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8IQD
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BU of 8iqd by Molmil
Crystal structure of AsfvPrimPol N-terminal Prim/Pol domain in complex with Mn2+ and dCTP
Descriptor: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, MANGANESE (II) ION, Putative primase C962R
Authors:Shao, Z.W, Gan, J.H.
Deposit date:2023-03-16
Release date:2023-07-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Structures and implications of the C962R protein of African swine fever virus.
Nucleic Acids Res., 51, 2023
8IK2
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BU of 8ik2 by Molmil
RhlA exhibits dual thioesterase and acyltransferase activities during rhamnolipid biosynthesis
Descriptor: (3~{S})-3-oxidanyldecanoic acid, 3-(3-hydroxydecanoyloxy)decanoate synthase
Authors:Tang, T, Fu, L.H, Xie, W.H, Luo, Y.Z, Zhang, Y.T, Si, T.
Deposit date:2023-02-28
Release date:2023-11-01
Method:X-RAY DIFFRACTION (2.151 Å)
Cite:RhlA Exhibits Dual Thioesterase and Acyltransferase Activities during Rhamnolipid Biosynthesis
Acs Catalysis, 13, 2023
7RRD
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BU of 7rrd by Molmil
IDO1 IN COMPLEX WITH COMPOUND S-1
Descriptor: 3-[4-(1H-benzimidazol-2-yl)phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide, Indoleamine 2,3-dioxygenase 1
Authors:Lesburg, C.A.
Deposit date:2021-08-09
Release date:2022-08-24
Method:X-RAY DIFFRACTION (2.76 Å)
Cite:Oxetane promise delivered: discovery of long acting IDO1 inhibitors suitable for Q3W oral or parenteral dosing
To Be Published
8IBV
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BU of 8ibv by Molmil
Cryo-EM structure of the motilin-bound motilin receptor-Gq protein complex
Descriptor: 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, Guanine nucleotide-binding protein G(q) subunit alpha, ...
Authors:Jiang, Y, Xu, H.E, You, C, Xu, Y.
Deposit date:2023-02-10
Release date:2023-04-12
Method:ELECTRON MICROSCOPY (3.19 Å)
Cite:Structural basis for motilin and erythromycin recognition by motilin receptor.
Sci Adv, 9, 2023
8IBU
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BU of 8ibu by Molmil
Cryo-EM structure of the erythromycin-bound motilin receptor-Gq protein complex
Descriptor: ERYTHROMYCIN A, 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:You, C, Jiang, Y, Xu, H.E, Xu, Y.
Deposit date:2023-02-10
Release date:2023-04-12
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.51 Å)
Cite:Structural basis for motilin and erythromycin recognition by motilin receptor.
Sci Adv, 9, 2023
3VF5
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BU of 3vf5 by Molmil
Crystal Structure of HIV-1 Protease Mutant I47V with novel P1'-Ligands GRL-02031
Descriptor: (3aS,5R,6aR)-hexahydro-2H-cyclopenta[b]furan-5-yl [(1S,2R)-1-benzyl-2-hydroxy-3-([(4-methoxyphenyl)sulfonyl]{[(2R)-5-oxopyrrolidin-2-yl]methyl}amino)propyl]carbamate, ACETATE ION, CHLORIDE ION, ...
Authors:Yu, X.X, Wang, Y.F, Chang, Y.C.E, Weber, I.T.
Deposit date:2012-01-09
Release date:2012-11-21
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Potent antiviral HIV-1 protease inhibitor GRL-02031 adapts to the structures of drug resistant mutants with its P1'-pyrrolidinone ring.
J.Med.Chem., 55, 2012
8IMX
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BU of 8imx by Molmil
Cryo-EM structure of GPI-T with a chimeric GPI-anchored protein
Descriptor: 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Xu, Y, Li, T, Qu, Q, Li, D.
Deposit date:2023-03-07
Release date:2023-08-16
Last modified:2023-11-01
Method:ELECTRON MICROSCOPY (2.85 Å)
Cite:Structures of liganded glycosylphosphatidylinositol transamidase illuminate GPI-AP biogenesis.
Nat Commun, 14, 2023
8IMY
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BU of 8imy by Molmil
Cryo-EM structure of GPI-T (inactive mutant) with GPI and proULBP2, a proprotein substrate
Descriptor: 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Li, T, Xu, Y, Qu, Q, Li, D.
Deposit date:2023-03-07
Release date:2023-08-16
Last modified:2023-11-01
Method:ELECTRON MICROSCOPY (3.22 Å)
Cite:Structures of liganded glycosylphosphatidylinositol transamidase illuminate GPI-AP biogenesis.
Nat Commun, 14, 2023
3VF7
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BU of 3vf7 by Molmil
Crystal Structure of HIV-1 Protease Mutant L76V with novel P1'-Ligands GRL-02031
Descriptor: (3aS,5R,6aR)-hexahydro-2H-cyclopenta[b]furan-5-yl [(1S,2R)-1-benzyl-2-hydroxy-3-([(4-methoxyphenyl)sulfonyl]{[(2R)-5-oxopyrrolidin-2-yl]methyl}amino)propyl]carbamate, CHLORIDE ION, GLYCEROL, ...
Authors:Yu, X.X, Wang, Y.F, Chang, Y.C.E, Weber, I.T.
Deposit date:2012-01-09
Release date:2012-11-21
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Potent antiviral HIV-1 protease inhibitor GRL-02031 adapts to the structures of drug resistant mutants with its P1'-pyrrolidinone ring.
J.Med.Chem., 55, 2012
3VFA
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BU of 3vfa by Molmil
Crystal Structure of HIV-1 Protease Mutant V82A with novel P1'-Ligands GRL-02031
Descriptor: (3aS,5R,6aR)-hexahydro-2H-cyclopenta[b]furan-5-yl [(1S,2R)-1-benzyl-2-hydroxy-3-([(4-methoxyphenyl)sulfonyl]{[(2R)-5-oxopyrrolidin-2-yl]methyl}amino)propyl]carbamate, CHLORIDE ION, SODIUM ION, ...
Authors:Yu, X.X, Wang, Y.F, Chang, Y.C.E, Weber, I.T.
Deposit date:2012-01-09
Release date:2012-11-21
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Potent antiviral HIV-1 protease inhibitor GRL-02031 adapts to the structures of drug resistant mutants with its P1'-pyrrolidinone ring.
J.Med.Chem., 55, 2012
3VFB
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BU of 3vfb by Molmil
Crystal Structure of HIV-1 Protease Mutant N88D with novel P1'-Ligands GRL-02031
Descriptor: (3aS,5R,6aR)-hexahydro-2H-cyclopenta[b]furan-5-yl [(1S,2R)-1-benzyl-2-hydroxy-3-([(4-methoxyphenyl)sulfonyl]{[(2R)-5-oxopyrrolidin-2-yl]methyl}amino)propyl]carbamate, CHLORIDE ION, GLYCEROL, ...
Authors:Yu, X.X, Wang, Y.F, Chang, Y.C.E, Weber, I.T.
Deposit date:2012-01-09
Release date:2012-11-21
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Potent antiviral HIV-1 protease inhibitor GRL-02031 adapts to the structures of drug resistant mutants with its P1'-pyrrolidinone ring.
J.Med.Chem., 55, 2012
8H3Z
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BU of 8h3z by Molmil
Crystal structure of the effector-binding domain of the LysR-type trasncription factor NtcB from Anabaena PCC 7120
Descriptor: IODIDE ION, NtcB
Authors:Han, S.J, Jiang, Y.L, Zhou, C.Z.
Deposit date:2022-10-09
Release date:2023-10-04
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:DNA looping mediates cooperative transcription activation.
Nat.Struct.Mol.Biol., 31, 2024
4ZJV
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BU of 4zjv by Molmil
crystal structure of EGFR kinase domain in complex with Mitogen-inducible gene 6 protein
Descriptor: ERBB receptor feedback inhibitor 1, Epidermal growth factor receptor
Authors:Eck, M.J, Park, E, Lee, B.
Deposit date:2015-04-29
Release date:2015-08-12
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure and mechanism of activity-based inhibition of the EGF receptor by Mig6.
Nat.Struct.Mol.Biol., 22, 2015
3VJE
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BU of 3vje by Molmil
Crystal structure of the Y248A mutant of C(30) carotenoid dehydrosqualene synthase from Staphylococcus aureus in complex with zaragozic acid A
Descriptor: Dehydrosqualene synthase, Zaragozic acid A
Authors:Liu, C.I, Jeng, W.Y, Chang, W.J, Wang, A.H.J.
Deposit date:2011-10-14
Release date:2012-04-11
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Binding modes of zaragozic acid A to human squalene synthase and staphylococcal dehydrosqualene synthase
J.Biol.Chem., 287, 2012
5HXF
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BU of 5hxf by Molmil
Crystal structure of 3C protease from a mild Human enterovirus 71 in complex with rupintrivir
Descriptor: 3C protease, 4-{2-(4-FLUORO-BENZYL)-6-METHYL-5-[(5-METHYL-ISOXAZOLE-3-CARBONYL)-AMINO]-4-OXO-HEPTANOYLAMINO}-5-(2-OXO-PYRROLIDIN-3-YL)-PENTANOIC ACID ETHYL ESTER, SULFATE ION
Authors:Li, B, Yuan, Z, Qin, L, Gu, L.
Deposit date:2016-01-30
Release date:2017-02-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Crystal structure of 3C protease from a mild Human enterovirus 71 in complex with rupintrivir
To Be Published
8IS5
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BU of 8is5 by Molmil
Structure of an Isocytosine specific deaminase Vcz with close state
Descriptor: Hydroxydechloroatrazine ethylaminohydrolase, SULFATE ION, ZINC ION
Authors:Guo, W.T, Li, X.J, Wu, B.X.
Deposit date:2023-03-20
Release date:2023-08-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural characterization of an isocytosine-specific deaminase VCZ reveals its application potential in the anti-cancer therapy.
Iscience, 26, 2023
8IS4
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BU of 8is4 by Molmil
Structure of an Isocytosine specific deaminase Vcz in complexed with 5-FU
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-FLUOROURACIL, GLYCEROL, ...
Authors:Guo, W.T, Li, X.J, Wu, B.X.
Deposit date:2023-03-20
Release date:2023-08-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural characterization of an isocytosine-specific deaminase VCZ reveals its application potential in the anti-cancer therapy.
Iscience, 26, 2023
3VJD
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BU of 3vjd by Molmil
Crystal structure of the Y248A mutant of C(30) carotenoid dehydrosqualene synthase from Staphylococcus aureus
Descriptor: Dehydrosqualene synthase, L(+)-TARTARIC ACID
Authors:Liu, C.I, Jeng, W.Y, Chang, W.J, Wang, A.H.J.
Deposit date:2011-10-14
Release date:2012-04-11
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Binding modes of zaragozic acid A to human squalene synthase and staphylococcal dehydrosqualene synthase
J.Biol.Chem., 287, 2012
4H2M
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BU of 4h2m by Molmil
Structure of E. coli undecaprenyl diphosphate synthase in complex with BPH-1408
Descriptor: 2,2'-{benzene-1,3-diylbis[ethyne-2,1-diyl(5-bromobenzene-3,1-diyl)]}diethanamine, Undecaprenyl pyrophosphate synthase
Authors:Zhu, W, Oldfield, E.
Deposit date:2012-09-12
Release date:2012-12-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Antibacterial drug leads targeting isoprenoid biosynthesis.
Proc.Natl.Acad.Sci.USA, 110, 2013
4Z0C
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BU of 4z0c by Molmil
Crystal structure of TLR13-ssRNA13 complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DNA (5'-R(P*AP*CP*GP*GP*AP*AP*AP*GP*AP*CP*CP*CP*C)-3'), ...
Authors:Song, W, Han, Z, Chai, J.
Deposit date:2015-03-26
Release date:2015-10-07
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis for specific recognition of single-stranded RNA by Toll-like receptor 13
Nat.Struct.Mol.Biol., 22, 2015
8HXB
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BU of 8hxb by Molmil
Cryo-EM structure of MPXV M2 hexamer in complex with human B7.2
Descriptor: NFkB inhibitor, T-lymphocyte activation antigen CD86
Authors:Wang, Y, Yang, S, Zhao, H, Deng, Z.
Deposit date:2023-01-04
Release date:2023-08-30
Last modified:2023-12-13
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Structural and functional insights into the modulation of T cell costimulation by monkeypox virus protein M2.
Nat Commun, 14, 2023
8HXC
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BU of 8hxc by Molmil
Cryo-EM structure of MPXV M2 heptamer in complex with human B7.2
Descriptor: NFkB inhibitor, T-lymphocyte activation antigen CD86
Authors:Wang, Y, Yang, S, Zhao, H, Deng, Z.
Deposit date:2023-01-04
Release date:2023-08-30
Last modified:2023-12-13
Method:ELECTRON MICROSCOPY (3.12 Å)
Cite:Structural and functional insights into the modulation of T cell costimulation by monkeypox virus protein M2.
Nat Commun, 14, 2023
8HXA
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BU of 8hxa by Molmil
Cryo-EM structure of MPXV M2 in complex with human B7.1
Descriptor: NFkB inhibitor, T-lymphocyte activation antigen CD80
Authors:Wang, Y, Yang, S, Zhao, H, Deng, Z.
Deposit date:2023-01-04
Release date:2023-08-30
Last modified:2023-12-13
Method:ELECTRON MICROSCOPY (3.04 Å)
Cite:Structural and functional insights into the modulation of T cell costimulation by monkeypox virus protein M2.
Nat Commun, 14, 2023
4PRJ
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BU of 4prj by Molmil
Aurora A kinase domain with compound 2 (N-[1-(3-cyanobenzyl)-1H-pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide)
Descriptor: Aurora kinase A, N-[1-(3-cyanobenzyl)-1H-pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide
Authors:Ultsch, M, Eigenbrot, C.
Deposit date:2014-03-05
Release date:2014-07-02
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Property- and structure-guided discovery of a tetrahydroindazole series of interleukin-2 inducible T-cell kinase inhibitors.
J.Med.Chem., 57, 2014
8IRL
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BU of 8irl by Molmil
Apo state of Arabidopsis AZG1 at pH 7.4
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Adenine/guanine permease AZG1
Authors:Xu, L, Guo, J.
Deposit date:2023-03-19
Release date:2024-01-17
Last modified:2024-02-07
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Structures and mechanisms of the Arabidopsis cytokinin transporter AZG1.
Nat.Plants, 10, 2024

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