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6Y9Z
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BU of 6y9z by Molmil
Structure of the native full-length HIV-1 capsid protein in complex with Cyclophilin A from helical assembly (-13,9)
Descriptor: Gag-Pol polyprotein, Peptidyl-prolyl cis-trans isomerase A
Authors:Ni, T, Gerard, S, Zhao, G, Ning, J, Zhang, P.
Deposit date:2020-03-10
Release date:2020-08-19
Last modified:2021-02-10
Method:ELECTRON MICROSCOPY (4.8 Å)
Cite:Intrinsic curvature of the HIV-1 CA hexamer underlies capsid topology and interaction with cyclophilin A.
Nat.Struct.Mol.Biol., 27, 2020
8KCO
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BU of 8kco by Molmil
Cryo-EM structure of human gamma-secretase in complex with RO4929097
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2,2-dimethyl-N-[(7S)-6-oxo-5,7-dihydrobenzo[d][1]benzazepin-7-yl]-N'-(2,2,3,3,3-pentafluoropropyl)propanediamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Guo, X, Li, H, Kai, U, Yan, C, Lei, J, Zhou, R, Shi, Y.
Deposit date:2023-08-08
Release date:2024-08-14
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:CryoEM structure of PS1-containing gamma-secretase in complex with MRK-560
To Be Published
3V65
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BU of 3v65 by Molmil
Crystal structure of agrin and LRP4 complex
Descriptor: Agrin, CALCIUM ION, Low-density lipoprotein receptor-related protein 4
Authors:Zong, Y, Jin, R.
Deposit date:2011-12-18
Release date:2012-04-25
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structural basis of agrin-LRP4-MuSK signaling.
Genes Dev., 26, 2012
6VPY
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BU of 6vpy by Molmil
I33M (I3.2 mutant from CH103 Lineage)
Descriptor: CHLORIDE ION, GLYCEROL, I33M heavy chain, ...
Authors:Fera, D, Zhou, J.
Deposit date:2020-02-04
Release date:2020-07-15
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:The Effects of Framework Mutations at the Variable Domain Interface on Antibody Affinity Maturation in an HIV-1 Broadly Neutralizing Antibody Lineage.
Front Immunol, 11, 2020
3N82
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BU of 3n82 by Molmil
T244A mutant of Human mitochondrial aldehyde dehydrogenase, NADH complex
Descriptor: 1,2-ETHANEDIOL, Aldehyde dehydrogenase, mitochondrial, ...
Authors:Gonzalez-Segura, L, Hurley, T.D.
Deposit date:2010-05-27
Release date:2011-04-13
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Conformational Selection During Catalysis: The role of Threonine 244 in ALDH2
To be published
3N81
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BU of 3n81 by Molmil
T244A mutant of Human mitochondrial aldehyde dehydrogenase, apo form
Descriptor: 1,2-ETHANEDIOL, Aldehyde dehydrogenase, mitochondrial, ...
Authors:Gonzalez-Segura, L, Hurley, T.D.
Deposit date:2010-05-27
Release date:2011-04-13
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Conformational Selection During Catalysis: The role of Threonine 244 in ALDH2
To be published
8FXB
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BU of 8fxb by Molmil
SARS-CoV-2 XBB.1 spike RBD bound to the human ACE2 ectodomain and the S309 neutralizing antibody Fab fragment
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, S309 Heavy chain, ...
Authors:Park, Y.J, Seattle Structural Genomics Center for Infectious Disease (SSGCID), Veesler, D.
Deposit date:2023-01-24
Release date:2023-10-04
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Neutralization, effector function and immune imprinting of Omicron variants.
Nature, 621, 2023
8FXC
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BU of 8fxc by Molmil
SARS-CoV-2 BQ.1.1 spike RBD bound to the human ACE2 ectodomain and the S309 neutralizing antibody Fab fragment
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, S309 Heavy chain, ...
Authors:Park, Y.J, Seattle Structural Genomics Center for Infectious Disease (SSGCID), Veesler, D.
Deposit date:2023-01-24
Release date:2023-10-04
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Neutralization, effector function and immune imprinting of Omicron variants.
Nature, 621, 2023
6ISQ
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BU of 6isq by Molmil
structure of Lipase mutant with oxided Cys-His-Asp catalytic triad
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, ISOPROPYL ALCOHOL, ...
Authors:Cen, Y.X, Zhou, J.H, Wu, Q.
Deposit date:2018-11-18
Release date:2019-07-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Artificial cysteine-lipases with high activity and altered catalytic mechanism created by laboratory evolution.
Nat Commun, 10, 2019
6ISR
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BU of 6isr by Molmil
structure of lipase mutant with Cys-His-Asp catalytic triad
Descriptor: DI(HYDROXYETHYL)ETHER, Lipase B, NICKEL (II) ION, ...
Authors:Cen, Y.X, Zhou, J.H, Wu, Q.
Deposit date:2018-11-18
Release date:2019-07-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Artificial cysteine-lipases with high activity and altered catalytic mechanism created by laboratory evolution.
Nat Commun, 10, 2019
1ZA6
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BU of 1za6 by Molmil
The structure of an antitumor CH2-domain-deleted humanized antibody
Descriptor: IGG Heavy chain, IGG Light chain
Authors:Larson, S.B, Day, J.S, Glaser, S, Braslawsky, G, McPherson, A.
Deposit date:2005-04-05
Release date:2005-05-10
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The Structure of an Antitumor C(H)2-domain-deleted Humanized Antibody.
J.Mol.Biol., 348, 2005
8GRY
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BU of 8gry by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron BA.2 RBD in complex with rat ACE2 (local refinement)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike protein S1, ...
Authors:Zhao, Z.N, Xie, Y.F, Chai, Y, Qi, J.X, Gao, G.F.
Deposit date:2022-09-03
Release date:2023-07-19
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.29 Å)
Cite:Structural basis for receptor binding and broader interspecies receptor recognition of currently circulating Omicron sub-variants.
Nat Commun, 14, 2023
6ISP
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BU of 6isp by Molmil
structure of Candida antarctica Lipase B mutant
Descriptor: CALCIUM ION, Lipase B, N,N-BIS(3-D-GLUCONAMIDOPROPYL)DEOXYCHOLAMIDE
Authors:Cen, Y.X, Zhou, J.H, Wu, Q.
Deposit date:2018-11-18
Release date:2019-07-24
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Artificial cysteine-lipases with high activity and altered catalytic mechanism created by laboratory evolution.
Nat Commun, 10, 2019
7V2U
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BU of 7v2u by Molmil
The complex structure of SoBcmB and its product 2f
Descriptor: (1S,5S,6S)-5-methyl-1-[(1S,2S)-2-methyl-1,2,3-tris(oxidanyl)propyl]-2-oxa-7,9-diazabicyclo[4.2.2]decane-8,10-dione, 2-OXOGLUTARIC ACID, CHLORIDE ION, ...
Authors:Wu, L, Zhou, J.H.
Deposit date:2021-08-09
Release date:2023-02-15
Last modified:2024-09-04
Method:X-RAY DIFFRACTION (2.00009918 Å)
Cite:Enzymatic catalysis favours eight-membered over five-membered ring closure in bicyclomycin biosynthesis
Nat Catal, 6, 2023
7V2X
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BU of 7v2x by Molmil
The complex structure of soBcmB and its substrate 1
Descriptor: (3S,6S)-3-[(2S)-butan-2-yl]-6-[(2R)-2-methyl-2,3-bis(oxidanyl)propyl]piperazine-2,5-dion, 2-OXOGLUTARIC ACID, FE (II) ION, ...
Authors:Wu, L, Zhou, J.H.
Deposit date:2021-08-10
Release date:2023-02-15
Last modified:2024-09-04
Method:X-RAY DIFFRACTION (2.08387423 Å)
Cite:Enzymatic catalysis favours eight-membered over five-membered ring closure in bicyclomycin biosynthesis
Nat Catal, 6, 2023
6W0Z
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BU of 6w0z by Molmil
Structure of KHK in complex with compound 8 (2-[(1~{S},5~{R})-3-[2-[(2~{S})-2-methylazetidin-1-yl]-6-(trifluoromethyl)pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-yl]ethanoic acid)
Descriptor: 2-[(1~{S},5~{R})-3-[2-[(2~{S})-2-methylazetidin-1-yl]-6-(trifluoromethyl)pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-yl]ethanoic acid, Ketohexokinase, SULFATE ION
Authors:Jasti, J.
Deposit date:2020-03-03
Release date:2020-09-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of PF-06835919: A Potent Inhibitor of Ketohexokinase (KHK) for the Treatment of Metabolic Disorders Driven by the Overconsumption of Fructose.
J.Med.Chem., 63, 2020
6W0X
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BU of 6w0x by Molmil
Structure of KHK in complex with compound 4 (6-[(1~{S},5~{R})-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-[(2~{S},3~{R})-2-methyl-3-oxidanyl-azetidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile)
Descriptor: 6-[(1~{S},5~{R})-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-[(2~{S},3~{R})-2-methyl-3-oxidanyl-azetidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile, Ketohexokinase, SULFATE ION
Authors:Jasti, J.
Deposit date:2020-03-03
Release date:2020-09-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Discovery of PF-06835919: A Potent Inhibitor of Ketohexokinase (KHK) for the Treatment of Metabolic Disorders Driven by the Overconsumption of Fructose.
J.Med.Chem., 63, 2020
6W0W
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BU of 6w0w by Molmil
Structure of KHK in complex with compound 3
Descriptor: 6-[(3~{R},4~{S})-3,4-bis(oxidanyl)pyrrolidin-1-yl]-2-[(2~{S},3~{R})-2-methyl-3-oxidanyl-azetidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile, Ketohexokinase, SULFATE ION
Authors:Jasti, J.
Deposit date:2020-03-03
Release date:2020-09-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discovery of PF-06835919: A Potent Inhibitor of Ketohexokinase (KHK) for the Treatment of Metabolic Disorders Driven by the Overconsumption of Fructose.
J.Med.Chem., 63, 2020
7CMH
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BU of 7cmh by Molmil
The LAT2-4F2hc complex in complex with tryptophan
Descriptor: 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4F2 cell-surface antigen heavy chain, ...
Authors:Yan, R.H, Zhou, J.Y, Li, Y.N, Lei, J.L, Zhou, Q.
Deposit date:2020-07-27
Release date:2020-12-23
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural insight into the substrate recognition and transport mechanism of the human LAT2-4F2hc complex.
Cell Discov, 6, 2020
7CMI
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BU of 7cmi by Molmil
The LAT2-4F2hc complex in complex with leucine
Descriptor: 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4F2 cell-surface antigen heavy chain, ...
Authors:Yan, R.H, Zhou, J.Y, Li, Y.N, Lei, J.L, Zhou, Q.
Deposit date:2020-07-27
Release date:2020-12-23
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structural insight into the substrate recognition and transport mechanism of the human LAT2-4F2hc complex.
Cell Discov, 6, 2020
6TYB
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BU of 6tyb by Molmil
Isolation and Structure of an Antibody that Fully Neutralizes Isolate SIVmac239 Reveals Functional Similarity of SIV and HIV Glycan Shields
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp160, ...
Authors:Gorman, J, Kwong, P.D.
Deposit date:2019-08-08
Release date:2019-10-02
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.301 Å)
Cite:Isolation and Structure of an Antibody that Fully Neutralizes Isolate SIVmac239 Reveals Functional Similarity of SIV and HIV Glycan Shields.
Immunity, 51, 2019
4ERF
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BU of 4erf by Molmil
crystal structure of MDM2 (17-111) in complex with compound 29 (AM-8553)
Descriptor: E3 ubiquitin-protein ligase Mdm2, {(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(2S,3S)-2-hydroxypentan-3-yl]-3-methyl-2-oxopiperidin-3-yl}acetic acid
Authors:Huang, X.
Deposit date:2012-04-20
Release date:2012-05-23
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-based design of novel inhibitors of the MDM2-p53 interaction.
J.Med.Chem., 55, 2012
4ERE
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BU of 4ere by Molmil
crystal structure of MDM2 (17-111) in complex with compound 23
Descriptor: E3 ubiquitin-protein ligase Mdm2, SULFATE ION, [(3R,5R,6S)-1-[(2S)-1-tert-butoxy-1-oxobutan-2-yl]-5-(3-chlorophenyl)-6-(4-chlorophenyl)-2-oxopiperidin-3-yl]acetic acid
Authors:Huang, X.
Deposit date:2012-04-20
Release date:2012-05-23
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-based design of novel inhibitors of the MDM2-p53 interaction.
J.Med.Chem., 55, 2012
7CBB
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BU of 7cbb by Molmil
Crystal structure of SbnC in the biosynthesis of staphyloferrin B
Descriptor: ADENOSINE MONOPHOSPHATE, IucA/IucC family siderophore biosynthesis protein
Authors:Tang, J, Ju, Y, Zhou, H.
Deposit date:2020-06-11
Release date:2020-09-23
Last modified:2020-10-28
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural and Biochemical Characterization of SbnC as a Representative Type B Siderophore Synthetase.
Acs Chem.Biol., 15, 2020
4EQK
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BU of 4eqk by Molmil
Crystal structure of the cap-binding domain of polymerase basic protein 2 from influenza virus A/Hong Kong/1/68 (h3n2) with bound m7GTP
Descriptor: 7N-METHYL-8-HYDROGUANOSINE-5'-TRIPHOSPHATE, NITRATE ION, Polymerase basic protein 2
Authors:Meng, G, Liu, Y, Zheng, X.
Deposit date:2012-04-19
Release date:2013-03-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural and functional characterization of K339T substitution identified in the PB2 subunit cap-binding pocket of influenza A virus
J.Biol.Chem., 288, 2013

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