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6IWT
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BU of 6iwt by Molmil
Crystal structure of methyltransferase COMT-S in P. praeruptorum
Descriptor: DI(HYDROXYETHYL)ETHER, Pmethyltransferase pCOMT-S
Authors:Wang, N.N, Zeng, Z.X.
Deposit date:2018-12-06
Release date:2019-04-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:The Molecular and Structural Basis ofO-methylation Reaction in Coumarin Biosynthesis inPeucedanum praeruptorumDunn.
Int J Mol Sci, 20, 2019
8FOW
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BU of 8fow by Molmil
Ternary complex of CDK2 with small molecule ligands TW8672 and Dinaciclib
Descriptor: 1,2-ETHANEDIOL, 2-{[2-(1H-indol-3-yl)ethyl]amino}-5-nitrobenzoic acid, 3-[({3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl}amino)methyl]-1-hydroxypyridinium, ...
Authors:Schonbrunn, E, Sun, L.
Deposit date:2023-01-03
Release date:2023-05-31
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Development of allosteric and selective CDK2 inhibitors for contraception with negative cooperativity to cyclin binding.
Nat Commun, 14, 2023
8FP5
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BU of 8fp5 by Molmil
CDK2 liganded with ATP and Mg2+
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, Cyclin-dependent kinase 2, ...
Authors:Schonbrunn, E, Sun, L.
Deposit date:2023-01-04
Release date:2023-05-31
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Development of allosteric and selective CDK2 inhibitors for contraception with negative cooperativity to cyclin binding.
Nat Commun, 14, 2023
8FP0
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BU of 8fp0 by Molmil
Ternary complex of CDK2 with small molecule ligands TW8672 and Roscovitine
Descriptor: 1,2-ETHANEDIOL, 2-{[2-(1H-indol-3-yl)ethyl]amino}-5-nitrobenzoic acid, Cyclin-dependent kinase 2, ...
Authors:Schonbrunn, E, Sun, L.
Deposit date:2023-01-03
Release date:2023-05-31
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Development of allosteric and selective CDK2 inhibitors for contraception with negative cooperativity to cyclin binding.
Nat Commun, 14, 2023
8H4I
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BU of 8h4i by Molmil
DHA-bound FFAR4 in complex with Gs
Descriptor: DOCOSA-4,7,10,13,16,19-HEXAENOIC ACID, Free fatty acid receptor 4, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:He, Y, Yin, H.
Deposit date:2022-10-10
Release date:2023-06-21
Last modified:2023-08-09
Method:ELECTRON MICROSCOPY (3.06 Å)
Cite:Structural basis of omega-3 fatty acid receptor FFAR4 activation and G protein coupling selectivity.
Cell Res., 33, 2023
8H4L
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BU of 8h4l by Molmil
DHA-bound FFAR4 in complex with Gq
Descriptor: DOCOSA-4,7,10,13,16,19-HEXAENOIC ACID, Free fatty acid receptor 4, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:He, Y, Yin, H.
Deposit date:2022-10-10
Release date:2023-06-21
Last modified:2023-08-09
Method:ELECTRON MICROSCOPY (3.07 Å)
Cite:Structural basis of omega-3 fatty acid receptor FFAR4 activation and G protein coupling selectivity.
Cell Res., 33, 2023
8H4K
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BU of 8h4k by Molmil
GW9508-bound FFAR4 in complex with Gq
Descriptor: 3-(4-{[(3-phenoxyphenyl)methyl]amino}phenyl)propanoic acid, Free fatty acid receptor 4, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:He, Y, Yin, H.
Deposit date:2022-10-10
Release date:2023-06-21
Last modified:2023-08-09
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural basis of omega-3 fatty acid receptor FFAR4 activation and G protein coupling selectivity.
Cell Res., 33, 2023
7D4G
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BU of 7d4g by Molmil
A proof of concept for neutralizing antibody-guided vaccine design against SARS-CoV-2
Descriptor: Heavy chain of FC05 Fab, Light chain of FC05 Fab, Spike glycoprotein S1
Authors:Cao, L, Wang, X.
Deposit date:2020-09-23
Release date:2021-04-07
Last modified:2022-02-23
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:A proof of concept for neutralizing antibody-guided vaccine design against SARS-CoV-2.
Natl Sci Rev, 8, 2021
7DX4
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BU of 7dx4 by Molmil
The structure of FC08 Fab-hA.CE2-RBD complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Heavy chain of FC08 Fab, ...
Authors:Cao, L, Wang, X.
Deposit date:2021-01-18
Release date:2021-04-21
Last modified:2022-02-23
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:A proof of concept for neutralizing antibody-guided vaccine design against SARS-CoV-2.
Natl Sci Rev, 8, 2021
8IYS
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BU of 8iys by Molmil
TUG891-bound FFAR4 in complex with Gq
Descriptor: 3-{4-[(4-fluoro-4'-methyl[1,1'-biphenyl]-2-yl)methoxy]phenyl}propanoic acid, Free fatty acid receptor 4, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:He, Y, Yin, H.
Deposit date:2023-04-06
Release date:2023-06-21
Last modified:2023-08-16
Method:ELECTRON MICROSCOPY (2.95 Å)
Cite:Structural basis of omega-3 fatty acid receptor FFAR4 activation and G protein coupling selectivity.
Cell Res., 33, 2023
8IFO
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BU of 8ifo by Molmil
Crystal structure of estrogen related receptor-gamma DNA binding domain complexed with Pla2g12b promoter
Descriptor: DNA (5'-D(*GP*AP*GP*GP*AP*CP*AP*AP*AP*GP*GP*TP*GP*AP*AP*AP*C)-3'), DNA (5'-D(*GP*TP*TP*TP*CP*AP*CP*CP*TP*TP*TP*GP*TP*CP*CP*TP*C)-3'), Estrogen-related receptor gamma, ...
Authors:Xu, T, Zhen, X, Liu, J.
Deposit date:2023-02-19
Release date:2023-03-29
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:ERR gamma-DBD undergoes dimerization and conformational rearrangement upon binding to the downstream site of the DR1 element.
Biochem.Biophys.Res.Commun., 656, 2023
7DVB
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BU of 7dvb by Molmil
D335N variant of Bt4394 in complex with 6SO3-NAG-oxazoline intermediate
Descriptor: 2-acetamido-2-deoxy-6-O-sulfo-beta-D-glucopyranose, Beta-N-acetylhexosaminidase, [(3~{a}~{R},5~{R},6~{S},7~{R},7~{a}~{R})-2-methyl-6,7-bis(oxidanyl)-5,6,7,7~{a}-tetrahydro-3~{a}~{H}-pyrano[3,2-d][1,3]oxazol-1-ium-5-yl]methyl sulfate
Authors:Zhang, Z, He, Y, Jin, Y.
Deposit date:2021-01-13
Release date:2022-01-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Mechanistic and Structural Insights into the Specificity and Biological Functions of Bacterial Sulfoglycosidases
Acs Catalysis, 13, 2023
7DUP
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BU of 7dup by Molmil
Apo structure of wild type Bt4394, a GH20 family sulfoglycosidase
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-N-acetylhexosaminidase, CHLORIDE ION, ...
Authors:Zhang, Z, He, Y, Jin, Y.
Deposit date:2021-01-10
Release date:2022-01-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Mechanistic and Structural Insights into the Specificity and Biological Functions of Bacterial Sulfoglycosidases
Acs Catalysis, 13, 2023
7DVA
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BU of 7dva by Molmil
Structure of wild type Bt4394, a GH20 family sulfoglycosidase, in complex with 6S-GlcNAc
Descriptor: 2-acetamido-2-deoxy-6-O-sulfo-beta-D-glucopyranose, Beta-N-acetylhexosaminidase, GLYCEROL
Authors:Zhang, Z, He, Y, Jin, Y.
Deposit date:2021-01-13
Release date:2022-01-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Mechanistic and Structural Insights into the Specificity and Biological Functions of Bacterial Sulfoglycosidases
Acs Catalysis, 13, 2023
2MKX
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BU of 2mkx by Molmil
Solution structure of LysM the peptidoglycan binding domain of autolysin AtlA from Enterococcus faecalis
Descriptor: Autolysin
Authors:Baxter, N.J, Williamson, M.P.
Deposit date:2014-02-14
Release date:2014-06-18
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Molecular basis for bacterial peptidoglycan recognition by LysM domains.
Nat Commun, 5, 2014
7ENO
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BU of 7eno by Molmil
Mutant strain M3 of foot-and-mouth disease virus type O
Descriptor: VP1 of O type FMDV capsid, VP2 of O type FMDV capsid, VP3 of O type FMDV capsid, ...
Authors:Dong, H, Lu, Y.
Deposit date:2021-04-18
Release date:2021-06-02
Last modified:2022-01-26
Method:ELECTRON MICROSCOPY (3.15 Å)
Cite:A Heat-Induced Mutation on VP1 of Foot-and-Mouth Disease Virus Serotype O Enhanced Capsid Stability and Immunogenicity.
J.Virol., 95, 2021
7ENP
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BU of 7enp by Molmil
wild type of O type Foot-and-mouth disease virus
Descriptor: VP1 of O type FMDV capsid protein, VP2 of O type FMDV capsid protein, VP3 of O type FMDV capsid protein, ...
Authors:Dong, H, Lu, Y.
Deposit date:2021-04-18
Release date:2021-06-02
Last modified:2022-01-26
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:A Heat-Induced Mutation on VP1 of Foot-and-Mouth Disease Virus Serotype O Enhanced Capsid Stability and Immunogenicity.
J.Virol., 95, 2021
3R8B
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BU of 3r8b by Molmil
Crystal structure of Staphylococcal Enterotoxin B in complex with an affinity matured mouse TCR VBeta8.2 protein, G5-8
Descriptor: CHLORIDE ION, Enterotoxin type B, G5-8, ...
Authors:Bonsor, D.A, Sundberg, E.J.
Deposit date:2011-03-23
Release date:2011-04-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Molecular basis of a million-fold affinity maturation process in a protein-protein interaction.
J.Mol.Biol., 411, 2011
4MKI
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BU of 4mki by Molmil
Cobalt transporter ATP-binding subunit
Descriptor: DODECYL-BETA-D-MALTOSIDE, Energy-coupling factor transporter ATP-binding protein EcfA2, SULFATE ION
Authors:Yu, Y, Zhang, L, Chai, C.L, Heymann, D.
Deposit date:2013-09-05
Release date:2013-10-30
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis for a homodimeric ATPase subunit of an ECF transporter
Protein Cell, 4, 2013
6J8F
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BU of 6j8f by Molmil
Crystal structure of SVBP-VASH1 with peptide mimic the C-terminal of alpha-tubulin
Descriptor: 8-mer peptide, Small vasohibin-binding protein, Tubulinyl-Tyr carboxypeptidase 1
Authors:Liao, S, Gao, J, Xu, C, Structural Genomics Consortium (SGC)
Deposit date:2019-01-18
Release date:2019-06-19
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.283 Å)
Cite:Molecular basis of vasohibins-mediated detyrosination and its impact on spindle function and mitosis.
Cell Res., 29, 2019
6J8N
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BU of 6j8n by Molmil
Crystal structure of SVBP-VASH1 complex, mutation C169A of VASH1
Descriptor: Small vasohibin-binding protein, Tubulinyl-Tyr carboxypeptidase 1
Authors:Liao, S, Gao, J, Xu, C, Structural Genomics Consortium (SGC)
Deposit date:2019-01-20
Release date:2019-06-19
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Molecular basis of vasohibins-mediated detyrosination and its impact on spindle function and mitosis.
Cell Res., 29, 2019
6J9H
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BU of 6j9h by Molmil
Crystal structure of SVBP-VASH1 complex
Descriptor: Small vasohibin-binding protein, Tubulinyl-Tyr carboxypeptidase 1
Authors:Liao, S, Gao, J, Xu, C, Structural Genomics Consortium (SGC)
Deposit date:2019-01-22
Release date:2019-06-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Molecular basis of vasohibins-mediated detyrosination and its impact on spindle function and mitosis.
Cell Res., 29, 2019
6JOM
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BU of 6jom by Molmil
Crystal structure of lipoate protein ligase from Mycoplasma hyopneumoniae
Descriptor: 5'-O-[(R)-({5-[(3R)-1,2-DITHIOLAN-3-YL]PENTANOYL}OXY)(HYDROXY)PHOSPHORYL]ADENOSINE, Lipoate--protein ligase
Authors:Zhang, H, Chen, H, Ma, G.
Deposit date:2019-03-22
Release date:2020-03-25
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Functional Identification and Structural Analysis of a New Lipoate Protein Ligase inMycoplasma hyopneumoniae.
Front Cell Infect Microbiol, 10, 2020
6J91
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BU of 6j91 by Molmil
Structure of a hypothetical protease
Descriptor: Small vasohibin-binding protein, Tubulinyl-Tyr carboxypeptidase 1
Authors:Liao, S, Gao, J, Xu, C.
Deposit date:2019-01-21
Release date:2019-06-19
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Molecular basis of vasohibins-mediated detyrosination and its impact on spindle function and mitosis.
Cell Res., 29, 2019
6LI1
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BU of 6li1 by Molmil
Crystal structure of GPR52 ligand free form with flavodoxin fusion
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Chimera of G-protein coupled receptor 52 and Flavodoxin, DI(HYDROXYETHYL)ETHER, ...
Authors:Luo, Z.P, Lin, X, Xu, F, Han, G.W.
Deposit date:2019-12-10
Release date:2020-02-26
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis of ligand recognition and self-activation of orphan GPR52.
Nature, 579, 2020

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