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5IPJ
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BU of 5ipj by Molmil
Crystal structure of human Pim-1 kinase in complex with a quinazolinone-pyrrolopyrrolone inhibitor.
Descriptor: 2-(tert-butylamino)-3-methyl-8-[(6R)-6-methyl-4-oxo-1,4,5,6-tetrahydropyrrolo[3,4-b]pyrrol-2-yl]quinazolin-4(3H)-one, GLYCEROL, Serine/threonine-protein kinase pim-1
Authors:Mohr, C.
Deposit date:2016-03-09
Release date:2016-06-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery and Optimization of Quinazolinone-pyrrolopyrrolones as Potent and Orally Bioavailable Pan-Pim Kinase Inhibitors.
J.Med.Chem., 59, 2016
8DY2
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BU of 8dy2 by Molmil
Crystal Structure of spFv GLK1
Descriptor: SULFATE ION, spFv GLK1 LH
Authors:Luo, J, Boucher, L.E.
Deposit date:2022-08-03
Release date:2023-05-03
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:"Stapling" scFv for multispecific biotherapeutics of superior properties.
Mabs, 15, 2023
8DY4
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BU of 8dy4 by Molmil
Crystal Structure of spFv CAT2200 HL
Descriptor: spFv CAT2200 HL
Authors:Luo, J, Boucher, L.E.
Deposit date:2022-08-03
Release date:2023-05-03
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:"Stapling" scFv for multispecific biotherapeutics of superior properties.
Mabs, 15, 2023
8DY0
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BU of 8dy0 by Molmil
Crystal Structure of spFv GLK1 HL
Descriptor: spFv GLK1 HL
Authors:Luo, J, Boucher, L.E.
Deposit date:2022-08-03
Release date:2023-05-03
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:"Stapling" scFv for multispecific biotherapeutics of superior properties.
Mabs, 15, 2023
8DY5
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BU of 8dy5 by Molmil
Crystal Structure of spFv CAT2200 LH in complex with IL-17A
Descriptor: CALCIUM ION, CHLORIDE ION, Interleukin-17A, ...
Authors:Luo, J, Boucher, L.E.
Deposit date:2022-08-03
Release date:2023-05-03
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:"Stapling" scFv for multispecific biotherapeutics of superior properties.
Mabs, 15, 2023
8DY3
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BU of 8dy3 by Molmil
Crystal Structure of spFv GLK2 HL
Descriptor: SULFATE ION, spFv GLK2 HL
Authors:Luo, J, Boucher, L.E.
Deposit date:2022-08-03
Release date:2023-05-03
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.509 Å)
Cite:"Stapling" scFv for multispecific biotherapeutics of superior properties.
Mabs, 15, 2023
8DY1
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BU of 8dy1 by Molmil
Crystal Structure of scFv CAT2200 LH in complex with IL-17A
Descriptor: Interleukin-17A, SULFATE ION, scFv CAT2200 LH
Authors:Luo, J, Armstrong, A.A.
Deposit date:2022-08-03
Release date:2023-05-03
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:"Stapling" scFv for multispecific biotherapeutics of superior properties.
Mabs, 15, 2023
5EOL
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BU of 5eol by Molmil
Crystal structure of human Pim-1 kinase in complex with a macrocyclic quinoxaline-pyrrolodihydropiperidinone inhibitor
Descriptor: GLYCEROL, Serine/threonine-protein kinase pim-1, macrocyclic quinoxaline-pyrrolodihydropiperidinone
Authors:Mohr, C.
Deposit date:2015-11-10
Release date:2016-05-04
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery and Optimization of Macrocyclic Quinoxaline-pyrrolo-dihydropiperidinones as Potent Pim-1/2 Kinase Inhibitors.
Acs Med.Chem.Lett., 7, 2016
8KA5
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BU of 8ka5 by Molmil
Arabidopsis AP endonuclease ARP complex with 20bp THF-containing DNA
Descriptor: 1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATE, DNA (43-MER), DNA-(apurinic or apyrimidinic site) endonuclease, ...
Authors:Guo, W.T, Wu, B.X.
Deposit date:2023-08-02
Release date:2024-02-21
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural insights into the catalytic mechanism of the AP endonuclease AtARP.
Structure, 32, 2024
8KA3
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BU of 8ka3 by Molmil
Arabidopsis AP endonuclease ARP complex with 22bp THF-containing DNA
Descriptor: 1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATE, DNA (43-MER), DNA-(apurinic or apyrimidinic site) endonuclease, ...
Authors:Guo, W.T, Wu, B.X.
Deposit date:2023-08-02
Release date:2024-02-21
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural insights into the catalytic mechanism of the AP endonuclease AtARP.
Structure, 32, 2024
8KA4
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BU of 8ka4 by Molmil
Arabidopsis AP endonuclease ARP complex with 21bp THF-containing DNA
Descriptor: 2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE, DNA-(apurinic or apyrimidinic site) endonuclease, chloroplastic, ...
Authors:Guo, W.T, Wu, B.X.
Deposit date:2023-08-02
Release date:2024-02-21
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural insights into the catalytic mechanism of the AP endonuclease AtARP.
Structure, 32, 2024
4Z55
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BU of 4z55 by Molmil
Anaplastic lymphoma kinase catalytic domain complexed with pyrazolopyrimidine derivative of LDK378
Descriptor: ALK tyrosine kinase receptor, GLYCEROL, N~6~-[5-methyl-4-(1-methylpiperidin-4-yl)-2-(propan-2-yloxy)phenyl]-N~4~-[2-(propan-2-ylsulfonyl)phenyl]-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
Authors:Lee, C.C, Spraggon, G.
Deposit date:2015-04-02
Release date:2016-02-03
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Design and synthesis of novel selective anaplastic lymphoma kinase inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
8WGV
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BU of 8wgv by Molmil
BA.2(S375) Spike (S6P)/hACE2 complex
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, ...
Authors:Wei, X, Zhang, Z.
Deposit date:2023-09-22
Release date:2024-02-28
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (2.92 Å)
Cite:The receptor binding domain of SARS-CoV-2 Omicron subvariants targets Siglec-9 to decrease its immunogenicity by preventing macrophage phagocytosis.
Nat.Immunol., 25, 2024
8WGW
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BU of 8wgw by Molmil
Local refinement of RBD-ACE2
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, ...
Authors:Wei, X, Zhang, Z.
Deposit date:2023-09-22
Release date:2024-02-28
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:The receptor binding domain of SARS-CoV-2 Omicron subvariants targets Siglec-9 to decrease its immunogenicity by preventing macrophage phagocytosis.
Nat.Immunol., 25, 2024
6IYF
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BU of 6iyf by Molmil
Structure of pSTING complex
Descriptor: (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, SULFATE ION, Stimulator of interferon genes protein
Authors:Yuan, Z.L, Shang, G.J, Cong, X.Y, Gu, L.C.
Deposit date:2018-12-15
Release date:2019-06-19
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.764 Å)
Cite:Crystal structures of porcine STINGCBD-CDN complexes reveal the mechanism of ligand recognition and discrimination of STING proteins.
J.Biol.Chem., 294, 2019
6A06
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BU of 6a06 by Molmil
Structure of pSTING complex
Descriptor: SULFATE ION, Stimulator of interferon genes protein, cGAMP
Authors:Yuan, Z.L, Shang, G.J, Cong, X.Y, Gu, L.C.
Deposit date:2018-06-05
Release date:2019-06-19
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.792 Å)
Cite:Crystal structures of porcine STINGCBD-CDN complexes reveal the mechanism of ligand recognition and discrimination of STING proteins.
J.Biol.Chem., 294, 2019
6A04
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BU of 6a04 by Molmil
Structure of pSTING complex
Descriptor: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), SULFATE ION, Stimulator of interferon genes protein
Authors:Yuan, Z.L, Shang, G.J, Cong, X.Y, Gu, L.C.
Deposit date:2018-06-05
Release date:2019-06-19
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structures of porcine STINGCBD-CDN complexes reveal the mechanism of ligand recognition and discrimination of STING proteins.
J.Biol.Chem., 294, 2019
6A05
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BU of 6a05 by Molmil
Structure of pSTING complex
Descriptor: 2-amino-9-[(2R,3R,3aR,5S,7aS,9R,10R,10aR,12R,14aS)-9-(6-amino-9H-purin-9-yl)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecin-2-yl]-1,9-dihydro-6H-purin-6-one, SULFATE ION, Stimulator of interferon genes protein
Authors:Yuan, Z.L, Shang, G.J, Cong, X.Y, Gu, L.C.
Deposit date:2018-06-05
Release date:2019-06-19
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structures of porcine STINGCBD-CDN complexes reveal the mechanism of ligand recognition and discrimination of STING proteins.
J.Biol.Chem., 294, 2019
6A03
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BU of 6a03 by Molmil
Structure of pSTING complex
Descriptor: (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, SULFATE ION, Stimulator of interferon genes protein
Authors:Yuan, Z.L, Shang, G.J, Cong, X.Y, Gu, L.C.
Deposit date:2018-06-05
Release date:2019-06-19
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.597 Å)
Cite:Crystal structures of porcine STINGCBD-CDN complexes reveal the mechanism of ligand recognition and discrimination of STING proteins.
J.Biol.Chem., 294, 2019
4WRS
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BU of 4wrs by Molmil
Crystal structure of human Pim-1 kinase in complex with an azaspiro pyrazinyl-indazole inhibitor.
Descriptor: 3-{6-[(4R)-6-azaspiro[2.5]oct-4-yloxy]pyrazin-2-yl}-5-(2,6-difluorophenyl)-1H-indazole, GLYCEROL, Serine/threonine-protein kinase pim-1
Authors:Mohr, C.
Deposit date:2014-10-25
Release date:2015-02-04
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The discovery of novel 3-(pyrazin-2-yl)-1H-indazoles as potent pan-Pim kinase inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
5KZI
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BU of 5kzi by Molmil
Crystal structure of human Pim-1 kinase in complex with an imidazopyridazine inhibitor.
Descriptor: Serine/threonine-protein kinase pim-1, ~{N}-[4-[(3~{S})-3-azanylpiperidin-1-yl]pyridin-3-yl]-2-[2,6-bis(fluoranyl)phenyl]imidazo[1,5-b]pyridazin-7-amine
Authors:Mohr, C.
Deposit date:2016-07-25
Release date:2016-11-09
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery of imidazopyridazines as potent Pim-1/2 kinase inhibitors.
Bioorg. Med. Chem. Lett., 26, 2016
8J3V
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BU of 8j3v by Molmil
Structure of the transmembrane domain of human PD-L2
Descriptor: Programmed cell death 1 ligand 2
Authors:OuYang, B, Zhang, Y.
Deposit date:2023-04-18
Release date:2024-03-13
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Deciphering Cholesterol's Role in PD-L2 Stability: A Distinct Regulatory Mechanism From PD-L1.
J.Mol.Biol., 436, 2024
1JDQ
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BU of 1jdq by Molmil
Solution Structure of TM006 Protein from Thermotoga maritima
Descriptor: HYPOTHETICAL PROTEIN TM0983
Authors:Denisov, A.Y, Finak, G, Yee, A, Kozlov, G, Gehring, K, Arrowsmith, C.H.
Deposit date:2001-06-14
Release date:2002-02-27
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:An NMR approach to structural proteomics.
Proc.Natl.Acad.Sci.USA, 99, 2002
1JCU
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BU of 1jcu by Molmil
Solution Structure of MTH1692 Protein from Methanobacterium thermoautotrophicum
Descriptor: conserved protein MTH1692
Authors:Kozlov, G, Ekiel, I, Gehring, K.
Deposit date:2001-06-11
Release date:2002-07-24
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:An NMR approach to structural proteomics.
Proc.Natl.Acad.Sci.USA, 99, 2002
1JRM
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BU of 1jrm by Molmil
NMR structure of MTH0637. Ontario Centre for Structural Proteomics target MTH0637_1_104; Northeast Structural Genomics Target TT135
Descriptor: CONSERVED HYPOTHETICAL PROTEIN mth637
Authors:Pineda-Lucena, A, Northeast Structural Genomics Consortium (NESG)
Deposit date:2001-08-14
Release date:2002-02-27
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:An NMR approach to structural proteomics.
Proc.Natl.Acad.Sci.USA, 99, 2002

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