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6JOB
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BU of 6job by Molmil
Ferritin variant with "GMG" motif
Descriptor: Ferritin heavy chain
Authors:Zheng, B.W, Zhou, K, Zhang, T, Lv, C, Wang, H, Zhao, G.
Deposit date:2019-03-20
Release date:2020-03-25
Last modified:2024-03-27
Method:SOLUTION SCATTERING (2.93 Å), X-RAY DIFFRACTION
Cite:Self-assembly of protein nanocage into designed 2D and 3D networks by grafting amyloidogenic motifs on the exterior surfaces.
To Be Published
6JLQ
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BU of 6jlq by Molmil
Crystal structure of human USP46-WDR48-WDR20 complex
Descriptor: GLYCEROL, PHOSPHATE ION, Ubiquitin carboxyl-terminal hydrolase 46, ...
Authors:Zhu, H, Zhang, T, Ding, J.
Deposit date:2019-03-06
Release date:2019-07-10
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.101 Å)
Cite:Structural insights into the activation of USP46 by WDR48 and WDR20.
Cell Discov, 5, 2019
7YFS
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BU of 7yfs by Molmil
The NMR structure of noursin, a tricyclic ribosomal peptide containing a histidine-to-butyrine crosslink
Descriptor: noursin
Authors:Yao, H, Li, Y, Zhang, T, Gao, J, Wang, H.
Deposit date:2022-07-09
Release date:2023-05-31
Method:SOLUTION NMR
Cite:Discovery and biosynthesis of tricyclic copper-binding ribosomal peptides containing histidine-to-butyrine crosslinks
Nat Commun, 14, 2023
6KH1
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BU of 6kh1 by Molmil
Design and crystal structure of protein MOFs with ferritin nanocages as linkers and nickel clusters as nodes
Descriptor: FE (III) ION, Ferritin, NICKEL (II) ION
Authors:Gu, C, Chen, H, Wang, Y, Zhang, T, Whang, H, Zhao, G.
Deposit date:2019-07-12
Release date:2020-01-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural Insight into Binary Protein Metal-Organic Frameworks with Ferritin Nanocages as Linkers and Nickel Clusters as Nodes.
Chemistry, 26, 2020
6KH4
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BU of 6kh4 by Molmil
Design and crystal structure of protein MOFs with ferritin nanocages as linkers and nickel clusters as nodes
Descriptor: FE (III) ION, Ferritin, NICKEL (II) ION
Authors:Gu, C, Chen, H, Wang, Y, Zhang, T, Wang, H, Zhao, G.
Deposit date:2019-07-12
Release date:2020-01-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.302 Å)
Cite:Structural Insight into Binary Protein Metal-Organic Frameworks with Ferritin Nanocages as Linkers and Nickel Clusters as Nodes.
Chemistry, 26, 2020
6KH3
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BU of 6kh3 by Molmil
Design and crystal structure of protein MOFs with ferritin nanocages as linkers and nickel clusters as nodes
Descriptor: FE (III) ION, Ferritin, NICKEL (II) ION
Authors:Gu, C, Chen, H, Wang, Y, Zhang, T, Wang, H, Zhao, G.
Deposit date:2019-07-12
Release date:2020-01-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Insight into Binary Protein Metal-Organic Frameworks with Ferritin Nanocages as Linkers and Nickel Clusters as Nodes.
Chemistry, 26, 2020
6KH5
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BU of 6kh5 by Molmil
Design and crystal structure of protein MOFs with ferritin nanocages as linkers and nickel clusters as nodes
Descriptor: FE (III) ION, Ferritin, NICKEL (II) ION
Authors:Gu, C, Chen, H, Wang, Y, Zhang, T, Wang, H, Zhao, G.
Deposit date:2019-07-12
Release date:2020-01-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.294 Å)
Cite:Structural Insight into Binary Protein Metal-Organic Frameworks with Ferritin Nanocages as Linkers and Nickel Clusters as Nodes.
Chemistry, 26, 2020
6KH0
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BU of 6kh0 by Molmil
Design and crystal structure of protein MOFs with ferritin nanocages as linkers and nickel clusters as nodes
Descriptor: FE (III) ION, Ferritin
Authors:Gu, C, Zhang, T, Zhao, G.
Deposit date:2019-07-12
Release date:2020-01-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Insight into Binary Protein Metal-Organic Frameworks with Ferritin Nanocages as Linkers and Nickel Clusters as Nodes.
Chemistry, 26, 2020
6LBC
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BU of 6lbc by Molmil
shrimp ferritin-T158R
Descriptor: FE (III) ION, Ferritin
Authors:Zhao, G, Chen, H, Zhang, T.
Deposit date:2019-11-14
Release date:2020-11-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.801 Å)
Cite:Construction of thermally robust and porous shrimp ferritin crystalline for molecular encapsulation through intermolecular arginine-arginine attractions.
Food Chem, 349, 2021
6VPT
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BU of 6vpt by Molmil
Crystal structure and mechanistic molecular modeling studies of Rv3377c: the Mycobacterium tuberculosis diterpene cyclase
Descriptor: Cyclase
Authors:Zhang, T, Prach, L, DiMaio, F, Siegel, J.
Deposit date:2020-02-04
Release date:2020-12-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.718 Å)
Cite:Crystal Structure and Mechanistic Molecular Modeling Studies of Mycobacterium tuberculosis Diterpene Cyclase Rv3377c.
Biochemistry, 59, 2020
4ZAE
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BU of 4zae by Molmil
Development of a novel class of potent and selective FIXa inhibitors
Descriptor: 2,6-dichloro-N-[(2R)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-phenylethyl]-4-(4H-1,2,4-triazol-4-yl)benzamide, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Coagulation factor IX, ...
Authors:Hruza, A, Reichert, P.
Deposit date:2015-04-13
Release date:2015-06-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Development of a novel class of potent and selective FIXa inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
3V6S
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BU of 3v6s by Molmil
Discovery of potent and selective covalent inhibitors of JNK
Descriptor: 3-{[4-(dimethylamino)butanoyl]amino}-N-(4-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}phenyl)benzamide, Mitogen-activated protein kinase 10
Authors:Park, H, Laughlin, J.D, LoGrasso, P.V.
Deposit date:2011-12-20
Release date:2012-02-01
Last modified:2012-07-25
Method:X-RAY DIFFRACTION (2.97 Å)
Cite:Discovery of potent and selective covalent inhibitors of JNK.
Chem.Biol., 19, 2012
3V6R
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BU of 3v6r by Molmil
Discovery of potent and selective covalent inhibitors of JNK
Descriptor: 4-{[4-(dimethylamino)butanoyl]amino}-N-(3-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}phenyl)benzamide, Mitogen-activated protein kinase 10
Authors:Park, H, LoGrasso, P.V, Laughlin, J.D.
Deposit date:2011-12-20
Release date:2012-02-01
Last modified:2012-07-25
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Discovery of potent and selective covalent inhibitors of JNK.
Chem.Biol., 19, 2012
5ACB
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BU of 5acb by Molmil
Crystal Structure of the Human Cdk12-Cyclink Complex
Descriptor: CYCLIN-DEPENDENT KINASE 12, CYCLIN-K, N-[4-[(3R)-3-[[5-chloranyl-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidin-1-yl]carbonylphenyl]-4-(dimethylamino)butanamide
Authors:Dixon Clarke, S.E, Elkins, J.M, Pike, A.C.W, Mackenzie, A, Goubin, S, Strain-Damerell, C, Mahajan, P, Tallant, C, Chalk, R, Wiggers, H, Kopec, J, Fitzpatrick, F, Burgess-Brown, N, Carpenter, E.P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.
Deposit date:2015-08-14
Release date:2016-06-15
Last modified:2016-10-05
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Covalent Targeting of Remote Cysteine Residues to Develop Cdk12 and Cdk13 Inhibitors.
Nat.Chem.Biol., 12, 2016
6VBI
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BU of 6vbi by Molmil
crystal structure of PDE5 in complex with a non-competitive inhibitor
Descriptor: (13bS)-4,9-dimethoxy-14-methyl-8,13,13b,14-tetrahydroindolo[2',3':3,4]pyrido[2,1-b]quinazolin-5(7H)-one, cGMP-specific 3',5'-cyclic phosphodiesterase
Authors:Ke, H, Luo, H.B.
Deposit date:2019-12-18
Release date:2021-01-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.30000758 Å)
Cite:Identification of a novel allosteric pocket and its regulation mechanism
To Be Published
6FOC
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BU of 6foc by Molmil
F1-ATPase from Mycobacterium smegmatis
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATP synthase epsilon chain, ATP synthase gamma chain, ...
Authors:Zhang, T, Montgomery, M.G, Leslie, A.G.W, Cook, G.M, Walker, J.E.
Deposit date:2018-02-06
Release date:2019-01-23
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (4 Å)
Cite:The structure of the catalytic domain of the ATP synthase fromMycobacterium smegmatisis a target for developing antitubercular drugs.
Proc.Natl.Acad.Sci.USA, 116, 2019
7ZTB
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BU of 7ztb by Molmil
Structure of the Salmonella tRNA pyrophosphokinase CapRel
Descriptor: CHLORIDE ION, RelA/SpoT family protein, SODIUM ION
Authors:Garcia-Pino, A.
Deposit date:2022-05-09
Release date:2022-11-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.312 Å)
Cite:Direct activation of a bacterial innate immune system by a viral capsid protein.
Nature, 612, 2022
7XDQ
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BU of 7xdq by Molmil
Crystal structure of a glucosylglycerol phosphorylase mutant from Marinobacter adhaerens
Descriptor: Glucosylglycerol phosphorylase, LITHIUM ION, beta-D-glucopyranose
Authors:Wei, H.L, Li, Q, Yang, J.G, Liu, W.D, Sun, Y.X.
Deposit date:2022-03-28
Release date:2023-02-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.83 Å)
Cite:Protein Engineering of Glucosylglycerol Phosphorylase Facilitating Efficient and Highly Regio- and Stereoselective Glycosylation of Polyols in a Synthetic System.
Acs Catalysis, 2022
7XDR
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BU of 7xdr by Molmil
Crystal structure of a glucosylglycerol phosphorylase from Marinobacter adhaerens
Descriptor: Glucosylglycerol phosphorylase
Authors:Wei, H.L, Li, Q, Yang, J.G, Liu, W.D, Sun, Y.X.
Deposit date:2022-03-28
Release date:2023-02-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Protein Engineering of Glucosylglycerol Phosphorylase Facilitating Efficient and Highly Regio- and Stereoselective Glycosylation of Polyols in a Synthetic System.
Acs Catalysis, 2022
7X98
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BU of 7x98 by Molmil
5-Aminolevulinate synthase HemA from Rhodopseudomonas palustris
Descriptor: 5-aminolevulinate synthase
Authors:Zhang, T.T, Liu, H.P.
Deposit date:2022-03-15
Release date:2023-03-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structure of 5-Aminolevulinate synthase HemA from Rhodopseudomonas palustris presents multiple conformations.
Biochem.Biophys.Res.Commun., 609, 2022
1C94
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BU of 1c94 by Molmil
REVERSING THE SEQUENCE OF THE GCN4 LEUCINE ZIPPER DOES NOT AFFECT ITS FOLD.
Descriptor: RETRO-GCN4 LEUCINE ZIPPER
Authors:Mittl, P.R.E, Deillon, C.A, Sargent, D, Liu, N, Klauser, S, Thomas, R.M, Gutte, B, Gruetter, M.G.
Deposit date:1999-07-30
Release date:2000-03-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:The retro-GCN4 leucine zipper sequence forms a stable three-dimensional structure.
Proc.Natl.Acad.Sci.USA, 97, 2000
6NIF
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BU of 6nif by Molmil
crystal structure of human REV7-RAN complex
Descriptor: hREV7, GTP-binding nuclear protein Ran, hREV3 fusion
Authors:Wang, X, Pertz, L, Hua, D.P, Zhang, T.Q, Listovsky, T, Xie, W.
Deposit date:2018-12-27
Release date:2019-09-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.002 Å)
Cite:REV7 has a dynamic adaptor region to accommodate small GTPase RAN/ShigellaIpaB ligands, and its activity is regulated by the RanGTP/GDP switch.
J.Biol.Chem., 294, 2019
8IVA
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BU of 8iva by Molmil
Cryo-EM structure of SARS-CoV-2 spike protein in complex with double nAbs XMA01 and 3E2 (local refinement)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, heavy chain of 3E2, ...
Authors:Sun, H, Jiang, Y, Zheng, Q, Li, S, Xia, N.
Deposit date:2023-03-26
Release date:2023-08-16
Last modified:2024-02-14
Method:ELECTRON MICROSCOPY (3.95 Å)
Cite:Two antibodies show broad, synergistic neutralization against SARS-CoV-2 variants by inducing conformational change within the RBD.
Protein Cell, 15, 2024
8IV4
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BU of 8iv4 by Molmil
Cryo-EM structure of SARS-CoV-2 spike protein in complex with double nAbs 8H12 and 3E2 (local refinement)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, heavy chain of 3E2, ...
Authors:Sun, H, Jiang, Y, Zheng, Q, Li, S, Xia, N.
Deposit date:2023-03-26
Release date:2023-08-16
Last modified:2024-02-14
Method:ELECTRON MICROSCOPY (3.59 Å)
Cite:Two antibodies show broad, synergistic neutralization against SARS-CoV-2 variants by inducing conformational change within the RBD.
Protein Cell, 15, 2024
8IV5
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BU of 8iv5 by Molmil
Cryo-EM structure of SARS-CoV-2 spike protein in complex with double nAbs 8H12 and 1C4 (local refinement)
Descriptor: Spike protein S1, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, heavy chain of 1C4, ...
Authors:Sun, H, Jiang, Y, Zheng, Q, Li, S, Xia, N.
Deposit date:2023-03-26
Release date:2023-08-16
Last modified:2024-02-14
Method:ELECTRON MICROSCOPY (3.77 Å)
Cite:Two antibodies show broad, synergistic neutralization against SARS-CoV-2 variants by inducing conformational change within the RBD.
Protein Cell, 15, 2024

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