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7R8N
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BU of 7r8n by Molmil
Structure of the SARS-CoV-2 S 6P trimer in complex with neutralizing antibody C051
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, C051 Fab Heavy Chain, ...
Authors:Barnes, C.O, Bjorkman, P.J.
Deposit date:2021-06-26
Release date:2021-08-04
Last modified:2021-10-06
Method:ELECTRON MICROSCOPY (3.55 Å)
Cite:Affinity maturation of SARS-CoV-2 neutralizing antibodies confers potency, breadth, and resilience to viral escape mutations.
Immunity, 54, 2021
7R8O
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BU of 7r8o by Molmil
Structure of the SARS-CoV-2 S 6P trimer in complex with neutralizing antibody C548
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-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, ...
Authors:DeLaitsch, A.T, Barnes, C.O, Bjorkman, P.J.
Deposit date:2021-06-26
Release date:2021-08-04
Last modified:2021-10-13
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Affinity maturation of SARS-CoV-2 neutralizing antibodies confers potency, breadth, and resilience to viral escape mutations.
Immunity, 54, 2021
7R8L
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BU of 7r8l by Molmil
Structure of the SARS-CoV-2 RBD in complex with neutralizing antibody C099 and CR3022
Descriptor: C099 Fab Heavy Chain, C099 Fab Light Chain, CR3022 Fab heavy chain, ...
Authors:Barnes, C.O, Bjorkman, P.J.
Deposit date:2021-06-26
Release date:2021-08-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Affinity maturation of SARS-CoV-2 neutralizing antibodies confers potency, breadth, and resilience to viral escape mutations.
Immunity, 54, 2021
7R8M
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BU of 7r8m by Molmil
Structure of the SARS-CoV-2 S 6P trimer in complex with neutralizing antibody C032
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-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, ...
Authors:DeLaitsch, A.T, Barnes, C.O, Bjorkman, P.J.
Deposit date:2021-06-26
Release date:2021-08-04
Last modified:2021-10-06
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Affinity maturation of SARS-CoV-2 neutralizing antibodies confers potency, breadth, and resilience to viral escape mutations.
Immunity, 54, 2021
7L0R
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BU of 7l0r by Molmil
Structure of NTS-NTSR1-Gi complex in lipid nanodisc, noncanonical state, without AHD
Descriptor: Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(T) subunit gamma-T1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
Authors:Zhang, M, Gui, M, Wang, Z, Gorgulla, C, Yu, J.J, Wu, H, Sun, Z, Klenk, C, Merklinger, L, Morstein, L, Hagn, F, Pluckthun, A, Brown, A, Nasr, M.L, Wagner, G.
Deposit date:2020-12-12
Release date:2021-01-06
Last modified:2021-03-24
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Cryo-EM structure of an activated GPCR-G protein complex in lipid nanodiscs.
Nat.Struct.Mol.Biol., 28, 2021
7L0P
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BU of 7l0p by Molmil
Structure of NTS-NTSR1-Gi complex in lipid nanodisc, canonical state, without AHD
Descriptor: Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(T) subunit gamma-T1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
Authors:Zhang, M, Gui, M, Wang, Z, Gorgulla, C, Yu, J.J, Wu, H, Sun, Z, Klenk, C, Merklinger, L, Morstein, L, Hagn, F, Pluckthun, A, Brown, A, Nasr, M.L, Wagner, G.
Deposit date:2020-12-12
Release date:2021-01-06
Last modified:2021-03-24
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Cryo-EM structure of an activated GPCR-G protein complex in lipid nanodiscs.
Nat.Struct.Mol.Biol., 28, 2021
7L0S
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BU of 7l0s by Molmil
Structure of NTS-NTSR1-Gi complex in lipid nanodisc, noncanonical state, with AHD
Descriptor: Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(T) subunit gamma-T1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
Authors:Zhang, M, Gui, M, Wang, Z, Gorgulla, C, Yu, J.J, Wu, H, Sun, Z, Klenk, C, Merklinger, L, Morstein, L, Hagn, F, Pluckthun, A, Brown, A, Nasr, M.L, Wagner, G.
Deposit date:2020-12-12
Release date:2021-01-06
Last modified:2021-03-24
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:Cryo-EM structure of an activated GPCR-G protein complex in lipid nanodiscs.
Nat.Struct.Mol.Biol., 28, 2021
7L0Q
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BU of 7l0q by Molmil
Structure of NTS-NTSR1-Gi complex in lipid nanodisc, canonical state, with AHD
Descriptor: Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(T) subunit gamma-T1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
Authors:Zhang, M, Gui, M, Wang, Z, Gorgulla, C, Yu, J.J, Wu, H, Sun, Z, Klenk, C, Merklinger, L, Morstein, L, Hagn, F, Pluckthun, A, Brown, A, Nasr, M.L, Wagner, G.
Deposit date:2020-12-12
Release date:2021-01-06
Last modified:2021-03-31
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Cryo-EM structure of an activated GPCR-G protein complex in lipid nanodiscs.
Nat.Struct.Mol.Biol., 28, 2021
8H8I
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BU of 8h8i by Molmil
Triterpenoid saponin acetyltransferase, AmAT7-3
Descriptor: AmAT7-3, Astragaloside IV
Authors:Wang, L.L.
Deposit date:2022-10-22
Release date:2023-09-13
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Characterization and structure-based protein engineering of a regiospecific saponin acetyltransferase from Astragalus membranaceus.
Nat Commun, 14, 2023
8HBT
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BU of 8hbt by Molmil
AmAT7-3 mutant A310G
Descriptor: AmAT7-3-A310G, Astragaloside IV
Authors:Wang, L.L.
Deposit date:2022-10-31
Release date:2023-09-13
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Characterization and structure-based protein engineering of a regiospecific saponin acetyltransferase from Astragalus membranaceus.
Nat Commun, 14, 2023
8K3K
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BU of 8k3k by Molmil
The crystal structure of nanobody Nb4 in complex with receptor binding domain (RBD) of BA.1 Spike protein
Descriptor: Nanobody Nb4, Spike protein S1
Authors:Wang, H.Y, Xu, W.Q.
Deposit date:2023-07-16
Release date:2024-01-24
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:A potent and broad-spectrum neutralizing nanobody for SARS-CoV-2 viruses, including all major Omicron strains.
MedComm (2020), 4, 2023
4IVM
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BU of 4ivm by Molmil
Structure of human protoporphyrinogen IX oxidase(R59G)
Descriptor: 5-[2-CHLORO-4-(TRIFLUOROMETHYL)PHENOXY]-2-NITROBENZOIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
Authors:Xiaohong, Q, Baifan, W.
Deposit date:2013-01-23
Release date:2013-03-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.769 Å)
Cite:Quantitative structural insight into human variegate porphyria disease.
J.Biol.Chem., 288, 2013
2TIO
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BU of 2tio by Molmil
LOW PACKING DENSITY FORM OF BOVINE BETA-TRYPSIN IN CYCLOHEXANE
Descriptor: BENZAMIDINE, CALCIUM ION, HEXANE, ...
Authors:Huang, Q, Zhu, G, Tang, Q.
Deposit date:1998-09-23
Release date:1998-09-30
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:X-ray studies on two forms of bovine beta-trypsin crystals in neat cyclohexane.
Biochim.Biophys.Acta, 1429, 1998
8K46
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BU of 8k46 by Molmil
A potent and broad-spectrum neutralizing nanobody for SARS-CoV-2 viruses including all major Omicron strains
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ...
Authors:Lu, Y, Gao, Y, Yao, H, Xu, W, Yang, H.
Deposit date:2023-07-17
Release date:2023-12-13
Method:ELECTRON MICROSCOPY (3.37 Å)
Cite:A potent and broad-spectrum neutralizing nanobody for SARS-CoV-2 viruses, including all major Omicron strains.
MedComm (2020), 4, 2023
8K45
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BU of 8k45 by Molmil
A potent and broad-spectrum neutralizing nanobody for SARS-CoV-2 viruses including all major Omicron strains
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Nb4 nanobody, ...
Authors:Lu, Y, Gao, Y, Yao, H, Xu, W, Yang, H.
Deposit date:2023-07-17
Release date:2023-12-13
Method:ELECTRON MICROSCOPY (3.66 Å)
Cite:A potent and broad-spectrum neutralizing nanobody for SARS-CoV-2 viruses, including all major Omicron strains.
MedComm (2020), 4, 2023
8K47
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BU of 8k47 by Molmil
A potent and broad-spectrum neutralizing nanobody for SARS-CoV-2 viruses including all major Omicron strains
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ...
Authors:Lu, Y, Gao, Y, Yao, H, Xu, W, Yang, H.
Deposit date:2023-07-17
Release date:2023-12-13
Method:ELECTRON MICROSCOPY (3.54 Å)
Cite:A potent and broad-spectrum neutralizing nanobody for SARS-CoV-2 viruses, including all major Omicron strains.
MedComm (2020), 4, 2023
6KZ5
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BU of 6kz5 by Molmil
Crystal Structure Analysis of the Csn-B-bounded NUR77 Ligand binding Domain
Descriptor: Nuclear receptor subfamily 4 group A member 1, ethyl 2-[2-octanoyl-3,5-bis(oxidanyl)phenyl]ethanoate
Authors:Hong, W, Chen, H, Wu, Q, Lin, T.
Deposit date:2019-09-23
Release date:2020-10-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (4.45 Å)
Cite:Blocking PPAR gamma interaction facilitates Nur77 interdiction of fatty acid uptake and suppresses breast cancer progression.
Proc.Natl.Acad.Sci.USA, 117, 2020
5AZF
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BU of 5azf by Molmil
Crystal structure of LGG-1 complexed with a WEEL peptide
Descriptor: CADMIUM ION, Protein lgg-1, SULFATE ION, ...
Authors:Watanabe, Y, Noda, N.N.
Deposit date:2015-10-05
Release date:2015-12-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural Basis of the Differential Function of the Two C. elegans Atg8 Homologs, LGG-1 and LGG-2, in Autophagy.
Mol.Cell, 60, 2015
5AZG
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BU of 5azg by Molmil
Crystal structure of LGG-1 complexed with a UNC-51 peptide
Descriptor: CADMIUM ION, Protein lgg-1, Serine/threonine-protein kinase unc-51
Authors:Watanabe, Y, Fujioka, Y, Noda, N.N.
Deposit date:2015-10-05
Release date:2015-12-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Structural Basis of the Differential Function of the Two C. elegans Atg8 Homologs, LGG-1 and LGG-2, in Autophagy.
Mol.Cell, 60, 2015
5AZH
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BU of 5azh by Molmil
Crystal structure of LGG-2 fused with an EEEWEEL peptide
Descriptor: EEEWEEL peptide,Protein lgg-2, MAGNESIUM ION
Authors:Watanabe, Y, Fujioka, Y, Noda, N.N.
Deposit date:2015-10-05
Release date:2015-12-30
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Basis of the Differential Function of the Two C. elegans Atg8 Homologs, LGG-1 and LGG-2, in Autophagy.
Mol.Cell, 60, 2015
4OEW
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BU of 4oew by Molmil
Crystal structure of the PDE5A1 catalytic domain in complex with novel inhibitors
Descriptor: 6-ethyl-5-iodo-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3H)-one, MAGNESIUM ION, ZINC ION, ...
Authors:Chen, T.T, Ren, J, Xu, Y.C.
Deposit date:2014-01-14
Release date:2015-04-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Thermodynamic and structural characterization of halogen bonding in protein-ligand interactions: a case study of PDE5 and its inhibitors.
J.Med.Chem., 57, 2014
5COI
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BU of 5coi by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with benzo[cd]indol-2(1H)-one ligand
Descriptor: 1-({[(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)sulfonyl]amino}methyl)cyclopentanecarboxylic acid, Bromodomain-containing protein 4
Authors:Zhang, Y, Song, M, Liu, Z, Xue, X, Xu, Y.
Deposit date:2015-07-20
Release date:2016-01-13
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Discovery of Benzo[cd]indol-2(1H)-ones as Potent and Specific BET Bromodomain Inhibitors: Structure-Based Virtual Screening, Optimization, and Biological Evaluation
J.Med.Chem., 59, 2016
5CPE
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BU of 5cpe by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with benzo[cd]indol-2(1H)-one ligand
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, N-cycloheptyl-1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide
Authors:Zhang, Y, Song, M, Liu, Z, Xue, X, Xu, Y.
Deposit date:2015-07-21
Release date:2016-01-13
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Discovery of Benzo[cd]indol-2(1H)-ones as Potent and Specific BET Bromodomain Inhibitors: Structure-Based Virtual Screening, Optimization, and Biological Evaluation
J.Med.Chem., 59, 2016
5CP5
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BU of 5cp5 by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with benzo[cd]indol-2(1H)-one ligand
Descriptor: 1,2-ETHANEDIOL, 1-ethyl-N-(4-fluorophenyl)-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide, Bromodomain-containing protein 4, ...
Authors:Zhang, Y, Song, M, Liu, Z, Xue, X, Xu, Y.
Deposit date:2015-07-21
Release date:2016-01-13
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Discovery of Benzo[cd]indol-2(1H)-ones as Potent and Specific BET Bromodomain Inhibitors: Structure-Based Virtual Screening, Optimization, and Biological Evaluation
J.Med.Chem., 59, 2016
6MO5
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BU of 6mo5 by Molmil
Co-Crystal structure of P. aeruginosa LpxC-50228 complex
Descriptor: MAGNESIUM ION, N-[(2S)-1-(hydroxyamino)-3-methyl-3-{[(oxetan-3-yl)methyl]sulfonyl}-1-oxobutan-2-yl]-4-(6-hydroxyhexa-1,3-diyn-1-yl)benzamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase
Authors:Stein, A.J, Holt, M.C, Assar, Z, Cohen, F, Andrews, L, Cirz, R.
Deposit date:2018-10-04
Release date:2019-07-17
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.851 Å)
Cite:Optimization of LpxC Inhibitors for Antibacterial Activity and Cardiovascular Safety.
Chemmedchem, 14, 2019

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