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7CN4
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BU of 7cn4 by Molmil
Cryo-EM structure of bat RaTG13 spike glycoprotein
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:Wang, X, Zhang, S, Qiao, S, Yu, J, Zeng, J, Tian, L.
Deposit date:2020-07-30
Release date:2021-03-03
Last modified:2021-03-24
Method:ELECTRON MICROSCOPY (2.93 Å)
Cite:Bat and pangolin coronavirus spike glycoprotein structures provide insights into SARS-CoV-2 evolution.
Nat Commun, 12, 2021
7C8V
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BU of 7c8v by Molmil
Structure of sybody SR4 in complex with the SARS-CoV-2 S Receptor Binding domain (RBD)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Spike protein S1, ...
Authors:Li, T, Yao, H, Cai, H, Qin, W, Li, D.
Deposit date:2020-06-03
Release date:2020-06-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:A synthetic nanobody targeting RBD protects hamsters from SARS-CoV-2 infection.
Nat Commun, 12, 2021
7C8W
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BU of 7c8w by Molmil
Structure of sybody MR17 in complex with the SARS-CoV-2 S receptor-binding domain (RBD)
Descriptor: GLYCEROL, Spike protein S1, Synthetic nanobody MR17, ...
Authors:Li, T, Cai, H, Yao, H, Qin, W, Li, D.
Deposit date:2020-06-03
Release date:2020-06-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.77 Å)
Cite:A synthetic nanobody targeting RBD protects hamsters from SARS-CoV-2 infection.
Nat Commun, 12, 2021
7CAN
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BU of 7can by Molmil
Structure of sybody MR17-K99Y in complex with the SARS-CoV-2 S Receptor-binding domain (RBD)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Spike protein S1, ...
Authors:Li, T, Yao, H, Cai, H, Qin, W, Li, D.
Deposit date:2020-06-09
Release date:2020-06-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.94 Å)
Cite:A synthetic nanobody targeting RBD protects hamsters from SARS-CoV-2 infection.
Nat Commun, 12, 2021
8H0F
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BU of 8h0f by Molmil
Crystal structure of collagen heterotrimer with KD,ER and KE axial pairs
Descriptor: collagen-like peptide chain A, collagen-like peptide chain B, collagen-like peptide chain C
Authors:Fan, S.
Deposit date:2022-09-28
Release date:2023-07-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Stability of collagen heterotrimer with same charge pattern and different charged residue identities.
Biophys.J., 122, 2023
8H0E
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BU of 8h0e by Molmil
Crystal structure of collagen heterotrimer with KD, ER and KE axial pairs
Descriptor: collagen-like peptide chain A, collagen-like peptide chain B, collagen-like peptide chain C
Authors:Fan, S.
Deposit date:2022-09-28
Release date:2023-07-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Stability of collagen heterotrimer with same charge pattern and different charged residue identities.
Biophys.J., 122, 2023
6KMO
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BU of 6kmo by Molmil
Crystal structure of a novel esterase CinB from Enterobacter asburiae
Descriptor: Alpha/beta hydrolase
Authors:Shang, F, Xu, Y.
Deposit date:2019-07-31
Release date:2019-09-04
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structural and functional analyses of the lipase CinB from Enterobacter asburiae.
Biochem.Biophys.Res.Commun., 519, 2019
2P2H
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BU of 2p2h by Molmil
Crystal structure of the VEGFR2 kinase domain in complex with a pyridinyl-triazine inhibitor
Descriptor: 4-(2-anilinopyridin-3-yl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine, Vascular endothelial growth factor receptor 2
Authors:Whittington, D.A, Kim, J.L, Long, A.M, Rose, P, Gu, Y, Zhao, H.
Deposit date:2007-03-07
Release date:2007-03-20
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Evolution of a Highly Selective and Potent 2-(Pyridin-2-yl)-1,3,5-triazine Tie-2 Kinase Inhibitor
J.Med.Chem., 50, 2007
2P4I
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BU of 2p4i by Molmil
Evolution of a highly Selective and Potent 2-(Pyridin-2-yl)-1,3,5-triazine Tie-2 Kinase Inhibitor
Descriptor: 4-METHYL-3-({3-[2-(METHYLAMINO)PYRIMIDIN-4-YL]PYRIDIN-2-YL}OXY)-N-[2-MORPHOLIN-4-YL-5-(TRIFLUOROMETHYL)PHENYL]BENZAMIDE, Angiopoietin-1 receptor
Authors:Bellon, S.F.
Deposit date:2007-03-12
Release date:2007-03-20
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Evolution of a highly selective and potent 2-(pyridin-2-yl)-1,3,5-triazine Tie-2 kinase inhibitor.
J.Med.Chem., 50, 2007
2P2I
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BU of 2p2i by Molmil
Crystal structure of the VEGFR2 kinase domain in complex with a nicotinamide inhibitor
Descriptor: N-(4-phenoxyphenyl)-2-[(pyridin-4-ylmethyl)amino]nicotinamide, Vascular endothelial growth factor receptor 2
Authors:Whittington, D.A, Kim, J.L, Long, A.M, Rose, P, Gu, Y, Zhao, H.
Deposit date:2007-03-07
Release date:2007-03-20
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Evolution of a Highly Selective and Potent 2-(Pyridin-2-yl)-1,3,5-triazine Tie-2 Kinase Inhibitor
J.Med.Chem., 50, 2007
5YAN
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BU of 5yan by Molmil
Deconstructing the Salt-Bridge Network of a Computationally Designed Collagen Heterotrimer
Descriptor: Collagen
Authors:Fan, S.
Deposit date:2017-09-01
Release date:2018-06-13
Last modified:2018-12-26
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:How electrostatic networks modulate specificity and stability of collagen.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
8GZO
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BU of 8gzo by Molmil
Crystal structure of collagen heterotrimer with K, D, E, R residuesC
Descriptor: collagen-like peptide
Authors:Fan, S.
Deposit date:2022-09-27
Release date:2023-07-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.23 Å)
Cite:Stability of collagen heterotrimer with same charge pattern and different charged residue identities.
Biophys.J., 122, 2023
4N70
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BU of 4n70 by Molmil
Pim1 Complexed with a pyridylcarboxamide
Descriptor: N-{4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]pyridin-3-yl}-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide, Serine/threonine-protein kinase pim-1
Authors:Bellamacina, C.R, Le, V, Shu, W, Burger, M.T, Bussiere, D.
Deposit date:2013-10-14
Release date:2013-11-06
Last modified:2014-07-02
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure Guided Optimization, in Vitro Activity, and in Vivo Activity of Pan-PIM Kinase Inhibitors.
ACS Med Chem Lett, 4, 2013
4N6Y
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BU of 4n6y by Molmil
Pim1 Complexed with a phenylcarboxamide
Descriptor: 2-(acetylamino)-N-[2-(piperidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide, Serine/threonine-protein kinase pim-1
Authors:Bellamacina, C.R, Le, V, Shu, W, Burger, M.T, Bussiere, D.
Deposit date:2013-10-14
Release date:2013-11-06
Last modified:2014-07-02
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure Guided Optimization, in Vitro Activity, and in Vivo Activity of Pan-PIM Kinase Inhibitors.
ACS Med Chem Lett, 4, 2013
7RUN
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BU of 7run by Molmil
Crystal structure of phosphorylated RET tyrosine kinase domain complexed with a pyrrolo[2,3-d]pyrimidine inhibitor.
Descriptor: 1-(4-{(1s,3s)-3-[4-amino-5-(3-amino-4-chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl]cyclobutyl}piperazin-1-yl)ethan-1-one, CHLORIDE ION, Proto-oncogene tyrosine-protein kinase receptor Ret
Authors:Lee, C.C, Spraggon, G.
Deposit date:2021-08-17
Release date:2022-01-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.51 Å)
Cite:Antitarget Selectivity and Tolerability of Novel Pyrrolo[2,3- d ]pyrimidine RET Inhibitors.
Acs Med.Chem.Lett., 12, 2021
6J11
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BU of 6j11 by Molmil
MERS-CoV spike N-terminal domain and 7D10 scFv 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, N-terminal domain of Spike glycoprotein, ...
Authors:Zhou, H, Zhang, S, Zhang, S, Tang, W, Wang, X.
Deposit date:2018-12-27
Release date:2019-07-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural definition of a neutralization epitope on the N-terminal domain of MERS-CoV spike glycoprotein.
Nat Commun, 10, 2019
6K5E
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BU of 6k5e by Molmil
Crystal structure of BioH from Klebsiella pneumonia
Descriptor: Pimeloyl-[acyl-carrier protein] methyl ester esterase
Authors:Wang, L, Chen, Y.
Deposit date:2019-05-28
Release date:2019-07-17
Last modified:2020-05-06
Method:X-RAY DIFFRACTION (2.257 Å)
Cite:Structural insight into the carboxylesterase BioH from Klebsiella pneumoniae.
Biochem.Biophys.Res.Commun., 520, 2019
5ITD
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BU of 5itd by Molmil
Crystal structure of PI3K alpha with PI3K delta inhibitor
Descriptor: 5-{4-[3-(4-acetylpiperazine-1-carbonyl)phenyl]quinazolin-6-yl}-2-methoxypyridine-3-carbonitrile, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Authors:Knapp, M.S, Elling, R.A.
Deposit date:2016-03-16
Release date:2016-09-07
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.02 Å)
Cite:Discovery and Pharmacological Characterization of Novel Quinazoline-Based PI3K Delta-Selective Inhibitors.
Acs Med.Chem.Lett., 7, 2016
5IGJ
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BU of 5igj by Molmil
Macrolide 2'-phosphotransferase type I - complex with guanosine and clarithromycin
Descriptor: CLARITHROMYCIN, GUANOSINE, ISOPROPYL ALCOHOL, ...
Authors:Berghuis, A.M, Fong, D.H.
Deposit date:2016-02-28
Release date:2017-04-26
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural Basis for Kinase-Mediated Macrolide Antibiotic Resistance.
Structure, 25, 2017
5IGW
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BU of 5igw by Molmil
Macrolide 2'-phosphotransferase type II - complex with GDP and clarithromycin
Descriptor: CLARITHROMYCIN, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Berghuis, A.M, Fong, D.H.
Deposit date:2016-02-28
Release date:2017-04-26
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.096 Å)
Cite:Structural Basis for Kinase-Mediated Macrolide Antibiotic Resistance.
Structure, 25, 2017
5IGI
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BU of 5igi by Molmil
Macrolide 2'-phosphotransferase type I - complex with guanosine and azithromycin
Descriptor: AZITHROMYCIN, GUANOSINE, ISOPROPYL ALCOHOL, ...
Authors:Berghuis, A.M, Fong, D.H.
Deposit date:2016-02-28
Release date:2017-04-26
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Structural Basis for Kinase-Mediated Macrolide Antibiotic Resistance.
Structure, 25, 2017
5IGT
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BU of 5igt by Molmil
Macrolide 2'-phosphotransferase type I - complex with guanosine and erythromycin
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ERYTHROMYCIN A, GUANOSINE, ...
Authors:Berghuis, A.M, Fong, D.H.
Deposit date:2016-02-28
Release date:2017-04-26
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Structural Basis for Kinase-Mediated Macrolide Antibiotic Resistance.
Structure, 25, 2017
5IS5
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BU of 5is5 by Molmil
Discovery and Pharmacological Characterization of Novel Quinazoline-based PI3K delta-selective Inhibitors
Descriptor: 5-{4-[3-(4-acetylpiperazine-1-carbonyl)phenyl]quinazolin-6-yl}-2-methoxypyridine-3-carbonitrile, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
Authors:Gutmann, S, Rummel, G, Shrestha, B.
Deposit date:2016-03-15
Release date:2016-08-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Discovery and Pharmacological Characterization of Novel Quinazoline-Based PI3K Delta-Selective Inhibitors.
Acs Med.Chem.Lett., 7, 2016
5IGP
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BU of 5igp by Molmil
Macrolide 2'-phosphotransferase type I - complex with GDP and erythromycin
Descriptor: ERYTHROMYCIN A, GUANOSINE-5'-DIPHOSPHATE, ISOPROPYL ALCOHOL, ...
Authors:Berghuis, A.M, Fong, D.H.
Deposit date:2016-02-28
Release date:2017-04-26
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural Basis for Kinase-Mediated Macrolide Antibiotic Resistance.
Structure, 25, 2017
5IGZ
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BU of 5igz by Molmil
Macrolide 2'-phosphotransferase type II - complex with GDP and spiramycin
Descriptor: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Macrolide 2'-phosphotransferase II, ...
Authors:Berghuis, A.M, Fong, D.H.
Deposit date:2016-02-28
Release date:2017-04-26
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural Basis for Kinase-Mediated Macrolide Antibiotic Resistance.
Structure, 25, 2017

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