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6J10
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BU of 6j10 by Molmil
Ciclopirox inhibits Hepatitis B Virus secretion by blocking capsid assembly
Descriptor: 6-cyclohexyl-4-methyl-1-oxidanyl-pyridin-2-one, Capsid protein
Authors:Park, S, Jin, M.S, Cho, Y, Kang, J, Kim, S, Park, M, Park, H, Kim, J, Park, S, Hwang, J, Kim, Y, Kim, Y.J.
Deposit date:2018-12-27
Release date:2019-04-17
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Ciclopirox inhibits Hepatitis B Virus secretion by blocking capsid assembly.
Nat Commun, 10, 2019
2LA2
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BU of 2la2 by Molmil
Solution structure of papiliocin isolated from the swallowtail butterfly, Papilio xuthus
Descriptor: Cecropin
Authors:Kim, Y, Kim, J.
Deposit date:2011-03-01
Release date:2011-09-28
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structure and function of papiliocin with antimicrobial and anti-inflammatory activities isolated from the swallowtail butterfly, Papilio xuthus
To be Published
8HTG
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BU of 8htg by Molmil
Crystal structure of Golf in complex with GTP-gamma S and Mg
Descriptor: 1,2-ETHANEDIOL, 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Guanine nucleotide-binding protein G(olf) subunit alpha, ...
Authors:Kang, H, Choi, H.-J.
Deposit date:2022-12-21
Release date:2023-12-20
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:Understanding the molecular mechanisms of odorant binding and activation of the human OR52 family.
Nat Commun, 14, 2023
4K86
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BU of 4k86 by Molmil
Crystal structure of human prolyl-tRNA synthetase (apo form)
Descriptor: Proline--tRNA ligase, ZINC ION
Authors:Hwang, K.Y, Son, J.H, Lee, E.H.
Deposit date:2013-04-18
Release date:2013-10-09
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Conformational changes in human prolyl-tRNA synthetase upon binding of the substrates proline and ATP and the inhibitor halofuginone.
Acta Crystallogr.,Sect.D, 69, 2013
4K87
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BU of 4k87 by Molmil
Crystal structure of human prolyl-tRNA synthetase (substrate bound form)
Descriptor: ADENOSINE, PROLINE, Proline--tRNA ligase, ...
Authors:Hwang, K.Y, Son, J.H, Lee, E.H.
Deposit date:2013-04-18
Release date:2013-10-09
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.301 Å)
Cite:Conformational changes in human prolyl-tRNA synthetase upon binding of the substrates proline and ATP and the inhibitor halofuginone.
Acta Crystallogr.,Sect.D, 69, 2013
4TZR
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BU of 4tzr by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1561
Descriptor: 1-{4-amino-3-[2-(cyclopropyloxy)quinolin-6-yl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}-2-methylpropan-2-ol, Calmodulin-domain protein kinase 1
Authors:Merritt, E.A.
Deposit date:2014-07-10
Release date:2014-08-27
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Development of an Orally Available and Central Nervous System (CNS) Penetrant Toxoplasma gondii Calcium-Dependent Protein Kinase 1 (TgCDPK1) Inhibitor with Minimal Human Ether-a-go-go-Related Gene (hERG) Activity for the Treatment of Toxoplasmosis.
J. Med. Chem., 59, 2016
4K88
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BU of 4k88 by Molmil
Crystal structure of human prolyl-tRNA synthetase (halofuginone bound form)
Descriptor: 7-bromo-6-chloro-3-{3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl}quinazolin-4(3H)-one, Proline--tRNA ligase, ZINC ION
Authors:Hwang, K.Y, Son, J.H, Lee, E.H.
Deposit date:2013-04-18
Release date:2013-10-09
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.619 Å)
Cite:Conformational changes in human prolyl-tRNA synthetase upon binding of the substrates proline and ATP and the inhibitor halofuginone.
Acta Crystallogr.,Sect.D, 69, 2013
7D04
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BU of 7d04 by Molmil
Lysozyme structure SS3 from SS mode
Descriptor: Lysozyme C
Authors:Kang, H.S, Lee, S.J.
Deposit date:2020-09-09
Release date:2021-03-31
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:High-brightness self-seeded X-ray free-electron laser covering the 3.5 keV to 14.6 keV range
Nat Photonics, 2021
7D05
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BU of 7d05 by Molmil
Lysozyme structure SASE3 from SASE mode
Descriptor: Lysozyme C
Authors:Kang, H.S, Lee, S.J.
Deposit date:2020-09-09
Release date:2021-03-31
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:High-brightness self-seeded X-ray free-electron laser covering the 3.5 keV to 14.6 keV range
Nat Photonics, 2021
7D02
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BU of 7d02 by Molmil
Lysozyme structure SASE2 from SASE mode
Descriptor: Lysozyme C
Authors:Kang, H.S, Lee, S.J.
Deposit date:2020-09-09
Release date:2021-03-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:High-brightness self-seeded X-ray free-electron laser covering the 3.5 keV to 14.6 keV range
Nat Photonics, 2021
7D01
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BU of 7d01 by Molmil
Lysozyme structure SS2 from SS mode
Descriptor: Lysozyme C
Authors:Kang, H.S, Lee, S.J.
Deposit date:2020-09-09
Release date:2021-03-31
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:High-brightness self-seeded X-ray free-electron laser covering the 3.5 keV to 14.6 keV range
Nat Photonics, 2021
8H87
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BU of 8h87 by Molmil
Cryo-EM structure of the potassium-selective channelrhodopsin HcKCR2 in lipid nanodisc
Descriptor: (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, HcKCR2, PALMITIC ACID, ...
Authors:Tajima, S, Kim, Y, Yamashita, K, Fukuda, M, Deisseroth, K, Kato, H.E.
Deposit date:2022-10-21
Release date:2023-09-06
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (2.53 Å)
Cite:Structural basis for ion selectivity in potassium-selective channelrhodopsins.
Cell, 186, 2023
8H86
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BU of 8h86 by Molmil
Cryo-EM structure of the potassium-selective channelrhodopsin HcKCR1 in lipid nanodisc
Descriptor: (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, HcKCR1, PALMITIC ACID, ...
Authors:Tajima, S, Kim, Y, Yamashita, K, Fukuda, M, Deisseroth, K, Kato, H.E.
Deposit date:2022-10-21
Release date:2023-09-06
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (2.56 Å)
Cite:Structural basis for ion selectivity in potassium-selective channelrhodopsins.
Cell, 186, 2023
8IU0
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BU of 8iu0 by Molmil
Cryo-EM structure of the potassium-selective channelrhodopsin HcKCR1 H225F mutant in lipid nanodisc
Descriptor: (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, HcKCR1, PALMITIC ACID, ...
Authors:Tajima, S, Kim, Y, Nakamura, S, Yamashita, K, Fukuda, M, Deisseroth, K, Kato, H.E.
Deposit date:2023-03-23
Release date:2023-09-06
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (2.66 Å)
Cite:Structural basis for ion selectivity in potassium-selective channelrhodopsins.
Cell, 186, 2023
5SXL
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BU of 5sxl by Molmil
Structure of EspG3 chaperone from the type VII (ESX-3) secretion system, space group P3221
Descriptor: ESX-3 secretion-associated protein EspG3
Authors:Korotkov, K.V.
Deposit date:2016-08-09
Release date:2016-08-24
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Structural Variability of EspG Chaperones from Mycobacterial ESX-1, ESX-3, and ESX-5 Type VII Secretion Systems.
J. Mol. Biol., 431, 2019
2GJN
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BU of 2gjn by Molmil
crystal structure of 2-nitropropane dioxygenase complexed with FMN and substrate
Descriptor: 2-NITROPROPANE, FLAVIN MONONUCLEOTIDE, hypothetical protein PA1024
Authors:Suh, S.W.
Deposit date:2006-03-31
Release date:2006-05-16
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of 2-Nitropropane Dioxygenase Complexed with FMN and Substrate: identification of the catalytic base
J.Biol.Chem., 281, 2006
8T1R
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BU of 8t1r by Molmil
Crystal structure of human CPSF73 catalytic segment in complex with compound 2
Descriptor: 3-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-5-yl]-~{N}-[3-(3-methoxyphenyl)phenyl]propanamide, CHLORIDE ION, Cleavage and polyadenylation specificity factor subunit 3, ...
Authors:Huang, J, Tong, L.
Deposit date:2023-06-02
Release date:2023-11-08
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Anticancer benzoxaboroles block pre-mRNA processing by directly inhibiting CPSF3.
Cell Chem Biol, 31, 2024
8T1Q
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BU of 8t1q by Molmil
Crystal structure of human CPSF73 catalytic segment in complex with compound 1
Descriptor: 3-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-5-yl]-~{N}-[3-(4-ethanoylphenyl)phenyl]propanamide, CHLORIDE ION, Cleavage and polyadenylation specificity factor subunit 3, ...
Authors:Huang, J, Tong, L.
Deposit date:2023-06-02
Release date:2023-11-08
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Anticancer benzoxaboroles block pre-mRNA processing by directly inhibiting CPSF3.
Cell Chem Biol, 31, 2024
2GJL
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BU of 2gjl by Molmil
Crystal Structure of 2-nitropropane dioxygenase
Descriptor: FLAVIN MONONUCLEOTIDE, hypothetical protein PA1024
Authors:Suh, S.W.
Deposit date:2006-03-31
Release date:2006-05-16
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of 2-Nitropropane Dioxygenase Complexed with FMN and Substrate: identification of the catalytic base
J.Biol.Chem., 281, 2006
8P82
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BU of 8p82 by Molmil
Cryo-EM structure of dimeric UBR5
Descriptor: E3 ubiquitin-protein ligase UBR5, ZINC ION
Authors:Aguirre, J.D, Kater, L, Kempf, G, Cavadini, S, Thoma, N.H.
Deposit date:2023-05-31
Release date:2023-06-14
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3.36 Å)
Cite:UBR5 forms ligand-dependent complexes on chromatin to regulate nuclear hormone receptor stability.
Mol.Cell, 83, 2023
8P83
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BU of 8p83 by Molmil
Cryo-EM structure of full-length human UBR5 (homotetramer)
Descriptor: E3 ubiquitin-protein ligase UBR5
Authors:Aguirre, J.D, Kater, L, Kempf, G, Cavadini, S, Thoma, N.H.
Deposit date:2023-05-31
Release date:2023-06-14
Last modified:2023-08-16
Method:ELECTRON MICROSCOPY (3.87 Å)
Cite:UBR5 forms ligand-dependent complexes on chromatin to regulate nuclear hormone receptor stability.
Mol.Cell, 83, 2023
7CNC
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BU of 7cnc by Molmil
cystal structure of human ERH in complex with DGCR8
Descriptor: Enhancer of rudimentary homolog, Microprocessor complex subunit DGCR8
Authors:Li, F, Shen, S.
Deposit date:2020-07-30
Release date:2020-10-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:ERH facilitates microRNA maturation through the interaction with the N-terminus of DGCR8.
Nucleic Acids Res., 48, 2020
4WG5
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BU of 4wg5 by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1647
Descriptor: 5-amino-3-[7-(cyclobutyloxy)quinolin-3-yl]-1-cyclohexyl-1H-pyrazole-4-carboxamide, Calmodulin-domain protein kinase 1
Authors:Merritt, E.A.
Deposit date:2014-09-17
Release date:2014-10-15
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1647
to be published
4WG3
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BU of 4wg3 by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1610
Descriptor: 3-(7-ethoxynaphthalen-2-yl)-1-(2-methylpropyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1
Authors:Merritt, E.A.
Deposit date:2014-09-17
Release date:2014-10-15
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1610
to be published
1HXP
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BU of 1hxp by Molmil
NUCLEOTIDE TRANSFERASE
Descriptor: BETA-MERCAPTOETHANOL, FE (III) ION, HEXOSE-1-PHOSPHATE URIDYLYLTRANSFERASE, ...
Authors:Wedekind, J.E, Frey, P.A, Rayment, I.
Deposit date:1995-06-09
Release date:1996-11-08
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Three-dimensional structure of galactose-1-phosphate uridylyltransferase from Escherichia coli at 1.8 A resolution.
Biochemistry, 34, 1995

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