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4MQ2
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BU of 4mq2 by Molmil
The crystal structure of DYRK1a with a bound pyrido[2,3-d]pyrimidine inhibitor
Descriptor: Dual specificity tyrosine-phosphorylation-regulated kinase 1A, PENTAETHYLENE GLYCOL, SULFATE ION, ...
Authors:Lukacs, C.M, Janson, C.A, Garvie, C, Liang, L.
Deposit date:2013-09-15
Release date:2013-12-11
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Pyrido[2,3-d]pyrimidines: Discovery and preliminary SAR of a novel series of DYRK1B and DYRK1A inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
5X4S
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BU of 5x4s by Molmil
Structure of the N-terminal domain (NTD)of SARS-CoV spike protein
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:Yuan, Y, Zhang, Y, Qi, J, Shi, Y, Gao, G.F.
Deposit date:2017-02-14
Release date:2017-05-03
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Cryo-EM structures of MERS-CoV and SARS-CoV spike glycoproteins reveal the dynamic receptor binding domains
Nat Commun, 8, 2017
3W0F
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BU of 3w0f by Molmil
Crystal structure of mouse Endonuclease VIII-LIKE 3 (mNEIL3)
Descriptor: Endonuclease 8-like 3, IODIDE ION, ZINC ION
Authors:Liu, M, Imamura, K, Averill, A.M, Wallace, S.S, Doublie, S.
Deposit date:2012-10-30
Release date:2013-01-16
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Characterization of a Mouse Ortholog of Human NEIL3 with a Marked Preference for Single-Stranded DNA
Structure, 21, 2013
4P3K
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BU of 4p3k by Molmil
Structure of ancestral PyrR protein (PLUMPyrR)
Descriptor: Ancestral PyrR protein (Plum), PENTAETHYLENE GLYCOL, SODIUM ION, ...
Authors:Perica, T, Kondo, Y, Tiwari, S, McLaughlin, S, Steward, A, Reuter, N, Clarke, J, Teichmann, S.A.
Deposit date:2014-03-08
Release date:2014-12-17
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Evolution of oligomeric state through allosteric pathways that mimic ligand binding.
Science, 346, 2014
8HQ6
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BU of 8hq6 by Molmil
KL2 in complex with CRM1-Ran-RanBP1
Descriptor: CHLORIDE ION, CRM1 isoform 1, DIMETHYL SULFOXIDE, ...
Authors:Sun, Q, Jian, L.
Deposit date:2022-12-13
Release date:2023-10-25
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Discovery of Aminoratjadone Derivatives as Potent Noncovalent CRM1 Inhibitors.
J.Med.Chem., 66, 2023
8HQ3
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BU of 8hq3 by Molmil
KL1 in complex with CRM1-Ran-RanBP1
Descriptor: CHLORIDE ION, CRM1 isoform 1, DIMETHYL SULFOXIDE, ...
Authors:Sun, Q, Jian, L.
Deposit date:2022-12-13
Release date:2023-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery of Aminoratjadone Derivatives as Potent Noncovalent CRM1 Inhibitors.
J.Med.Chem., 66, 2023
7CU8
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BU of 7cu8 by Molmil
Crystal structure of the soluble domain of TiME protein from Mycobacterium tuberculosis
Descriptor: SULFATE ION, Tube-forming protein in Mycobacterial Envelope (TiME)
Authors:Gong, W, Cai, X, Liu, L, Wen, C.
Deposit date:2020-08-21
Release date:2021-08-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Identification and architecture of a putative secretion tube across mycobacterial outer envelope.
Sci Adv, 7, 2021
7CU9
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BU of 7cu9 by Molmil
Crystal structure of the soluble domain of TiME protein from Mycobacterium smegmatis
Descriptor: GLYCEROL, MAGNESIUM ION, Tube-forming protein in Mycobacterial Envelpe, ...
Authors:Gong, W, Cai, X, Liu, L, Wen, C.
Deposit date:2020-08-21
Release date:2021-08-25
Last modified:2022-03-16
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Identification and architecture of a putative secretion tube across mycobacterial outer envelope.
Sci Adv, 7, 2021
4P80
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BU of 4p80 by Molmil
Structure of ancestral PyrR protein (AncGREENPyrR)
Descriptor: Ancestral PyrR protein (Green), SULFATE ION
Authors:Perica, T, Kondo, Y, Tiwari, S, McLaughlin, S, Steward, A, Reuter, N, Clarke, J, Teichmann, S.A.
Deposit date:2014-03-29
Release date:2014-12-17
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Evolution of oligomeric state through allosteric pathways that mimic ligand binding.
Science, 346, 2014
4PH2
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BU of 4ph2 by Molmil
mature N-terminal domain of capsid protein from bovine leukemia virus
Descriptor: BLV capsid - N-terminal domain, GLYCEROL, SULFATE ION
Authors:Trajtenberg, F, Obal, G, Pritsch, O, Buschiazzo, A.
Deposit date:2014-05-03
Release date:2015-06-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:STRUCTURAL VIROLOGY. Conformational plasticity of a native retroviral capsid revealed by x-ray crystallography.
Science, 349, 2015
5KDI
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BU of 5kdi by Molmil
How FAPP2 Selects Simple Glycosphingolipids Using the GLTP-fold
Descriptor: (~{Z})-~{N}-[(~{E},2~{S},3~{R})-1-[(2~{R},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-octadec-4-en-2-yl]octadec-9-enamide, Pleckstrin homology domain-containing family A member 8
Authors:Ochoa-Lizarralde, B, Popov, A.N, Samygina, V.R, Patel, D.J, Brown, R.E, Malinina, L.
Deposit date:2016-06-08
Release date:2017-12-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structural analyses of 4-phosphate adaptor protein 2 yield mechanistic insights into sphingolipid recognition by the glycolipid transfer protein family.
J.Biol.Chem., 293, 2018
4P81
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BU of 4p81 by Molmil
Structure of ancestral PyrR protein (AncORANGEPyrR)
Descriptor: Ancestral PyrR protein (Orange), GLYCEROL, SULFATE ION
Authors:Perica, T, Kondo, Y, Tiwari, S, McLaughlin, S, Steward, A, Reuter, N, Clarke, J, Teichmann, S.A.
Deposit date:2014-03-29
Release date:2014-12-17
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Evolution of oligomeric state through allosteric pathways that mimic ligand binding.
Science, 346, 2014
4P82
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BU of 4p82 by Molmil
Structure of PyrR protein from Bacillus subtilis
Descriptor: Bifunctional protein PyrR, SULFATE ION
Authors:Perica, T, Kondo, Y, Tiwari, S, McLaughlin, S, Steward, A, Reuter, N, Clarke, J, Teichmann, S.A.
Deposit date:2014-03-30
Release date:2014-12-17
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Evolution of oligomeric state through allosteric pathways that mimic ligand binding.
Science, 346, 2014
4P86
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BU of 4p86 by Molmil
Structure of PyrR protein from Bacillus subtilis with GMP
Descriptor: Bifunctional protein PyrR, GLYCEROL, GUANOSINE-5'-MONOPHOSPHATE
Authors:Perica, T, Kondo, Y, Tiwari, S, McLaughlin, S, Steward, A, Reuter, N, Clarke, J, Teichmann, S.A.
Deposit date:2014-03-30
Release date:2014-12-17
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Evolution of oligomeric state through allosteric pathways that mimic ligand binding.
Science, 346, 2014
7W0S
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BU of 7w0s by Molmil
TRIM7 in complex with C-terminal peptide of 2C
Descriptor: DI(HYDROXYETHYL)ETHER, E3 ubiquitin-protein ligase TRIM7, GLYCEROL, ...
Authors:Zhang, H, Liang, X, Li, X.Z.
Deposit date:2021-11-18
Release date:2022-08-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:A C-terminal glutamine recognition mechanism revealed by E3 ligase TRIM7 structures.
Nat.Chem.Biol., 18, 2022
7W0Q
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BU of 7w0q by Molmil
TRIM7 in complex with C-terminal peptide of 2C
Descriptor: E3 ubiquitin-protein ligase TRIM7, peptide
Authors:Zhang, H, Liang, X, Li, X.Z.
Deposit date:2021-11-18
Release date:2022-08-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:A C-terminal glutamine recognition mechanism revealed by E3 ligase TRIM7 structures.
Nat.Chem.Biol., 18, 2022
7W0T
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BU of 7w0t by Molmil
TRIM7 in complex with C-terminal peptide of 2C
Descriptor: E3 ubiquitin-protein ligase TRIM7, peptide
Authors:Zhang, H, Liang, X, Li, X.Z.
Deposit date:2021-11-18
Release date:2022-08-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:A C-terminal glutamine recognition mechanism revealed by E3 ligase TRIM7 structures.
Nat.Chem.Biol., 18, 2022
7ESD
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BU of 7esd by Molmil
Mature Donggang virus
Descriptor: Genome polyprotein
Authors:Zhang, Y, Liang, D.
Deposit date:2021-05-10
Release date:2022-05-18
Last modified:2022-06-29
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Replication is the key barrier during the dual-host adaptation of mosquito-borne flaviviruses.
Proc.Natl.Acad.Sci.USA, 119, 2022
6K9R
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BU of 6k9r by Molmil
Crystal Structure Analysis of Endo-beta-1,4-xylanase II Complexed with Xylotriose
Descriptor: Endo-1,4-beta-xylanase 2, IODIDE ION, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose
Authors:Li, C, Wan, Q.
Deposit date:2019-06-17
Release date:2020-07-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Studying the Role of a Single Mutation of a Family 11 Glycoside Hydrolase Using High-Resolution X-ray Crystallography.
Protein J., 39, 2020
2HU5
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BU of 2hu5 by Molmil
Binding of inhibitors by Acylaminoacyl-peptidase
Descriptor: Acylamino-acid-releasing enzyme, GLYCEROL, GLYCINE, ...
Authors:Kiss, A.L, Hornung, B, Radi, K, Gengeliczki, Z, Sztaray, B, Harmat, V, Polgar, L.
Deposit date:2006-07-26
Release date:2007-05-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:The Acylaminoacyl Peptidase from Aeropyrum pernix K1 Thought to Be an Exopeptidase Displays Endopeptidase Activity
J.Mol.Biol., 368, 2007
4P83
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BU of 4p83 by Molmil
Structure of engineered PyrR protein (PURPLE PyrR)
Descriptor: Engineered PyrR protein (Purple), URIDINE-5'-MONOPHOSPHATE
Authors:Perica, T, Kondo, Y, Tiwari, S, McLaughlin, S, Steward, A, Reuter, N, Clarke, J, Teichmann, S.A.
Deposit date:2014-03-30
Release date:2014-12-17
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Evolution of oligomeric state through allosteric pathways that mimic ligand binding.
Science, 346, 2014
7WJQ
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BU of 7wjq by Molmil
Crystal structure of GSDMB in complex with Ipah7.8
Descriptor: Isoform 2 of Gasdermin-B, Probable E3 ubiquitin-protein ligase ipaH7.8
Authors:Li, X, Zhang, H, Yin, H.
Deposit date:2022-01-07
Release date:2023-01-11
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Insights into the GSDMB-mediated cellular lysis and its targeting by IpaH7.8
Nat Commun, 14, 2023
4PH0
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BU of 4ph0 by Molmil
capsid protein from bovine leukemia virus
Descriptor: BLV capsid
Authors:Trajtenberg, F, Obal, G, Pritsch, O, Buschiazzo, A.
Deposit date:2014-05-03
Release date:2015-06-10
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.7497 Å)
Cite:STRUCTURAL VIROLOGY. Conformational plasticity of a native retroviral capsid revealed by x-ray crystallography.
Science, 349, 2015
4P84
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BU of 4p84 by Molmil
Structure of engineered PyrR protein (VIOLET PyrR)
Descriptor: Bifunctional protein PyrR, GLYCEROL, SULFATE ION
Authors:Perica, T, Kondo, Y, Tiwari, S, McLaughlin, S, Steward, A, Reuter, N, Clarke, J, Teichmann, S.A.
Deposit date:2014-03-30
Release date:2014-12-17
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Evolution of oligomeric state through allosteric pathways that mimic ligand binding.
Science, 346, 2014
4PH3
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BU of 4ph3 by Molmil
N-terminal domain of the capsid protein from bovine leukaemia virus (with no beta-hairpin)
Descriptor: BLV capsid, GLYCEROL, IODIDE ION
Authors:Trajtenberg, F, Obal, G, Pritsch, O, Buschiazzo, A.
Deposit date:2014-05-03
Release date:2015-06-10
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:STRUCTURAL VIROLOGY. Conformational plasticity of a native retroviral capsid revealed by x-ray crystallography.
Science, 349, 2015

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