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5ZLL
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BU of 5zll by Molmil
Mutation in the trinuclear site of CotA-laccase: H493C mutant, PH 8.0
Descriptor: 1,2-ETHANEDIOL, COPPER (II) ION, GLYCEROL, ...
Authors:Xie, T, Liu, Z.C, Wang, G.G.
Deposit date:2018-03-28
Release date:2018-05-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural Insight into the Allosteric Coupling of Cu1 Site and Trinuclear Cu Cluster in CotA Laccase.
Chembiochem, 19, 2018
5ZLJ
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BU of 5zlj by Molmil
Crystal structure of CotA native enzyme, PH8.0
Descriptor: 1,2-ETHANEDIOL, COPPER (II) ION, GLYCEROL, ...
Authors:Xie, T, Liu, Z.C, Wang, G.G.
Deposit date:2018-03-28
Release date:2018-05-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Structural Insight into the Allosteric Coupling of Cu1 Site and Trinuclear Cu Cluster in CotA Laccase.
Chembiochem, 19, 2018
7JVE
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BU of 7jve by Molmil
Crystal structure of Salmonella enterica Typhimurium BcfH
Descriptor: 1,2-ETHANEDIOL, DsbA family protein, MAGNESIUM ION, ...
Authors:Subedi, P, Heras, B, Hor, L, Paxman, J.J.
Deposit date:2020-08-21
Release date:2021-04-21
Last modified:2021-06-23
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Salmonella enterica BcfH Is a Trimeric Thioredoxin-Like Bifunctional Enzyme with Both Thiol Oxidase and Disulfide Isomerase Activities.
Antioxid.Redox Signal., 35, 2021
6K0Y
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BU of 6k0y by Molmil
Study of the interactions of a novel monoclonal antibody, mAb059c, with the hPD-1 receptor
Descriptor: 1,2-ETHANEDIOL, Antibody Heavy Chain, Antibody Light Chain, ...
Authors:Liu, J.X, Wang, G.Q.
Deposit date:2019-05-08
Release date:2019-12-11
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Study of the interactions of a novel monoclonal antibody, mAb059c, with the hPD-1 receptor.
Sci Rep, 9, 2019
7JYD
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BU of 7jyd by Molmil
Human Liver Receptor Homolog-1 in Complex with 10CA and a Fragment of Tif2
Descriptor: 10-[(3aR,6R,6aR)-6-hydroxy-3-phenyl-3a-(1-phenylethenyl)-1,3a,4,5,6,6a-hexahydropentalen-2-yl]decanoic acid, Nuclear receptor coactivator 2, Nuclear receptor subfamily 5 group A member 2
Authors:D'Agostino, E.H, Mays, S.G, Ortlund, E.A.
Deposit date:2020-08-30
Release date:2022-03-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Tapping into a phospholipid-LRH-1 axis yields a powerful anti-inflammatory agent with in vivo activity against colitis
To Be Published
7JYE
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BU of 7jye by Molmil
Human Liver Receptor Homolog-1 in Complex with 9ChoP and a Fragment of Tif2
Descriptor: 9-[(3~{a}~{R},6~{R},6~{a}~{R})-6-oxidanyl-3-phenyl-3~{a}-(1-phenylethenyl)-4,5,6,6~{a}-tetrahydro-1~{H}-pentalen-2-yl]nonyl 2-(trimethyl-$l^{4}-azanyl)ethyl hydrogen phosphate, Nuclear receptor coactivator 2, Nuclear receptor subfamily 5 group A member 2
Authors:D'Agostino, E.H, Mays, S.G, Ortlund, E.A.
Deposit date:2020-08-30
Release date:2022-03-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.551 Å)
Cite:Tapping into a phospholipid-LRH-1 axis yields a powerful anti-inflammatory agent with in vivo activity against colitis
To Be Published
7L7C
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BU of 7l7c by Molmil
Crystal Structure of EcDsbA in a complex with 2-(6-(3-Methoxyphenyl)benzofuran-3-yl)acetic acid
Descriptor: COPPER (II) ION, Thiol:disulfide interchange protein DsbA, [6-(3-methoxyphenyl)-1-benzofuran-3-yl]acetic acid
Authors:Ilyichova, O.V, Scanlon, M.J.
Deposit date:2020-12-28
Release date:2021-08-11
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Elaboration of a benzofuran scaffold and evaluation of binding affinity and inhibition of Escherichia coli DsbA: A fragment-based drug design approach to novel antivirulence compounds.
Bioorg.Med.Chem., 45, 2021
7L76
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BU of 7l76 by Molmil
Crystal Structure of EcDsbA in a complex with 2-(6-Phenylbenzofuran-3-yl)acetic acid
Descriptor: (6-phenyl-1-benzofuran-3-yl)acetic acid, COPPER (II) ION, Thiol:disulfide interchange protein DsbA
Authors:Ilyichova, O.V, Scanlon, M.J.
Deposit date:2020-12-26
Release date:2021-08-11
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Elaboration of a benzofuran scaffold and evaluation of binding affinity and inhibition of Escherichia coli DsbA: A fragment-based drug design approach to novel antivirulence compounds.
Bioorg.Med.Chem., 45, 2021
7LHP
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BU of 7lhp by Molmil
Crystal Structure of EcDsbA in a complex with methyl 2-(6-bromo-2-phenylbenzofuran-3-yl)acetate
Descriptor: (6-bromo-2-phenyl-1-benzofuran-3-yl)acetic acid, COPPER (II) ION, Thiol:disulfide interchange protein DsbA
Authors:Ilyichova, O.V, Scanlon, M.J.
Deposit date:2021-01-26
Release date:2021-08-11
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Elaboration of a benzofuran scaffold and evaluation of binding affinity and inhibition of Escherichia coli DsbA: A fragment-based drug design approach to novel antivirulence compounds.
Bioorg.Med.Chem., 45, 2021
7MW3
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BU of 7mw3 by Molmil
Structure of the SARS-CoV-2 Spike trimer with two RBDs down in complex with the Fab fragment of human neutralizing antibody clone 6
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Hu, Y, Xiong, Y.
Deposit date:2021-05-15
Release date:2022-03-16
Last modified:2023-11-01
Method:ELECTRON MICROSCOPY (3.15 Å)
Cite:Monospecific and bispecific monoclonal SARS-CoV-2 neutralizing antibodies that maintain potency against B.1.617.
Nat Commun, 13, 2022
7MW4
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BU of 7mw4 by Molmil
Structure of the SARS-CoV-2 Spike trimer with one RBD down in complex with the Fab fragment of human neutralizing antibody clone 6
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Hu, Y, Xiong, Y.
Deposit date:2021-05-15
Release date:2022-03-16
Last modified:2023-11-01
Method:ELECTRON MICROSCOPY (3.42 Å)
Cite:Monospecific and bispecific monoclonal SARS-CoV-2 neutralizing antibodies that maintain potency against B.1.617.
Nat Commun, 13, 2022
7MW5
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BU of 7mw5 by Molmil
Structure of the SARS-CoV-2 Spike trimer with one RBD down in complex with the Fab fragment of human neutralizing antibody clone 2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fab of antibody clone 2, ...
Authors:Hu, Y, Xiong, Y.
Deposit date:2021-05-15
Release date:2022-03-16
Last modified:2023-11-01
Method:ELECTRON MICROSCOPY (3.42 Å)
Cite:Monospecific and bispecific monoclonal SARS-CoV-2 neutralizing antibodies that maintain potency against B.1.617.
Nat Commun, 13, 2022
7MW6
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BU of 7mw6 by Molmil
Structure of the SARS-CoV-2 Spike trimer with three RBDs up in complex with the Fab fragment of human neutralizing antibody clone 2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Hu, Y, Xiong, Y.
Deposit date:2021-05-15
Release date:2022-03-16
Last modified:2023-11-01
Method:ELECTRON MICROSCOPY (3.22 Å)
Cite:Monospecific and bispecific monoclonal SARS-CoV-2 neutralizing antibodies that maintain potency against B.1.617.
Nat Commun, 13, 2022
7MW2
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BU of 7mw2 by Molmil
Structure of the SARS-CoV-2 Spike trimer with all RBDs down in complex with the Fab fragment of human neutralizing antibody clone 6
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fab of antibody clone 6, ...
Authors:Hu, Y, Xiong, Y.
Deposit date:2021-05-15
Release date:2022-03-16
Last modified:2023-11-01
Method:ELECTRON MICROSCOPY (2.97 Å)
Cite:Monospecific and bispecific monoclonal SARS-CoV-2 neutralizing antibodies that maintain potency against B.1.617.
Nat Commun, 13, 2022
5HS2
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BU of 5hs2 by Molmil
Crystal structure of IspD complexed with CTP and Mg2+ from Bacillus subtilis at 1.90 Angstroms resolution
Descriptor: 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase, CYTIDINE-5'-TRIPHOSPHATE, MAGNESIUM ION
Authors:Jin, Y, Liu, Z.C, Wang, G.G.
Deposit date:2016-01-24
Release date:2016-11-23
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A structural and functional study on the 2-C-methyl-d-erythritol-4-phosphate cytidyltransferase (IspD) from Bacillus subtilis.
Sci Rep, 6, 2016
1O2F
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BU of 1o2f by Molmil
COMPLEX OF ENZYME IIAGLC AND IIBGLC PHOSPHOCARRIER PROTEIN HPR FROM ESCHERICHIA COLI NMR, RESTRAINED REGULARIZED MEAN STRUCTURE
Descriptor: PHOSPHITE ION, PTS system, glucose-specific IIA component, ...
Authors:Clore, G.M, Cai, M, Williams, D.C.
Deposit date:2003-03-11
Release date:2003-05-13
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Solution Structure of the Phosphoryl Transfer Complex between the Signal-transducing Protein IIAGlucose and the Cytoplasmic Domain of the Glucose Transporter IICBGlucose of the Escherichia coli Glucose Phosphotransferase System.
J.Biol.Chem., 278, 2003
7VUN
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BU of 7vun by Molmil
Design, modification, evaluation and cocrystal studies of novel phthalimides regulating PD-1/PD-L1 interaction
Descriptor: (2~{S},3~{S})-2-[[6-[(3-cyanophenyl)methoxy]-2-(2-methyl-3-phenyl-phenyl)-1,3-bis(oxidanylidene)isoindol-5-yl]methylamino]-3-oxidanyl-butanoic acid, Programmed cell death 1 ligand 1
Authors:Cheng, Y, Sun, C.L, Chen, M.R, Yang, P, Xiao, Y.B.
Deposit date:2021-11-03
Release date:2022-09-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.701 Å)
Cite:Novel phthalimides regulating PD-1/PD-L1 interaction as potential immunotherapy agents.
Acta Pharm Sin B, 12, 2022
3EIR
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BU of 3eir by Molmil
Crystal structure of CHBP, a Cif Homologue from Burkholderia pseudomallei
Descriptor: Putative ATP/GTP binding protein
Authors:Yao, Q, Zhu, Y, Shao, F.
Deposit date:2008-09-17
Release date:2009-02-03
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.101 Å)
Cite:A bacterial type III effector family uses the papain-like hydrolytic activity to arrest the host cell cycle
Proc.Natl.Acad.Sci.USA, 106, 2009
3EIT
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BU of 3eit by Molmil
the 2.6 angstrom crystal structure of CHBP, the Cif Homologue from Burkholderia pseudomallei
Descriptor: Putative ATP/GTP binding protein
Authors:Yao, Q, Zhu, Y, Shao, F.
Deposit date:2008-09-17
Release date:2009-02-03
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:A bacterial type III effector family uses the papain-like hydrolytic activity to arrest the host cell cycle
Proc.Natl.Acad.Sci.USA, 106, 2009
1T03
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BU of 1t03 by Molmil
HIV-1 reverse transcriptase crosslinked to tenofovir terminated template-primer (complex P)
Descriptor: MAGNESIUM ION, POL polyprotein, Synthetic oligonucleotide primer, ...
Authors:Tuske, S, Sarafianos, S.G, Ding, J, Arnold, E.
Deposit date:2004-04-07
Release date:2004-05-11
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structure of HIV-1 RT-DNA complexes before and after incorporation of the anti-AIDS drug tenofovir
Nat.Struct.Mol.Biol., 11, 2004
1T05
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BU of 1t05 by Molmil
HIV-1 reverse transcriptase crosslinked to template-primer with tenofovir-diphosphate bound as the incoming nucleotide substrate
Descriptor: GLYCEROL, MAGNESIUM ION, POL polyprotein, ...
Authors:Tuske, S, Sarafianos, S.G, Ding, J, Arnold, E.
Deposit date:2004-04-07
Release date:2004-05-11
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structures of HIV-1 RT-DNA complexes before and after incorporation of the anti-AIDS drug tenofovir
Nat.Struct.Mol.Biol., 11, 2004
6JDS
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BU of 6jds by Molmil
Crystal structure of truncated PRRSV nsp10 (helicase)
Descriptor: PP1b, ZINC ION
Authors:Tang, C, Chen, Z.
Deposit date:2019-02-02
Release date:2020-02-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Helicase of Type 2 Porcine Reproductive and Respiratory Syndrome Virus Strain HV Reveals a Unique Structure.
Viruses, 12, 2020
6JDU
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BU of 6jdu by Molmil
Crystal structure of PRRSV nsp10 (helicase)
Descriptor: CALCIUM ION, PP1b, ZINC ION
Authors:Tang, C, Chen, Z.
Deposit date:2019-02-02
Release date:2020-02-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Helicase of Type 2 Porcine Reproductive and Respiratory Syndrome Virus Strain HV Reveals a Unique Structure.
Viruses, 12, 2020
8JNI
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BU of 8jni by Molmil
Structure of AE2 in complex with PIP2
Descriptor: Anion exchange protein 2, CHLORIDE ION, [(2R)-1-octadecanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phospho ryl]oxy-propan-2-yl] (8Z)-icosa-5,8,11,14-tetraenoate
Authors:Yin, Y.X, Ding, D.
Deposit date:2023-06-06
Release date:2024-02-07
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural and functional insights into the lipid regulation of human anion exchanger 2.
Nat Commun, 15, 2024
8JNJ
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BU of 8jnj by Molmil
Structure of R932A/K1147A/H1148A mutant AE2
Descriptor: Anion exchange protein 2
Authors:Yin, Y.X, Ding, D.
Deposit date:2023-06-06
Release date:2024-02-07
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural and functional insights into the lipid regulation of human anion exchanger 2.
Nat Commun, 15, 2024

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