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6LD2
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BU of 6ld2 by Molmil
Zika NS5 polymerase domain
Descriptor: (1S,2S,4S,5R)-2,4-dimethoxy-5-thiophen-2-yl-cyclohexane-1-carboxylic acid, RNA-directed RNA polymerase NS5, ZINC ION
Authors:El Sahili, A, Lescar, J.
Deposit date:2019-11-20
Release date:2020-08-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Non-nucleoside Inhibitors of Zika Virus RNA-Dependent RNA Polymerase.
J.Virol., 94, 2020
2I58
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BU of 2i58 by Molmil
Crystal Structure of RafE from Streptococcus pneumoniae complexed with raffinose
Descriptor: CHLORIDE ION, Sugar ABC transporter, sugar-binding protein, ...
Authors:Paterson, N.G, Riboldi-Tunnicliffe, A, Mitchell, T.J, Isaacs, N.W.
Deposit date:2006-08-24
Release date:2007-08-07
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of apo and bound forms of RafE from Streptococcus pneumoniae
To be Published
2I5S
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BU of 2i5s by Molmil
Crystal structure of onconase with bound nucleic acid
Descriptor: 5'-D(*A*(DU)P*GP*A)-3', P-30 protein
Authors:Bae, E, Lee, J.E, Raines, R.T, Wesenberg, G.E, Phillips Jr, G.N, Bitto, E, Bingman, C.A, Center for Eukaryotic Structural Genomics (CESG)
Deposit date:2006-08-25
Release date:2006-09-05
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis for catalysis by onconase.
J.Mol.Biol., 375, 2008
6LDL
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BU of 6ldl by Molmil
Crystal structure of CYP116B46-N(20-445) from Tepidiphilus thermophilus in complex with HEME
Descriptor: BICINE, Cytochrome P450, GLYCEROL, ...
Authors:Zhang, L.L, Xie, Z.Z, Huang, J.W, Liu, W.D, Chen, C.C, Guo, R.T.
Deposit date:2019-11-21
Release date:2020-10-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Structural insight into the electron transfer pathway of a self-sufficient P450 monooxygenase.
Nat Commun, 11, 2020
6LDR
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BU of 6ldr by Molmil
Structure of a K245A mutant of a Group II PLP dependent decarboxylase from Methanocaldococcus jannaschii, in complex with PLP
Descriptor: AMMONIUM ION, GLYCEROL, L-tyrosine/L-aspartate decarboxylase, ...
Authors:Manoj, N, Gayathri, S.C.
Deposit date:2019-11-23
Release date:2020-12-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Structural insights into the mechanism of internal aldimine formation and catalytic loop dynamics in an archaeal Group II decarboxylase.
J.Struct.Biol., 208, 2019
6KPR
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BU of 6kpr by Molmil
Quadruple mutant (N51I+C59R+S108N+I164L) plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with B12155 inhibitor
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 4-[3-[3-[2,6-bis(azanyl)-5-(3-chlorophenyl)pyrimidin-4-yl]propoxy]phenoxy]butanoic acid, Bifunctional dihydrofolate reductase-thymidylate synthase, ...
Authors:Vanichtanankul, J, Vitsupakorn, D.
Deposit date:2019-08-15
Release date:2019-12-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:6-Hydrophobic aromatic substituent pyrimethamine analogues as potential antimalarials for pyrimethamine-resistant Plasmodium falciparum.
Bioorg.Med.Chem., 27, 2019
2I5W
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BU of 2i5w by Molmil
Structure of hOGG1 crosslinked to DNA sampling a normal G adjacent to an oxoG
Descriptor: 5'-D(*GP*GP*TP*AP*GP*AP*CP*CP*TP*GP*GP*A)-3', 5'-D(P*CP*CP*AP*GP*(G42)P*TP*CP*TP*AP*C)-3', CALCIUM ION, ...
Authors:Banerjee, A, Verdine, G.L.
Deposit date:2006-08-26
Release date:2006-10-17
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A nucleobase lesion remodels the interaction of its normal neighbor in a DNA glycosylase complex.
Proc.Natl.Acad.Sci.Usa, 103, 2006
6KQI
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BU of 6kqi by Molmil
Structure of an allosteric modulator bound to the CB1 cannabinoid receptor
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-[(1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-5-(2-methyloctan-2-yl)phenol, 5-chloro-3-ethyl-N-{2-[4-(piperidin-1-yl)phenyl]ethyl}-1H-indole-2-carboxamide, ...
Authors:Shao, Z.H, Yan, W.
Deposit date:2019-08-17
Release date:2019-10-23
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (3.245 Å)
Cite:Structure of an allosteric modulator bound to the CB1 cannabinoid receptor.
Nat.Chem.Biol., 15, 2019
6KQK
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BU of 6kqk by Molmil
323 K cryoEM structure of Sso-KARI in complex with Mg2+, NADH and CPD
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Ketol-acid reductoisomerase, MAGNESIUM ION, ...
Authors:Chen, C.Y, Chang, Y.C, Lin, B.L, Huang, C.H, Tsai, M.D.
Deposit date:2019-08-18
Release date:2020-03-25
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (2.17 Å)
Cite:Temperature-Resolved Cryo-EM Uncovers Structural Bases of Temperature-Dependent Enzyme Functions.
J.Am.Chem.Soc., 141, 2019
6LDX
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BU of 6ldx by Molmil
Structure antibody E6 in complex with methylated peptide
Descriptor: CHLORIDE ION, Fab Heavy chain, Fab light chain, ...
Authors:Caaveiro, J.M.M, Tsumoto, K.
Deposit date:2019-11-23
Release date:2020-11-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis for antigen recognition by methylated lysine-specific antibodies.
J.Biol.Chem., 296, 2020
6LEA
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BU of 6lea by Molmil
Structure of FliS chaperone in complex with flagellin and HP1076
Descriptor: Flagellar secretion chaperone FliS, Flagellin, Uncharacterized protein HP_1076
Authors:Au, S.W, Lam, W.W.
Deposit date:2019-11-25
Release date:2020-05-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Structure of FliS in complex with flagellin and HP1076
To Be Published
6KRB
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BU of 6krb by Molmil
High resolution crystal structure of an Acylphosphatase protein cage
Descriptor: Acylphosphatase, GLYCEROL, SULFATE ION
Authors:Chatterjee, S, Nath, S, Sen, U.
Deposit date:2019-08-21
Release date:2020-05-13
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.375 Å)
Cite:High resolution structure of Vibrio cholerae acylphosphatase (VcAcP) cage: Identification of drugs, location of its binding site and engineering to facilitate cage formation.
Biochem.Biophys.Res.Commun., 523, 2020
6KRV
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BU of 6krv by Molmil
Crystal structure of mouse IgG2b Fc complexed with B domain of Protein A
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Ig gamma-2B chain C region, ...
Authors:Taniguchi, Y, Satoh, T, Yagi, H, Kato, K.
Deposit date:2019-08-22
Release date:2020-01-22
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:On-Membrane Dynamic Interplay between Anti-GM1 IgG Antibodies and Complement Component C1q.
Int J Mol Sci, 21, 2019
6LEM
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BU of 6lem by Molmil
Structure of E. coli beta-glucuronidase complex with C6-nonyl uronic isofagomine
Descriptor: (2~{S},3~{S},4~{R},5~{R})-2-nonyl-4,5-bis(oxidanyl)piperidine-3-carboxylic acid, Beta-D-glucuronidase
Authors:Lin, H.-Y, Kuo, Y.-H, Lin, C.-H.
Deposit date:2019-11-25
Release date:2021-01-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.188 Å)
Cite:Entropy-driven binding of gut bacterial beta-glucuronidase inhibitors ameliorates irinotecan-induced toxicity.
Commun Biol, 4, 2021
6KS6
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BU of 6ks6 by Molmil
TRiC at 0.2 mM ADP-AlFx, Conformation 1, 0.2-C1
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, MAGNESIUM ION, ...
Authors:Jin, M, Cong, Y.
Deposit date:2019-08-23
Release date:2019-09-18
Last modified:2025-06-25
Method:ELECTRON MICROSCOPY (2.99 Å)
Cite:An ensemble of cryo-EM structures of TRiC reveal its conformational landscape and subunit specificity.
Proc.Natl.Acad.Sci.USA, 116, 2019
6KUW
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BU of 6kuw by Molmil
Crystal structure of human alpha2C adrenergic G protein-coupled receptor.
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (8~{a}~{R},12~{a}~{S},13~{a}~{R})-12-ethylsulfonyl-3-methoxy-5,6,8,8~{a},9,10,11,12~{a},13,13~{a}-decahydroisoquinolino[2,1-g][1,6]naphthyridine, Alpha-2C adrenergic receptor, ...
Authors:Chen, X.Y, Wu, L.J, Wu, D, Zhong, G.S.
Deposit date:2019-09-02
Release date:2019-12-04
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of human alpha2C adrenergic G protein-coupled receptor.
To Be Published
2HZ4
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BU of 2hz4 by Molmil
Abl kinase domain unligated and in complex with tetrahydrostaurosporine
Descriptor: 1,2,3,4-TETRAHYDROGEN-STAUROSPORINE, Proto-oncogene tyrosine-protein kinase ABL1
Authors:Cowan-Jacob, S.W, Fendrich, G, Liebetanz, J, Fabbro, D, Manley, P.
Deposit date:2006-08-08
Release date:2007-01-16
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural biology contributions to the discovery of drugs to treat chronic myelogenous leukaemia.
ACTA CRYSTALLOGR.,SECT.D, 63, 2007
6KVF
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BU of 6kvf by Molmil
Structure of anti-hCXCR2 abN48 in complex with its CXCR2 epitope
Descriptor: Peptide from C-X-C chemokine receptor type 2, heavy chain, light chain
Authors:Xiang, J.C, Yan, L, Yang, B, Wilson, I.A.
Deposit date:2019-09-04
Release date:2020-09-09
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Selection of a picomolar antibody that targets CXCR2-mediated neutrophil activation and alleviates EAE symptoms.
Nat Commun, 12, 2021
6LFH
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BU of 6lfh by Molmil
X-ray crystal structure of chemically synthesized human lysozyme
Descriptor: CHLORIDE ION, Lysozyme C, SODIUM ION
Authors:Kar, A, Das, A, Mandal, K.
Deposit date:2019-12-02
Release date:2020-07-08
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Efficient Chemical Protein Synthesis using Fmoc-Masked N-Terminal Cysteine in Peptide Thioester Segments.
Angew.Chem.Int.Ed.Engl., 59, 2020
6KVW
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BU of 6kvw by Molmil
The complex structure of EanB/C339A/C370A and hercynine
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ...
Authors:Wu, L, Liu, P.H, Zhou, J.H.
Deposit date:2019-09-05
Release date:2020-09-09
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:The complex structure of EanB/C339A/C370A and hercynine
To Be Published
6KWG
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BU of 6kwg by Molmil
Crystal Structure Analysis of Endo-beta-1,4-xylanase II Complexed with Xylotriose
Descriptor: Endo-1,4-beta-xylanase 2, IODIDE ION, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose
Authors:Li, C, Wan, Q.
Deposit date:2019-09-06
Release date:2020-12-30
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.694 Å)
Cite:Studying the Role of a Single Mutation of a Family 11 Glycoside Hydrolase Using High-Resolution X-ray Crystallography.
Protein J., 39, 2020
6KWQ
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BU of 6kwq by Molmil
Crystal structure of enterovirus 71 polymerase elongation complex (native form)
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, MAGNESIUM ION, ...
Authors:Shi, W, Gong, P.
Deposit date:2019-09-08
Release date:2019-12-11
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:A nucleobase-binding pocket in a viral RNA-dependent RNA polymerase contributes to elongation complex stability.
Nucleic Acids Res., 48, 2020
6KX6
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BU of 6kx6 by Molmil
Crystal structure of mouse Cryptochrome 1 in complex with KL101 compound
Descriptor: Cryptochrome-1, ~{N}-[2-(2,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3,4-dimethyl-benzamide
Authors:Miller, S.A, Aikawa, Y, Hirota, T.
Deposit date:2019-09-10
Release date:2020-04-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Isoform-selective regulation of mammalian cryptochromes.
Nat.Chem.Biol., 16, 2020
6LFT
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BU of 6lft by Molmil
Poa1p S30A mutant in complex with ADP-ribose
Descriptor: ACETATE ION, ADENOSINE-5-DIPHOSPHORIBOSE, ADP-ribose 1''-phosphate phosphatase
Authors:Chiu, Y.C, Hsu, C.H.
Deposit date:2019-12-03
Release date:2020-12-09
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Expanding the Substrate Specificity of Macro Domains toward 3''-Isomer of O-Acetyl-ADP-ribose
Acs Catalysis, 11, 2021
6LG3
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BU of 6lg3 by Molmil
Crystal structure of a bacterial toxin from Mycobacterium tuberculosis
Descriptor: PhiRv1 phage protein
Authors:Zhou, J, Jiang, Y, Luo, Z, Yin, L.
Deposit date:2019-12-04
Release date:2020-11-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.90057254 Å)
Cite:Mycobacterial EST12 activates a RACK1-NLRP3-gasdermin D pyroptosis-IL-1 beta immune pathway.
Sci Adv, 6, 2020

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数据于2025-07-09公开中

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