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8JSP
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BU of 8jsp by Molmil
Ulotaront(SEP-363856)-bound Serotonin 1A (5-HT1A) receptor-Gi complex
Descriptor: 1-[(7~{S})-5,7-dihydro-4~{H}-thieno[2,3-c]pyran-7-yl]-~{N}-methyl-methanamine, 5-hydroxytryptamine receptor 1A, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Xu, Z, Guo, L.L, Zhao, C, Shen, S.Y, Sun, J.P, Shao, Z.H.
Deposit date:2023-06-20
Release date:2023-11-15
Last modified:2024-01-03
Method:ELECTRON MICROSCOPY (3.65 Å)
Cite:Ligand recognition and G-protein coupling of trace amine receptor TAAR1.
Nature, 624, 2023
8JSO
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BU of 8jso by Molmil
AMPH-bound hTAAR1-Gs protein complex
Descriptor: (2S)-1-phenylpropan-2-amine, 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, ...
Authors:Xu, Z, Guo, L.L, Zhao, C, Shen, S.Y, Sun, J.P, Shao, Z.H.
Deposit date:2023-06-20
Release date:2023-11-15
Last modified:2024-01-03
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Ligand recognition and G-protein coupling of trace amine receptor TAAR1.
Nature, 624, 2023
5B0K
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BU of 5b0k by Molmil
Structure of MoeN5-Sso7d fusion protein in complex with beta-decyl maltoside
Descriptor: DECYL-BETA-D-MALTOPYRANOSIDE, MoeN5,DNA-binding protein 7d
Authors:Ko, T.-P, Zhang, L, Chen, C.-C, Guo, R.-T.
Deposit date:2015-10-30
Release date:2016-03-23
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Moenomycin Biosynthesis: Structure and Mechanism of Action of the Prenyltransferase MoeN5.
Angew.Chem.Int.Ed.Engl., 55, 2016
3SH0
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BU of 3sh0 by Molmil
Crystal Structure of E. coli undecaprenyl pyrophosphate synthase in complex with BPH-1065
Descriptor: 2-(dodecyloxy)-6-hydroxybenzoic acid, Undecaprenyl pyrophosphate synthase
Authors:Cao, R, Liu, Y.-L, Oldfield, E.
Deposit date:2011-06-15
Release date:2012-12-19
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Antibacterial drug leads targeting isoprenoid biosynthesis.
Proc.Natl.Acad.Sci.USA, 110, 2013
3SGX
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BU of 3sgx by Molmil
Crystal Structure of E. coli undecaprenyl pyrophosphate synthase in complex with BPH-1100
Descriptor: 4-{3-[(biphenyl-4-ylcarbonyl)amino]phenoxy}benzene-1,2-dicarboxylic acid, Undecaprenyl pyrophosphate synthase
Authors:Cao, R, Liu, Y.-L, Oldfield, E.
Deposit date:2011-06-15
Release date:2012-12-19
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Antibacterial drug leads targeting isoprenoid biosynthesis.
Proc.Natl.Acad.Sci.USA, 110, 2013
5B0I
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BU of 5b0i by Molmil
Structure of MoeN5-Sso7d fusion protein in complex with beta-octyl glucoside
Descriptor: MoeN5,DNA-binding protein 7d, octyl beta-D-glucopyranoside
Authors:Ko, T.-P, Zhang, L, Chen, C.-C, Guo, R.-T, Oldfield, E.O.
Deposit date:2015-10-30
Release date:2016-03-23
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Moenomycin Biosynthesis: Structure and Mechanism of Action of the Prenyltransferase MoeN5.
Angew.Chem.Int.Ed.Engl., 55, 2016
3SGT
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BU of 3sgt by Molmil
Crystal Structure of E. coli undecaprenyl pyrophosphate synthase in complex with BPH-1299
Descriptor: 2-{[4-(3,4-dimethylphenoxy)phenyl]carbamoyl}benzoic acid, Undecaprenyl pyrophosphate synthase
Authors:Cao, R, Liu, Y.-L, Oldfield, E.
Deposit date:2011-06-15
Release date:2012-12-19
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Antibacterial drug leads targeting isoprenoid biosynthesis.
Proc.Natl.Acad.Sci.USA, 110, 2013
3TH8
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BU of 3th8 by Molmil
Structure of E. coli undecaprenyl diphosphate synthase complexed with BPH-1063
Descriptor: (2Z)-4-({3-[3-(hexyloxy)phenyl]propyl}amino)-2-hydroxy-4-oxobut-2-enoic acid, Undecaprenyl pyrophosphate synthase
Authors:Cao, R, Zhu, W, Zhang, Y, Oldfield, E.
Deposit date:2011-08-18
Release date:2012-07-04
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.114 Å)
Cite:HIV-1 Integrase Inhibitor-Inspired Antibacterials Targeting Isoprenoid Biosynthesis.
ACS Med Chem Lett, 3, 2012
5B02
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BU of 5b02 by Molmil
Structure of the prenyltransferase MoeN5 with a fusion protein tag of Sso7d
Descriptor: MoeN5,DNA-binding protein 7d
Authors:Ko, T.-P, Zhang, L, Chen, C.-C, Guo, R.-T, Oldfield, E.O.
Deposit date:2015-10-27
Release date:2016-03-23
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Moenomycin Biosynthesis: Structure and Mechanism of Action of the Prenyltransferase MoeN5.
Angew.Chem.Int.Ed.Engl., 55, 2016
5B00
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BU of 5b00 by Molmil
Structure of the prenyltransferase MoeN5 in complex with geranyl pyrophosphate
Descriptor: GERANYL DIPHOSPHATE, MoeN5
Authors:Ko, T.-P, Zhang, L, Chen, C.-C, Guo, R.-T.
Deposit date:2015-10-27
Release date:2016-03-23
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Moenomycin Biosynthesis: Structure and Mechanism of Action of the Prenyltransferase MoeN5.
Angew.Chem.Int.Ed.Engl., 55, 2016
5B0L
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BU of 5b0l by Molmil
Structure of MoeN5-Sso7d fusion protein in complex with beta-nonyl glucoside
Descriptor: MoeN5,DNA-binding protein 7d, nonyl beta-D-glucopyranoside
Authors:Ko, T.-P, Zhang, L, Chen, C.-C, Guo, R.-T, Oldfield, E.O.
Deposit date:2015-11-02
Release date:2016-03-23
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Moenomycin Biosynthesis: Structure and Mechanism of Action of the Prenyltransferase MoeN5.
Angew.Chem.Int.Ed.Engl., 55, 2016
5B03
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BU of 5b03 by Molmil
Structure of MoeN5-Sso7d fusion protein in complex with geranyl pyrophosphate
Descriptor: GERANYL DIPHOSPHATE, MoeN5,DNA-binding protein 7d
Authors:Ko, T.-P, Zhang, L, Chen, C.-C, Guo, R.-T, Oldfield, E.O.
Deposit date:2015-10-27
Release date:2016-03-23
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Moenomycin Biosynthesis: Structure and Mechanism of Action of the Prenyltransferase MoeN5.
Angew.Chem.Int.Ed.Engl., 55, 2016
5NMI
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BU of 5nmi by Molmil
Cytochrome bc1 bound to the inhibitor MJM170
Descriptor: (4aS)-2-methyl-3-(4-phenoxyphenyl)-5,6,7,8-tetrahydroquinolin-4(4aH)-one, 1,2-Dioleoyl-sn-glycero-3-phosphoethanolamine, ARG-ASN-TRP-VAL-PRO-THR-ALA-GLN-LEU-TRP-GLY-ALA-VAL-GLY-ALA-VAL-GLY-LEU-VAL-SER-ALA-THR, ...
Authors:Capper, N.J, Antonyuk, S.V, Hasnain, S.S.
Deposit date:2017-04-05
Release date:2017-06-14
Last modified:2018-12-19
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:New paradigms for understanding and step changes in treating active and chronic, persistent apicomplexan infections.
Sci Rep, 6, 2016
1QQY
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BU of 1qqy by Molmil
X-RAY CRYSTAL STRUCTURE ANALYSIS OF CANINE MILK LYSOZYME (APO-TYPE)
Descriptor: LYSOZYME C
Authors:Koshiba, T, Yao, M, Tanaka, I, Nitta, K.
Deposit date:1999-06-09
Release date:2000-06-09
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure and thermodynamics of the extraordinarily stable molten globule state of canine milk lysozyme.
Biochemistry, 39, 2000
1JW6
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BU of 1jw6 by Molmil
Crystal Structure of the Complex of Concanavalin A and Hexapeptide
Descriptor: CALCIUM ION, Concanavalin A, ISOPROPYL ALCOHOL, ...
Authors:Zhang, Z, Qian, M, Huang, Q, Jia, Y, Tang, Y.
Deposit date:2001-09-02
Release date:2001-09-26
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Crystal structure of the complex of concanavalin A and hexapeptide.
J.Protein Chem., 20, 2001
3AE0
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BU of 3ae0 by Molmil
Crystal structure of the C(30) carotenoid dehydrosqualene synthase from Staphylococcus aureus complexed with geranylgeranyl thiopyrophosphate
Descriptor: Dehydrosqualene synthase, MAGNESIUM ION, phosphonooxy-[(10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]sulfanyl-phosphinic acid
Authors:Liu, C.I, Jeng, W.Y, Wang, A.H.J, Oldfield, E.
Deposit date:2010-01-31
Release date:2010-11-24
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Mechanism of action and inhibition of dehydrosqualene synthase.
Proc.Natl.Acad.Sci.USA, 107, 2010
7Q1N
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BU of 7q1n by Molmil
Crystal structure of human butyrylcholinesterase in complex with N-[(2R)-3-[(cyclohexylmethyl)amino]-2-hydroxypropyl]-2,2-diphenylacetamide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Brazzolotto, X, Panek, D, Pasieka, A, Malawska, B, Nachon, F.
Deposit date:2021-10-20
Release date:2022-11-16
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Discovery of new, highly potent and selective inhibitors of BuChE - design, synthesis, in vitro and in vivo evaluation and crystallography studies.
Eur.J.Med.Chem., 249, 2023
7Q1P
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BU of 7q1p by Molmil
Crystal structure of human butyrylcholinesterase in complex with N-[(2R)-3-[(cyclohexylmethyl)amino]-2-hydroxypropyl]-3,3-diphenylpropanamide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Brazzolotto, X, Panek, D, Pasieka, A, Malawska, B, Nachon, F.
Deposit date:2021-10-20
Release date:2022-11-16
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Discovery of new, highly potent and selective inhibitors of BuChE - design, synthesis, in vitro and in vivo evaluation and crystallography studies.
Eur.J.Med.Chem., 249, 2023
7Q1O
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BU of 7q1o by Molmil
Crystal structure of human butyrylcholinesterase in complex with N-[(2S)-3-[(cyclohexylmethyl)amino]-2-hydroxypropyl]-3,3-diphenylpropanamide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Brazzolotto, X, Panek, D, Pasieka, A, Malawska, B, Nachon, F.
Deposit date:2021-10-20
Release date:2022-11-16
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Discovery of new, highly potent and selective inhibitors of BuChE - design, synthesis, in vitro and in vivo evaluation and crystallography studies.
Eur.J.Med.Chem., 249, 2023
2DCV
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BU of 2dcv by Molmil
The solution structure of horseshoe crab antimicrobial peptide tachystatin b with the inhibitory cystine-knot motif
Descriptor: Tachystatin-B1
Authors:Fujitani, N, Kohno, T.
Deposit date:2006-01-16
Release date:2007-01-23
Last modified:2022-03-09
Method:SOLUTION NMR
Cite:The solution structure of horseshoe crab antimicrobial peptide tachystatin B with an inhibitory cystine-knot motif
J.Pept.Sci., 13, 2007
4FZF
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BU of 4fzf by Molmil
Crystal structure of MST4-MO25 complex with DKI
Descriptor: 5-AMINO-3-{[4-(AMINOSULFONYL)PHENYL]AMINO}-N-(2,6-DIFLUOROPHENYL)-1H-1,2,4-TRIAZOLE-1-CARBOTHIOAMIDE, Calcium-binding protein 39, Serine/threonine-protein kinase MST4
Authors:Shi, Z.B, Zhou, Z.C.
Deposit date:2012-07-06
Release date:2013-03-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.64 Å)
Cite:Structure of the MST4 in Complex with MO25 Provides Insights into Its Activation Mechanism
Structure, 21, 2013
8GSF
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BU of 8gsf by Molmil
Echovirus3 empty particle in complex with 6D10 Fab (sideling)
Descriptor: Heavy chain of 6D10, Light chain of 6D10, VP0, ...
Authors:Wang, X, Fu, W.
Deposit date:2022-09-06
Release date:2022-12-14
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structural Basis for the Immunogenicity of the C-Terminus of VP1 of Echovirus 3 Revealed by the Binding of a Neutralizing Antibody.
Viruses, 14, 2022
8GSD
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BU of 8gsd by Molmil
Echovirus3 full particle in complex with 6D10 Fab
Descriptor: Genome polyprotein, Genome polyprotein (Fragment), Heavy chain of 6D10, ...
Authors:Wang, X, Fu, W.
Deposit date:2022-09-06
Release date:2022-12-14
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural Basis for the Immunogenicity of the C-Terminus of VP1 of Echovirus 3 Revealed by the Binding of a Neutralizing Antibody.
Viruses, 14, 2022
8GSE
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BU of 8gse by Molmil
Echovirus3 capsid protein in complex with 6D10 Fab (upright)
Descriptor: Heavy chain of 6D10, Light chain of 6D10, VP0, ...
Authors:Wang, X, Fu, W.
Deposit date:2022-09-06
Release date:2022-12-14
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structural Basis for the Immunogenicity of the C-Terminus of VP1 of Echovirus 3 Revealed by the Binding of a Neutralizing Antibody.
Viruses, 14, 2022
8GSC
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BU of 8gsc by Molmil
Echovirus3 A-particle in complex with 6D10 Fab
Descriptor: Heavy chain of 6D10, Light chain of 6D10, VP1, ...
Authors:Wang, X, Fu, W.
Deposit date:2022-09-06
Release date:2022-12-14
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural Basis for the Immunogenicity of the C-Terminus of VP1 of Echovirus 3 Revealed by the Binding of a Neutralizing Antibody.
Viruses, 14, 2022

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數據於2024-07-24公開中

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