7E0B
 
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4Z8M
 | | Crystal structure of the MAVS-TRAF6 complex | | Descriptor: | Peptide from Mitochondrial antiviral-signaling protein, TNF receptor-associated factor 6 | | Authors: | Shi, Z.B, Zhou, Z. | | Deposit date: | 2015-04-09 | | Release date: | 2015-09-23 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Structural Insights into Mitochondrial Antiviral Signaling Protein (MAVS)-Tumor Necrosis Factor Receptor-associated Factor 6 (TRAF6) Signaling
J.Biol.Chem., 290, 2015
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7PGO
 | | Crystal Structure of a Class D Carbapenemase_R250A | | Descriptor: | 1-BUTANOL, BROMIDE ION, Beta-lactamase | | Authors: | Zhou, Q, He, Y, Jin, Y. | | Deposit date: | 2021-08-15 | | Release date: | 2022-08-24 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | An Ion-Pair Induced Intermediate Complex Captured in Class D Carbapenemase Reveals Chloride Ion as a Janus Effector Modulating Activity
Acs Cent.Sci., 2023
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7PFN
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7PEH
 | | Crystal Structure of a Class D Carbapenemase | | Descriptor: | 1-BUTANOL, Beta-lactamase | | Authors: | Zhou, Q, He, Y, Jin, Y. | | Deposit date: | 2021-08-10 | | Release date: | 2022-08-24 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | An Ion-Pair Induced Intermediate Complex Captured in Class D Carbapenemase Reveals Chloride Ion as a Janus Effector Modulating Activity
Acs Cent.Sci., 2023
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7PEI
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7PEP
 | | Crystal Structure of a Class D Carbapenemase Complexed with Hydrolyzed Imipenem | | Descriptor: | (2R,4S)-2-[(1S,2R)-1-carboxy-2-hydroxypropyl]-4-[(2-{[(Z)-iminomethyl]amino}ethyl)sulfanyl]-3,4-dihydro-2H-pyrrole-5-ca rboxylic acid, 1-BUTANOL, BROMIDE ION, ... | | Authors: | Zhou, Q, He, Y, Jin, Y. | | Deposit date: | 2021-08-11 | | Release date: | 2022-08-24 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | An Ion-Pair Induced Intermediate Complex Captured in Class D Carbapenemase Reveals Chloride Ion as a Janus Effector Modulating Activity
Acs Cent.Sci., 2023
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7PSF
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7PSE
 | | Crystal Structure of a Class D Carbapenemase_K73ALY Complexed with Oxacillin | | Descriptor: | (2R,4S)-5,5-dimethyl-2-[(1R)-1-{[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]amino}-2-oxoethyl]-1,3-thiazolidine-4-carb oxylic acid, 1-BUTANOL, Beta-lactamase, ... | | Authors: | Zhou, Q, He, Y, Jin, Y. | | Deposit date: | 2021-09-23 | | Release date: | 2022-10-05 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.32 Å) | | Cite: | An Ion-Pair Induced Intermediate Complex Captured in Class D Carbapenemase Reveals Chloride Ion as a Janus Effector Modulating Activity
Acs Cent.Sci., 2023
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7Q14
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8KHU
 | | Hepatitis B virus core protein Y132A mutant in complex with THPP derivatives 48 | | Descriptor: | (6~{S},7~{R})-6,7-dimethyl-3-(2-oxidanylidenepyrrolidin-1-yl)-~{N}-[3,4,5-tris(fluoranyl)phenyl]-6,7-dihydro-4~{H}-pyrazolo[1,5-a]pyrazine-5-carboxamide, Capsid protein, GLYCEROL, ... | | Authors: | Zhou, Z, Xu, Z.H. | | Deposit date: | 2023-08-22 | | Release date: | 2023-10-25 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery of 4,5,6,7-Tetrahydropyrazolo[1.5-a]pyrizine Derivatives as Core Protein Allosteric Modulators (CpAMs) for the Inhibition of Hepatitis B Virus.
J.Med.Chem., 66, 2023
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8T6B
 | | Human VMAT2 in complex with serotonin | | Descriptor: | SEROTONIN, Synaptic vesicular amine transporter | | Authors: | Pidathala, S, Dai, Y, Lee, C.H. | | Deposit date: | 2023-06-15 | | Release date: | 2023-11-01 | | Last modified: | 2023-12-13 | | Method: | ELECTRON MICROSCOPY (3.72 Å) | | Cite: | Mechanisms of neurotransmitter transport and drug inhibition in human VMAT2.
Nature, 623, 2023
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8T69
 | | Human VMAT2 in complex with tetrabenazine | | Descriptor: | Synaptic vesicular amine transporter, tetrabenazine | | Authors: | Pidathala, S, Dai, Y, Lee, C.H. | | Deposit date: | 2023-06-15 | | Release date: | 2023-11-01 | | Last modified: | 2023-12-13 | | Method: | ELECTRON MICROSCOPY (2.89 Å) | | Cite: | Mechanisms of neurotransmitter transport and drug inhibition in human VMAT2.
Nature, 623, 2023
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8T6A
 | | Human VMAT2 in complex with reserpine | | Descriptor: | Synaptic vesicular amine transporter, reserpine | | Authors: | Pidathala, S, Dai, Y, Lee, C.H. | | Deposit date: | 2023-06-15 | | Release date: | 2023-11-01 | | Last modified: | 2023-12-13 | | Method: | ELECTRON MICROSCOPY (3.17 Å) | | Cite: | Mechanisms of neurotransmitter transport and drug inhibition in human VMAT2.
Nature, 623, 2023
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4WK8
 | | FOXP3 forms a domain-swapped dimer to bridge DNA | | Descriptor: | DNA (5'-D(*AP*AP*CP*TP*AP*TP*GP*AP*AP*AP*CP*AP*AP*AP*TP*TP*TP*TP*CP*CP*T)-3'), DNA (5'-D(*TP*TP*AP*GP*GP*AP*AP*AP*AP*TP*TP*TP*GP*TP*TP*TP*CP*AP*TP*AP*G)-3'), Forkhead box protein P3 | | Authors: | Chen, Y, Chen, L. | | Deposit date: | 2014-10-01 | | Release date: | 2015-01-21 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (3.4006 Å) | | Cite: | DNA binding by FOXP3 domain-swapped dimer suggests mechanisms of long-range chromosomal interactions.
Nucleic Acids Res., 43, 2015
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6VBN
 | | Crystal Structure of hTDO2 bound to inhibitor GNE1 | | Descriptor: | 1,5-anhydro-2,3-dideoxy-3-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-D-threo-pentitol, PROTOPORPHYRIN IX CONTAINING FE, Tryptophan 2,3-dioxygenase | | Authors: | Harris, S.F, Oh, A. | | Deposit date: | 2019-12-19 | | Release date: | 2020-05-06 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.18 Å) | | Cite: | Implementation of the CYP Index for the Design of Selective Tryptophan-2,3-dioxygenase Inhibitors.
Acs Med.Chem.Lett., 11, 2020
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4TZR
 | | Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1561 | | Descriptor: | 1-{4-amino-3-[2-(cyclopropyloxy)quinolin-6-yl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}-2-methylpropan-2-ol, Calmodulin-domain protein kinase 1 | | Authors: | Merritt, E.A. | | Deposit date: | 2014-07-10 | | Release date: | 2014-08-27 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Development of an Orally Available and Central Nervous System (CNS) Penetrant Toxoplasma gondii Calcium-Dependent Protein Kinase 1 (TgCDPK1) Inhibitor with Minimal Human Ether-a-go-go-Related Gene (hERG) Activity for the Treatment of Toxoplasmosis.
J. Med. Chem., 59, 2016
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7EBK
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8HZQ
 | | Bacillus subtilis SepF protein assembly (wild type) | | Descriptor: | Cell division protein SepF | | Authors: | Liu, W. | | Deposit date: | 2023-01-09 | | Release date: | 2024-02-14 | | Last modified: | 2024-05-15 | | Method: | SOLID-STATE NMR | | Cite: | Molecular basis for curvature formation in SepF polymerization.
Proc.Natl.Acad.Sci.USA, 121, 2024
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8HZT
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6PWB
 | | Rigid body fitting of flagellin FlaB, and flagellar coiling proteins, FcpA and FcpB, into a 10 Angstrom structure of the asymmetric flagellar filament purified from Leptospira biflexa Patoc WT cells resolved via subtomogram averaging | | Descriptor: | Flagellar coiling protein A (FcpA), Flagellar coiling protein B (FcpB), Flagellin B1 (FlaB1) | | Authors: | Gibson, K.H, Sindelar, C.V, Trajtenberg, F, Buschiazzo, A, San Martin, F, Mechaly, A. | | Deposit date: | 2019-07-22 | | Release date: | 2020-03-25 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (9.83 Å) | | Cite: | An asymmetric sheath controls flagellar supercoiling and motility in the leptospira spirochete.
Elife, 9, 2020
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4XMP
 | | Crystal structure of broadly and potently neutralizing antibody VRC08 in complex with HIV-1 clade A strain Q842.d12 gp120 | | Descriptor: | (R,R)-2,3-BUTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp160,Envelope glycoprotein gp160,Envelope glycoprotein gp160, ... | | Authors: | Zhou, T, Srivatsan, S, Kwong, P.D. | | Deposit date: | 2015-01-15 | | Release date: | 2015-04-29 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.7831 Å) | | Cite: | Maturation and Diversity of the VRC01-Antibody Lineage over 15 Years of Chronic HIV-1 Infection.
Cell, 161, 2015
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4XVS
 | | Crystal structure of HIV-1 donor 45 d45-01dG5 coreE gp120 with antibody 45-VRC01.H01+07.O-863513/45-VRC01.L01+07.O-110653 (VRC07_1995) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 45-VRC01.H01+07.O-863513/45-VRC01.L01+07.O-110653 Light chain, Donor 45 01dG5 coreE gp120, ... | | Authors: | Joyce, M.G, Mascola, J.R, Kwong, P.D. | | Deposit date: | 2015-01-27 | | Release date: | 2015-05-06 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Maturation and Diversity of the VRC01-Antibody Lineage over 15 Years of Chronic HIV-1 Infection.
Cell, 161, 2015
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4XNZ
 | | Crystal structure of broadly and potently neutralizing antibody VRC06B in complex with HIV-1 clade A/E strain 93TH057 gp120 | | 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, Envelope glycoprotein gp160,Envelope glycoprotein gp160, ... | | Authors: | Zhou, T, Srivatsan, S, Kwong, P.D. | | Deposit date: | 2015-01-16 | | Release date: | 2015-04-29 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.389 Å) | | Cite: | Maturation and Diversity of the VRC01-Antibody Lineage over 15 Years of Chronic HIV-1 Infection.
Cell, 161, 2015
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4XNY
 | | Crystal structure of broadly and potently neutralizing antibody VRC08C in complex with HIV-1 clade A strain Q842.d12 gp120 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp160,Envelope glycoprotein gp160,Envelope glycoprotein gp160, HEAVY CHAIN OF ANTIBODY VRC08C, ... | | Authors: | Zhou, T, Srivatsan, S, Kwong, P.D. | | Deposit date: | 2015-01-16 | | Release date: | 2015-04-29 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Maturation and Diversity of the VRC01-Antibody Lineage over 15 Years of Chronic HIV-1 Infection.
Cell, 161, 2015
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