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7CL1
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BU of 7cl1 by Molmil
Human SIRT6 in complex with allosteric activator MDL-801 (3.2A)
Descriptor: 5-[[3,5-bis(chloranyl)phenyl]sulfonylamino]-2-[(5-bromanyl-4-fluoranyl-2-methyl-phenyl)sulfamoyl]benzoic acid, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Song, K, Zhang, J.
Deposit date:2020-07-20
Release date:2021-02-24
Last modified:2021-05-12
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Reply to: Binding site for MDL-801 on SIRT6.
Nat.Chem.Biol., 17, 2021
8I1O
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BU of 8i1o by Molmil
Crystal structure of APSK2 domain from human PAPSS2 in complex with exogenous APS and ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-PHOSPHOSULFATE, Bifunctional 3'-phosphoadenosine 5'-phosphosulfate synthase 2
Authors:Zhang, L, Song, W.Y, Zhang, L.
Deposit date:2023-01-13
Release date:2023-06-28
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Redox switching mechanism of the adenosine 5'-phosphosulfate kinase domain (APSK2) of human PAPS synthase 2.
Structure, 31, 2023
8I1N
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BU of 8i1n by Molmil
Crystal structure of APSK2 domain from human PAPSS2 in complex with endogenous APS and ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-PHOSPHOSULFATE, Bifunctional 3'-phosphoadenosine 5'-phosphosulfate synthase 2
Authors:Zhang, L, Song, W.Y, Zhang, L.
Deposit date:2023-01-13
Release date:2023-06-28
Last modified:2023-07-19
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Redox switching mechanism of the adenosine 5'-phosphosulfate kinase domain (APSK2) of human PAPS synthase 2.
Structure, 31, 2023
7X9D
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BU of 7x9d by Molmil
DNMT3B in complex with harmine
Descriptor: 7-METHOXY-1-METHYL-9H-BETA-CARBOLINE, DNA (cytosine-5)-methyltransferase 3-like, DNA (cytosine-5)-methyltransferase 3B
Authors:Cho, C.-C, Yuan, H.S.
Deposit date:2022-03-15
Release date:2023-03-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.08 Å)
Cite:Mechanistic Insights into Harmine-Mediated Inhibition of Human DNA Methyltransferases and Prostate Cancer Cell Growth.
Acs Chem.Biol., 18, 2023
5UV2
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BU of 5uv2 by Molmil
Crystal Structure of (+)-Limonene Synthase Complexed with 2-Fluoroneryl Diphosphate
Descriptor: (+)-limonene synthase, (2E)-2-fluoro-3,7-dimethylocta-2,6-dien-1-yl trihydrogen diphosphate, MANGANESE (II) ION
Authors:Prem Kumar, R, Malik, K, Oprian, D.D.
Deposit date:2017-02-17
Release date:2017-03-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Characterization of Early Michaelis Complexes in the Reaction Catalyzed by (+)-Limonene Synthase from Citrus sinensis Using Fluorinated Substrate Analogues.
Biochemistry, 56, 2017
7EH5
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BU of 7eh5 by Molmil
Cryo-EM structure of SARS-CoV-2 S-D614G variant in complex with neutralizing antibodies, RBD-chAb15 and RBD-chAb45
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, RBD-chAb15, ...
Authors:Yang, T.J, Yu, P.Y, Chang, Y.C, Wu, H.C, Hsu, S.T.D.
Deposit date:2021-03-28
Release date:2021-09-01
Last modified:2022-01-05
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Effect of SARS-CoV-2 B.1.1.7 mutations on spike protein structure and function.
Nat.Struct.Mol.Biol., 28, 2021
7EDJ
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BU of 7edj by Molmil
Cryo-EM structure of SARS-CoV-2 S-UK variant (B.1.1.7) in complex with Angiotensin-converting enzyme 2 (ACE2) ectodomain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2 (ACE2) ectodomain, ...
Authors:Yang, T.J, Yu, P.Y, Chang, Y.C, Wu, H.C, Hsu, S.T.D.
Deposit date:2021-03-16
Release date:2021-09-01
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Effect of SARS-CoV-2 B.1.1.7 mutations on spike protein structure and function.
Nat.Struct.Mol.Biol., 28, 2021
7EDI
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BU of 7edi by Molmil
Cryo-EM structure of SARS-CoV-2 S-UK variant (B.1.1.7), two RBD-up conformation
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:Yang, T.J, Yu, P.Y, Chang, Y.C, Wu, H.C, Hsu, S.T.D.
Deposit date:2021-03-16
Release date:2021-09-01
Last modified:2022-01-05
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Effect of SARS-CoV-2 B.1.1.7 mutations on spike protein structure and function.
Nat.Struct.Mol.Biol., 28, 2021
7EDH
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BU of 7edh by Molmil
Cryo-EM structure of SARS-CoV-2 S-UK variant (B.1.1.7), one RBD-up conformation 3
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:Yang, T.J, Yu, P.Y, Chang, Y.C, Wu, H.C, Hsu, S.T.D.
Deposit date:2021-03-16
Release date:2021-09-01
Last modified:2022-01-05
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Effect of SARS-CoV-2 B.1.1.7 mutations on spike protein structure and function.
Nat.Struct.Mol.Biol., 28, 2021
7EDF
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BU of 7edf by Molmil
Cryo-EM structure of SARS-CoV-2 S-UK variant (B.1.1.7), one RBD-up conformation 1
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:Yang, T.J, Yu, P.Y, Chang, Y.C, Wu, H.C, Hsu, S.T.D.
Deposit date:2021-03-16
Release date:2021-09-01
Last modified:2022-01-05
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Effect of SARS-CoV-2 B.1.1.7 mutations on spike protein structure and function.
Nat.Struct.Mol.Biol., 28, 2021
7EDG
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BU of 7edg by Molmil
Cryo-EM structure of SARS-CoV-2 S-UK variant (B.1.1.7), one RBD-up conformation 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, Spike glycoprotein, ...
Authors:Yang, T.J, Yu, P.Y, Chang, Y.C, Wu, H.C, Hsu, S.T.D.
Deposit date:2021-03-16
Release date:2021-09-01
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Effect of SARS-CoV-2 B.1.1.7 mutations on spike protein structure and function.
Nat.Struct.Mol.Biol., 28, 2021
7E1Q
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BU of 7e1q by Molmil
Crystal structure of dehydrogenase/isomerase FabX from Helicobacter pylori
Descriptor: 2-nitropropane dioxygenase, CHLORIDE ION, FLAVIN MONONUCLEOTIDE, ...
Authors:Zhou, J.S, Zhang, L, Zhang, L.
Deposit date:2021-02-03
Release date:2021-12-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Helicobacter pylori FabX contains a [4Fe-4S] cluster essential for unsaturated fatty acid synthesis.
Nat Commun, 12, 2021
7E1S
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BU of 7e1s by Molmil
Crystal structure of dehydrogenase/isomerase FabX from Helicobacter pylori in complex with octanoyl-ACP
Descriptor: 2-nitropropane dioxygenase, Acyl carrier protein,Acyl carrier protein, FLAVIN MONONUCLEOTIDE, ...
Authors:Zhou, J.S, Zhang, L, Zhang, L.
Deposit date:2021-02-03
Release date:2021-12-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Helicobacter pylori FabX contains a [4Fe-4S] cluster essential for unsaturated fatty acid synthesis.
Nat Commun, 12, 2021
7E1R
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BU of 7e1r by Molmil
Crystal structure of Dehydrogenase/isomerase FabX from Helicobacter pylori in complex with holo-ACP
Descriptor: 2-nitropropane dioxygenase, Acyl carrier protein,Acyl carrier protein, FLAVIN MONONUCLEOTIDE, ...
Authors:Zhou, J.S, Zhang, L, Zhang, L.
Deposit date:2021-02-03
Release date:2021-12-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.795 Å)
Cite:Helicobacter pylori FabX contains a [4Fe-4S] cluster essential for unsaturated fatty acid synthesis.
Nat Commun, 12, 2021
7E38
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BU of 7e38 by Molmil
Crystal structure of deoxypodophyllotoxin synthase from Sinopodophyllum hexandrum in complex with yatein and succinate
Descriptor: (3~{R},4~{R})-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one, (3~{S},4~{S})-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one, Deoxypodophyllotoxin synthase, ...
Authors:Wu, M.-H, Chang, W.-c, Chien, T.-C, Chan, N.-L.
Deposit date:2021-02-08
Release date:2021-12-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Mechanistic analysis of carbon-carbon bond formation by deoxypodophyllotoxin synthase.
Proc.Natl.Acad.Sci.USA, 119, 2022
7FHA
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BU of 7fha by Molmil
Crystal structure of the ATP sulfurylase domain of human PAPSS2 in complex with APS
Descriptor: ADENOSINE-5'-PHOSPHOSULFATE, Bifunctional 3'-phosphoadenosine 5'-phosphosulfate synthase 2, POTASSIUM ION, ...
Authors:Zhang, P, Zhang, L, Zhang, L.
Deposit date:2021-07-29
Release date:2021-12-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for the substrate recognition mechanism of ATP-sulfurylase domain of human PAPS synthase 2.
Biochem.Biophys.Res.Commun., 586, 2022
7FH3
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BU of 7fh3 by Molmil
Crystal structure of the ATP sulfurylase domain of human PAPSS2
Descriptor: Bifunctional 3'-phosphoadenosine 5'-phosphosulfate synthase 2, SULFATE ION, beta-D-glucopyranose
Authors:Zhang, P, Zhang, L, Zhang, L.
Deposit date:2021-07-29
Release date:2021-12-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis for the substrate recognition mechanism of ATP-sulfurylase domain of human PAPS synthase 2.
Biochem.Biophys.Res.Commun., 586, 2022
7EPX
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BU of 7epx by Molmil
S protein of SARS-CoV-2 in complex with GW01
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:Shen, Y.P, Zhang, Y.Y, Yan, R.H, Li, Y.N, Zhou, Q.
Deposit date:2021-04-28
Release date:2022-05-18
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Novel sarbecovirus bispecific neutralizing antibodies with exceptional breadth and potency against currently circulating SARS-CoV-2 variants and sarbecoviruses.
Cell Discov, 8, 2022
7CMO
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BU of 7cmo by Molmil
Crystal structure of human inorganic pyrophosphatase
Descriptor: Inorganic pyrophosphatase
Authors:Hu, F, Huang, Z, Li, L.
Deposit date:2020-07-28
Release date:2020-10-21
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Structural and biochemical characterization of inorganic pyrophosphatase from Homo sapiens.
Biochem.Biophys.Res.Commun., 533, 2020
8X1N
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BU of 8x1n by Molmil
Cryo-EM structure of human alpha-fetoprotein
Descriptor: Alpha-fetoprotein, PALMITIC ACID, ZINC ION, ...
Authors:Liu, Z.M, Li, M.S, Wu, C, Liu, K.
Deposit date:2023-11-08
Release date:2024-05-15
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.31 Å)
Cite:Structural characteristics of alpha-fetoprotein, including N-glycosylation, metal ion and fatty acid binding sites.
Commun Biol, 7, 2024
7EU8
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BU of 7eu8 by Molmil
Structure of the human GluN1-GluN2B NMDA receptor in complex with S-ketamine,glycine and glutamate
Descriptor: (2~{S})-2-(2-chlorophenyl)-2-(methylamino)cyclohexan-1-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, Glutamate receptor ionotropic, ...
Authors:Zhang, T, Zhang, Y, Zhu, S.
Deposit date:2021-05-16
Release date:2021-07-28
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (4.07 Å)
Cite:Structural basis of ketamine action on human NMDA receptors.
Nature, 596, 2021
7EU7
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BU of 7eu7 by Molmil
Structure of the human GluN1-GluN2A NMDA receptor in complex with S-ketamine, glycine and glutamate
Descriptor: (2~{S})-2-(2-chlorophenyl)-2-(methylamino)cyclohexan-1-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLUTAMIC ACID, ...
Authors:Zhang, Y, Zhang, T, Zhu, S.
Deposit date:2021-05-16
Release date:2021-08-04
Last modified:2022-10-26
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structural basis of ketamine action on human NMDA receptors.
Nature, 596, 2021
8I1M
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BU of 8i1m by Molmil
Crystal structure of oxidated APSK1 domain from human PAPSS1 in complex with APS and ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-PHOSPHOSULFATE, PAPSS1 protein, ...
Authors:Zhang, L, Song, W.Y, Zhang, L.
Deposit date:2023-01-13
Release date:2023-06-28
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.699 Å)
Cite:Redox switching mechanism of the adenosine 5'-phosphosulfate kinase domain (APSK2) of human PAPS synthase 2.
Structure, 31, 2023
8JFN
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BU of 8jfn by Molmil
Crystal structure of enoyl-ACP reductase FabI in complex with NAD+ and crotonyl-ACP from Helicobacter pylori
Descriptor: Acyl carrier protein, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Song, W.Y, Zhang, L.
Deposit date:2023-05-18
Release date:2023-11-15
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:The Molecular Basis of Catalysis by SDR Family Members Ketoacyl-ACP Reductase FabG and Enoyl-ACP Reductase FabI in Type-II Fatty Acid Biosynthesis.
Angew.Chem.Int.Ed.Engl., 62, 2023
8JFM
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BU of 8jfm by Molmil
Crystal structure of enoyl-ACP reductase FabI in complex with NADH from Helicobacter pylori
Descriptor: Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Song, W.Y, Zhang, L.
Deposit date:2023-05-18
Release date:2023-11-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:The Molecular Basis of Catalysis by SDR Family Members Ketoacyl-ACP Reductase FabG and Enoyl-ACP Reductase FabI in Type-II Fatty Acid Biosynthesis.
Angew.Chem.Int.Ed.Engl., 62, 2023

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