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BU of 3lth by Molmil
E. cloacae MurA dead-end complex with UNAG and fosfomycin
Descriptor: UDP-N-acetylglucosamine 1-carboxyvinyltransferase, URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE, [(1R)-1-hydroxypropyl]phosphonic acid
Authors:Schonbrunn, E.
Deposit date:2010-02-15
Release date:2010-05-05
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:The fungal product terreic acid is a covalent inhibitor of the bacterial cell wall biosynthetic enzyme UDP-N-acetylglucosamine 1-carboxyvinyltransferase (MurA) .
Biochemistry, 49, 2010
6MU6
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BU of 6mu6 by Molmil
Crystal Structure of HIV-1 BG505 SOSIP.664 Prefusion Env Trimer Bound to Small Molecule HIV-1 Entry Inhibitor BMS-814508 in Complex with Human Antibodies 3H109L and 35O22 at 3.2 Angstrom
Descriptor: (2R)-{1-[{7-[2-({[3-(dimethylamino)propyl](methyl)amino}methyl)-1,3-thiazol-4-yl]-4-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl}(oxo)acetyl]piperidin-4-yl}(phenyl)acetonitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Lai, Y.-T, Kwong, P.D.
Deposit date:2018-10-22
Release date:2019-01-16
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.551 Å)
Cite:Lattice engineering enables definition of molecular features allowing for potent small-molecule inhibition of HIV-1 entry.
Nat Commun, 10, 2019
7T98
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BU of 7t98 by Molmil
Crystal structure of engineered CYS-CYS fab dimer VL-108 (LC33)
Descriptor: FAB Heavy Chain, FAB Light Chain
Authors:Harris, S.F, Boenig, G.D.L.
Deposit date:2021-12-18
Release date:2022-10-12
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.97 Å)
Cite:Antibody interfaces revealed through structural mining.
Comput Struct Biotechnol J, 20, 2022
7T97
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BU of 7t97 by Molmil
Crystal structure of engineered CYS-CYS fab dimer CH1-207 (HC4)
Descriptor: FAB Heavy chain, FAB Light Chain
Authors:Harris, S.F, Boenig, G.D.L.
Deposit date:2021-12-18
Release date:2022-10-12
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.144 Å)
Cite:Antibody interfaces revealed through structural mining.
Comput Struct Biotechnol J, 20, 2022

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数据于2024-10-30公开中

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