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7FE5
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BU of 7fe5 by Molmil
AvmM Catalyzes Macrocyclization in Alchivemycin A Biosynthesis
Descriptor: AvmM, CACODYLATE ION, CHLORIDE ION
Authors:Zhang, B, Ge, H.M.
Deposit date:2021-07-19
Release date:2021-09-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:AvmM catalyses macrocyclization through dehydration/Michael-type addition in alchivemycin A biosynthesis.
Nat Commun, 13, 2022
7FE0
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BU of 7fe0 by Molmil
AvmM Catalyzes Macrocyclization in Alchivemycin A Biosynthesis
Descriptor: AvmM, CACODYLATE ION, CHLORIDE ION, ...
Authors:Zhang, B, Ge, H.M.
Deposit date:2021-07-19
Release date:2021-09-01
Last modified:2022-09-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:AvmM catalyses macrocyclization through dehydration/Michael-type addition in alchivemycin A biosynthesis.
Nat Commun, 13, 2022
5TWN
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BU of 5twn by Molmil
CRYSTAL STRUCTURE OF THE HEPATITIS C VIRUS NS5B RNA- DEPENDENT RNA POLYMERASE IN COMPLEX WITH 5-[3-(tert-butylcarbamoyl)phenyl]-6-(ethylamino)-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide
Descriptor: (2E)-3-(4-{[(1-{[(13-cyclohexyl-6-oxo-6,7-dihydro-5H-indolo[1,2-d][1,4]benzodiazepin-10-yl)carbonyl]amino}cyclopentyl)carbonyl]amino}phenyl)prop-2-enoic acid, 5-[3-(tert-butylcarbamoyl)phenyl]-6-(ethylamino)-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide, NS5B RNA- DEPENDENT RNA POLYMERASE, ...
Authors:Sheriff, S.
Deposit date:2016-11-14
Release date:2017-03-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.04 Å)
Cite:The discovery of a pan-genotypic, primer grip inhibitor of HCV NS5B polymerase.
Medchemcomm, 8, 2017
5TWM
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BU of 5twm by Molmil
CRYSTAL STRUCTURE OF THE HEPATITIS C VIRUS GENOTYPE 2A STRAIN JFH1 L30S NS5B RNA-DEPENDENT RNA POLYMERASE IN COMPLEX WITH 5-[3-(tert-butylcarbamoyl)phenyl]-6-(ethylamino)-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide
Descriptor: 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, 5-[3-(tert-butylcarbamoyl)phenyl]-6-(ethylamino)-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide, NS5B RNA-dependent RNA POLYMERASE, ...
Authors:Sheriff, S.
Deposit date:2016-11-14
Release date:2017-03-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:The discovery of a pan-genotypic, primer grip inhibitor of HCV NS5B polymerase.
Medchemcomm, 8, 2017
7XAB
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BU of 7xab by Molmil
Crystal structure of PDE4D catalytic domain complexed with compound 22d
Descriptor: 9-(cyclopropylmethoxy)-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-5-(pyridin-4-ylmethoxy)pyrano[3,2-b]xanthen-6-one, Isoform 3 of cAMP-specific 3',5'-cyclic phosphodiesterase 4D, MAGNESIUM ION, ...
Authors:Huang, Y.-Y, He, X, Luo, H.-B.
Deposit date:2022-03-17
Release date:2023-02-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.00067449 Å)
Cite:Discovery of novel PDE4 inhibitors targeting the M-pocket from natural mangostanin with improved safety for the treatment of Inflammatory Bowel Diseases.
Eur.J.Med.Chem., 242, 2022
7XAA
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BU of 7xaa by Molmil
Crystal structure of PDE4D catalytic domain complexed with compound 21d
Descriptor: 8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-9-oxidanyl-5-(pyridin-4-ylmethoxy)pyrano[3,2-b]xanthen-6-one, Isoform 3 of cAMP-specific 3',5'-cyclic phosphodiesterase 4D, MAGNESIUM ION, ...
Authors:Huang, Y.-Y, He, X, Luo, H.-B.
Deposit date:2022-03-17
Release date:2023-02-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.100414 Å)
Cite:Discovery of novel PDE4 inhibitors targeting the M-pocket from natural mangostanin with improved safety for the treatment of Inflammatory Bowel Diseases.
Eur.J.Med.Chem., 242, 2022
6BZV
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BU of 6bzv by Molmil
Structure of the Hepatitis C virus envelope glycoprotein E2 antigenic region 412-423 bound to the GL precursor of the broadly neutralizing antibody 19B3
Descriptor: 19B3 GL Heavy Chain, 19B3 GL Light Chain, E2 AS412 peptide
Authors:Tzarum, N, Aleman, F, Wilson, I.A, Law, M.
Deposit date:2017-12-26
Release date:2018-06-20
Last modified:2022-02-02
Method:X-RAY DIFFRACTION (2.654 Å)
Cite:Immunogenetic and structural analysis of a class of HCV broadly neutralizing antibodies and their precursors.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6BZW
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BU of 6bzw by Molmil
Structure of the Hepatitis C virus envelope glycoprotein E2 antigenic region 412-423 bound to the GL precursor of the broadly neutralizing antibody AP33
Descriptor: AP33 GL Heavy Chain, AP33 GL Light Chain, E2 AS412 peptide
Authors:Tzarum, N, Aleman, F, Wilson, I.A, Law, M.
Deposit date:2017-12-26
Release date:2018-06-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Immunogenetic and structural analysis of a class of HCV broadly neutralizing antibodies and their precursors.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6KV2
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BU of 6kv2 by Molmil
Crystal structure of trypsin inhibitor 1 from Senna obtusifolia
Descriptor: Trypsin inhibitor 1
Authors:Liao, H, Yu, Y.
Deposit date:2019-09-03
Release date:2020-02-19
Method:X-RAY DIFFRACTION (2.003 Å)
Cite:Structural and functional relationship of Cassia obtusifolia trypsin inhibitor to understand its digestive resistance against Pieris rapae.
Int.J.Biol.Macromol., 148, 2020
6BZU
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BU of 6bzu by Molmil
Structure of the Hepatitis C virus envelope glycoprotein E2 antigenic region 412-423 bound to the broadly neutralizing antibody 19B3
Descriptor: 19B3 Heavy Chain, 19B3 Light Chain, E2 AS412 peptide
Authors:Tzarum, N, Aleman, F, Kong, L, Wilson, I.A, Law, M.
Deposit date:2017-12-26
Release date:2018-06-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Immunogenetic and structural analysis of a class of HCV broadly neutralizing antibodies and their precursors.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6BZY
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BU of 6bzy by Molmil
Structure of the Hepatitis C virus envelope glycoprotein E2 antigenic region 412-423 bound to the 22D11 broadly neutralizing antibody
Descriptor: 22D11 Heavy Chain, 22D11 Light Chain, E2 AS412 peptide
Authors:Tzarum, N, Aleman, F, Wilson, I.A, Law, M.
Deposit date:2017-12-26
Release date:2018-06-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Immunogenetic and structural analysis of a class of HCV broadly neutralizing antibodies and their precursors.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
7F7W
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BU of 7f7w by Molmil
JAK2-JH2
Descriptor: 2-((1-(2-fluoro-4-((4-(1-isopropyl-1H-pyrazol-4-yl)-5-methylpyrimidin-2-yl)amino)phenyl)piperidin-4-yl)(methyl)amino)ethan-1-ol, Tyrosine-protein kinase JAK2
Authors:Niu, L.
Deposit date:2021-06-30
Release date:2022-03-30
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Preclinical studies of Flonoltinib Maleate, a novel JAK2/FLT3 inhibitor, in treatment of JAK2 V617F -induced myeloproliferative neoplasms.
Blood Cancer J, 12, 2022
4JPW
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BU of 4jpw by Molmil
Crystal structure of broadly and potently neutralizing antibody 12a21 in complex with hiv-1 strain 93th057 gp120 mutant
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, HEAVY CHAIN OF ANTIBODY 12A21, ...
Authors:Acharya, P, Luongo, T, Zhou, T, Kwong, P.D.
Deposit date:2013-03-19
Release date:2013-04-17
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.904 Å)
Cite:Somatic mutations of the immunoglobulin framework are generally required for broad and potent HIV-1 neutralization.
Cell(Cambridge,Mass.), 153, 2013
5VO0
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BU of 5vo0 by Molmil
Structure of a TRAF6-Ubc13~Ub complex
Descriptor: POTASSIUM ION, TNF receptor-associated factor 6, Ubiquitin, ...
Authors:Middleton, A.J, Day, C.L.
Deposit date:2017-05-01
Release date:2017-12-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.9 Å)
Cite:The activity of TRAF RING homo- and heterodimers is regulated by zinc finger 1.
Nat Commun, 8, 2017
5VNZ
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BU of 5vnz by Molmil
Structure of a TRAF6-Ubc13~Ub complex
Descriptor: TNF receptor-associated factor 6, Ubiquitin, Ubiquitin-conjugating enzyme E2 N, ...
Authors:Middleton, A.J, Day, C.L.
Deposit date:2017-05-01
Release date:2017-12-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.41 Å)
Cite:The activity of TRAF RING homo- and heterodimers is regulated by zinc finger 1.
Nat Commun, 8, 2017
5XV7
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BU of 5xv7 by Molmil
SRPK1 in complex with Alectinib
Descriptor: 1,2-ETHANEDIOL, 9-ethyl-6,6-dimethyl-8-[4-(morpholin-4-yl)piperidin-1-yl]-11-oxo-6,11-dihydro-5H-benzo[b]carbazole-3-carbonitrile, serine-arginine (SR) protein kinase 1
Authors:Zeng, C, Ngo, J.C.K.
Deposit date:2017-06-26
Release date:2018-03-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:SRPKIN-1: A Covalent SRPK1/2 Inhibitor that Potently Converts VEGF from Pro-angiogenic to Anti-angiogenic Isoform
Cell Chem Biol, 25, 2018
5Y20
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BU of 5y20 by Molmil
Crystal structure of AL1 PHD finger bound to H3K4me3
Descriptor: PEPTIDE FROM HISTONE H3, PHD finger protein ALFIN-LIKE 1, ZINC ION
Authors:Zhao, S, Zhang, B, Li, H.
Deposit date:2017-07-22
Release date:2018-01-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.409 Å)
Cite:Systematic Profiling of Histone Readers in Arabidopsis thaliana.
Cell Rep, 22, 2018
5YC4
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BU of 5yc4 by Molmil
Crystal structure of AL3 PHD finger bound to H3K4me3
Descriptor: Histone H3K4me3, PHD finger protein ALFIN-LIKE 3, ZINC ION
Authors:Zhao, S, Zhang, B, Li, H.
Deposit date:2017-09-06
Release date:2018-01-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.697 Å)
Cite:Systematic Profiling of Histone Readers in Arabidopsis thaliana.
Cell Rep, 22, 2018
5YC3
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BU of 5yc3 by Molmil
Crystal structure of AL3 PHD finger bound to H3K4me2
Descriptor: H3K4me2, PHD finger protein ALFIN-LIKE 3, ZINC ION
Authors:Zhao, S, Zhang, B, Li, H.
Deposit date:2017-09-06
Release date:2018-01-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.601 Å)
Cite:Systematic Profiling of Histone Readers in Arabidopsis thaliana.
Cell Rep, 22, 2018
7TPR
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BU of 7tpr by Molmil
Camel nanobodies 7A3 and 8A2 broadly neutralize SARS-CoV-2 variants
Descriptor: Nanobody 7A3, Nanobody 8A2, Spike glycoprotein
Authors:Butay, K.J, Zhu, J, Dandey, V.P, Hong, J, Kwon, H.J, Chen, C.Z, Duan, Z, Li, D, Ren, H, Liang, T, Martin, N, Esposito, D, Ortega-Rodriguez, U, Xu, M, Xie, H, Ho, M, Cachau, R, Borgnia, M.J.
Deposit date:2022-01-25
Release date:2022-04-20
Method:ELECTRON MICROSCOPY (2.39 Å)
Cite:Camel nanobodies broadly neutralize SARS-CoV-2 variants
bioRxiv, 2021
5VQF
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BU of 5vqf by Molmil
Crystal Structure of pro-TGF-beta 1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Transforming growth factor beta-1, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Zhao, B, Xu, S, Dong, X, Lu, C, Springer, T.A.
Deposit date:2017-05-08
Release date:2017-11-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Prodomain-growth factor swapping in the structure of pro-TGF-beta 1.
J. Biol. Chem., 293, 2018
7WJ6
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BU of 7wj6 by Molmil
Crystal Structure of the Kinase Domain of a Class III Lanthipeptide Synthetase CurKC
Descriptor: MAGNESIUM ION, Serine/threonine protein kinase
Authors:Huang, S, Wang, H.
Deposit date:2022-01-05
Release date:2022-11-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Discovery of a Unique Structural Motif in Lanthipeptide Synthetases for Substrate Binding and Interdomain Interactions.
Angew.Chem.Int.Ed.Engl., 61, 2022
7WJ7
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BU of 7wj7 by Molmil
Crystal Structure of the Kinase Domain with Adenosine of a Class III Lanthipeptide Synthetase CurKC
Descriptor: 2-(6-AMINO-OCTAHYDRO-PURIN-9-YL)-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-3,4-DIOL, Serine/threonine protein kinase
Authors:Huang, S, Wang, H.
Deposit date:2022-01-05
Release date:2022-11-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Discovery of a Unique Structural Motif in Lanthipeptide Synthetases for Substrate Binding and Interdomain Interactions.
Angew.Chem.Int.Ed.Engl., 61, 2022
7YFZ
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BU of 7yfz by Molmil
Cyanophage Pam3 baseplate proteins
Descriptor: Pam3 baseplate wedge gp22, Pam3 baseplate wedge gp23, Pam3 hub gp19, ...
Authors:Yang, F, Jiang, Y.L, Zhou, C.Z.
Deposit date:2022-07-09
Release date:2023-01-18
Last modified:2023-02-01
Method:ELECTRON MICROSCOPY (3.19 Å)
Cite:Fine structure and assembly pattern of a minimal myophage Pam3.
Proc.Natl.Acad.Sci.USA, 120, 2023
7YFW
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BU of 7yfw by Molmil
Cyanophage Pam3 fiber
Descriptor: Pam3 fiber proreins
Authors:Yang, F, Jiang, Y.L, Zhou, C.Z.
Deposit date:2022-07-09
Release date:2023-01-18
Last modified:2023-02-01
Method:ELECTRON MICROSCOPY (3.96 Å)
Cite:Fine structure and assembly pattern of a minimal myophage Pam3.
Proc.Natl.Acad.Sci.USA, 120, 2023

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