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6LT8
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BU of 6lt8 by Molmil
HSP90 in complex with KW-2478
分子名称: 2-[2-ethyl-6-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]carbonyl-3,5-bis(oxidanyl)phenyl]-~{N},~{N}-bis(2-methoxyethyl)ethanamide, Heat shock protein HSP 90-alpha
著者Cao, H.L.
登録日2020-01-21
公開日2021-01-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.593 Å)
主引用文献Anti-NSCLC activity in vitro of Hsp90 N inhibitor KW-2478 and complex crystal structure determination of Hsp90 N -KW-2478.
J.Struct.Biol., 213, 2021
6MAB
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BU of 6mab by Molmil
1.7A resolution structure of RsbU from Chlamydia trachomatis (periplasmic domain)
分子名称: ISOPROPYL ALCOHOL, Sigma regulatory family protein-PP2C phosphatase
著者Dmitriev, A, Lovell, S, Battaile, K.P, Soules, K, Hefty, P.S.
登録日2018-08-27
公開日2019-09-04
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural and ligand binding analyses of the periplasmic sensor domain of RsbU in Chlamydia trachomatis support a role in TCA cycle regulation.
Mol.Microbiol., 113, 2020
6MBB
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BU of 6mbb by Molmil
Human Bfl-1 in complex with the designed peptide dF1
分子名称: Bcl-2-related protein A1, dF1
著者Jenson, J.M, Keating, A.E.
登録日2018-08-29
公開日2019-03-06
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Tertiary Structural Motif Sequence Statistics Enable Facile Prediction and Design of Peptides that Bind Anti-apoptotic Bfl-1 and Mcl-1.
Structure, 27, 2019
4UP1
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BU of 4up1 by Molmil
Crystal structure of native human Thymidylate synthase in active form
分子名称: SULFATE ION, THYMIDYLATE SYNTHASE
著者Deschamps, P, Rety, S, Leulliot, N.
登録日2014-06-11
公開日2015-06-24
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.991 Å)
主引用文献Crystal structure of the active form of native human thymidylate synthase in the absence of bound substrates.
Acta Crystallogr F Struct Biol Commun, 73, 2017
8A6W
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BU of 8a6w by Molmil
Crystal structure of CYP142 from Mycobacterium tuberculosis in complex with cholestenone
分子名称: (8ALPHA,9BETA)-CHOLEST-4-EN-3-ONE, PROTOPORPHYRIN IX CONTAINING FE, Steroid C26-monooxygenase
著者Snee, M, Amadi, C, Levy, C.
登録日2022-06-20
公開日2023-07-05
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Crystal structure of CYP142 from Mycobacterium tuberculosis in complex with cholestenone
To Be Published
8A9P
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BU of 8a9p by Molmil
Crystal structure of CYP142 from Mycobacterium tuberculosis in complex with a fragment
分子名称: (3-phenyl-1,2,4-oxadiazol-5-yl)methanamine, BROMIDE ION, CHLORIDE ION, ...
著者Snee, M, Katariya, M, Levy, C, Leys, D.
登録日2022-06-29
公開日2023-07-12
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Crystal structure of CYP142 from Mycobacterium tuberculosis in complex with a fragment
To Be Published
3SB2
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BU of 3sb2 by Molmil
Crystal Structure of the RNA chaperone Hfq from Herbaspirillum seropedicae SMR1
分子名称: GLYCEROL, Protein hfq
著者Kadowaki, M.A.S, Iulek, J, Barbosa, J.A.R.G, Pedrosa, F.O, Souza, E.M, Chubatsu, L.S, Monteiro, R.A, Steffens, M.B.R.
登録日2011-06-03
公開日2012-01-04
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.6301 Å)
主引用文献Structural characterization of the RNA chaperone Hfq from the nitrogen-fixing bacterium Herbaspirillum seropedicae SmR1.
Biochim.Biophys.Acta, 1824, 2011
8AMS
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BU of 8ams by Molmil
Complex of human TRIM2 RING domain, UBCH5C, and Ubiquitin
分子名称: 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, GLYCEROL, Polyubiquitin-C, ...
著者Perez-Borrajero, C, Kotova, I, Murciano, B, Hennig, J.
登録日2022-08-04
公開日2023-11-15
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural and biophysical studies of TRIM2 and TRIM3
To Be Published
8A8L
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BU of 8a8l by Molmil
Crystal structure of a staphylococcal orthologue of CYP134A1 (CYPX) in complex with a heme-coordinated fragment
分子名称: 6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole, Cytochrome P450 protein, GLYCEROL, ...
著者Snee, M, Katariya, M, Levy, C.
登録日2022-06-23
公開日2023-07-05
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Crystal structure of a staphylococcal orthologue of CYP134A1 (CYPX) in complex with a heme-coordinated fragment
To Be Published
6TQQ
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BU of 6tqq by Molmil
Structural insight into tanapoxvirus mediated inhibition of apoptosis
分子名称: 16L protein, Bcl-2-like protein 11, SODIUM ION
著者Suraweera, C.D, Hinds, M.G, Kvansakul, M.
登録日2019-12-17
公開日2020-06-03
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (3.0017972 Å)
主引用文献Structural insight into tanapoxvirus-mediated inhibition of apoptosis.
Febs J., 287, 2020
6TQP
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BU of 6tqp by Molmil
Structural insight into tanapoxvirus mediated inhibition of apoptosis
分子名称: 16L protein, Bcl-2-binding component 3, isoforms 1/2, ...
著者Suraweera, C.D, Hinds, M.G, Kvansakul, M.
登録日2019-12-17
公開日2020-06-03
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.84940946 Å)
主引用文献Structural insight into tanapoxvirus-mediated inhibition of apoptosis.
Febs J., 287, 2020
6TRR
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BU of 6trr by Molmil
Structural insight into tanapoxvirus mediated inhibition of apoptosis
分子名称: 16L protein, Apoptosis regulator BAX, SODIUM ION
著者Suraweera, C.D, Hinds, M.G, Kvansakul, M.
登録日2019-12-19
公開日2020-06-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.12007356 Å)
主引用文献Structural insight into tanapoxvirus-mediated inhibition of apoptosis.
Febs J., 287, 2020
6ZFW
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BU of 6zfw by Molmil
X-ray structure of the soluble N-terminal domain of T. cruzi PEX-14
分子名称: ACETATE ION, BETA-MERCAPTOETHANOL, GLYCEROL, ...
著者Softley, C.A, Ostertag, M.O, Sattler, M, Popowicz, G.P.
登録日2020-06-18
公開日2020-12-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Deep learning model predicts water interaction sites on the surface of proteins using limited-resolution data.
Chem.Commun.(Camb.), 56, 2020
6T76
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BU of 6t76 by Molmil
PII-like protein CutA from Nostoc sp. PCC 7120 in apo form
分子名称: Periplasmic divalent cation tolerance protein, SULFATE ION
著者Selim, K.A, Albrecht, R, Forchhammer, K, Hartmann, M.D.
登録日2019-10-21
公開日2020-07-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Functional and structural characterization of PII-like protein CutA does not support involvement in heavy metal tolerance and hints at a small-molecule carrying/signaling role.
Febs J., 288, 2021
6T7E
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BU of 6t7e by Molmil
PII-like protein CutA from Nostoc sp. PCC7120 in complex with MES
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Periplasmic divalent cation tolerance protein
著者Selim, K.A, Albrecht, R, Forchhammer, K, Hartmann, M.D.
登録日2019-10-21
公開日2020-07-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Functional and structural characterization of PII-like protein CutA does not support involvement in heavy metal tolerance and hints at a small-molecule carrying/signaling role.
Febs J., 288, 2021
7F25
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BU of 7f25 by Molmil
Crystal structure of SSB from Salmonella enterica serovar Typhimurium LT2.
分子名称: Single-stranded DNA-binding protein 1
著者Luo, R.H, Huang, Y.H, Huang, C.Y.
登録日2021-06-10
公開日2022-05-04
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.87 Å)
主引用文献Crystal Structure of an SSB Protein from Salmonella enterica and Its Inhibition by Flavanonol Taxifolin.
Int J Mol Sci, 23, 2022
7FEV
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BU of 7fev by Molmil
Crystal structure of Old Yellow Enzyme6 (OYE6)
分子名称: FLAVIN MONONUCLEOTIDE, FMN binding
著者Singh, Y, Sharma, R, Mishra, M, Verma, P.K, Saxena, A.K.
登録日2021-07-21
公開日2022-04-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.594 Å)
主引用文献Crystal structure of ArOYE6 reveals a novel C-terminal helical extension and mechanistic insights into the distinct class III OYEs from pathogenic fungi.
Febs J., 289, 2022
6RUQ
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BU of 6ruq by Molmil
Structure of GluA2cryst in complex the antagonist ZK200775 and the negative allosteric modulator GYKI53655 at 4.65 A resolution
分子名称: (8R)-5-(4-aminophenyl)-N,8-dimethyl-8,9-dihydro-2H,7H-[1,3]dioxolo[4,5-h][2,3]benzodiazepine-7-carboxamide, Glutamate receptor 2, beta-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Krintel, C, Venskutonyte, R, Mirza, O.A, Gajhede, M, Kastrup, J.S.
登録日2019-05-28
公開日2020-06-24
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (4.65 Å)
主引用文献Binding of a negative allosteric modulator and competitive antagonist can occur simultaneously at the ionotropic glutamate receptor GluA2.
Febs J., 288, 2021
9NHF
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BU of 9nhf by Molmil
The structure of a family 168 glycoside hydrolase from the marine bacterium Muricauda eckloniae.
分子名称: 1,2-ETHANEDIOL, Glycosyl hydrolase-like family 15 (GHL15) protein
著者Knudson-Goerner, E.J, Boraston, A.B.
登録日2025-02-24
公開日2025-06-11
最終更新日2025-07-09
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The structure of a family 168 glycoside hydrolase from the marine bacterium Muricauda eckloniae.
Acta Crystallogr.,Sect.F, 81, 2025
6X3I
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BU of 6x3i by Molmil
NNAS Fc mutant
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Immunoglobulin gamma-1 heavy chain, beta-D-mannopyranose
著者Wei, R, Zhou, Y.F.
登録日2020-05-21
公開日2020-09-23
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.268 Å)
主引用文献Engineered Fc-glycosylation switch to eliminate antibody effector function.
Mabs, 12, 2020
6HIL
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BU of 6hil by Molmil
X-ray structure of TEAD1(Y421H mutant) complexed with YAP(wildtype): Molecular and structural characterization of a TEAD mutation at the origin of Sveinsson's chorioretinal atrophy
分子名称: MYRISTIC ACID, Transcriptional coactivator YAP1, Transcriptional enhancer factor TEF-1
著者Kallen, J.
登録日2018-08-30
公開日2019-04-03
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Molecular and structural characterization of a TEAD mutation at the origin of Sveinsson's chorioretinal atrophy.
Febs J., 286, 2019
8I5P
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BU of 8i5p by Molmil
Crystal structure of TxGH116 D593A acid/base mutant from Thermoanaerobacterium xylanolyticum with cellobiose
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ...
著者Pengthaisong, S, Ketudat Cairns, J.R.
登録日2023-01-26
公開日2023-05-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Reaction Mechanism of Glycoside Hydrolase Family 116 Utilizes Perpendicular Protonation.
Acs Catalysis, 13, 2023
8I5Q
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BU of 8i5q by Molmil
Crystal structure of TxGH116 D593A acid/base mutant from Thermoanaerobacterium xylanolyticum with laminaribiose
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ...
著者Pengthaisong, S, Ketudat Cairns, J.R.
登録日2023-01-26
公開日2023-05-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Reaction Mechanism of Glycoside Hydrolase Family 116 Utilizes Perpendicular Protonation.
Acs Catalysis, 13, 2023
8I5T
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BU of 8i5t by Molmil
Crystal structure of TxGH116 D593N acid/base mutant from Thermoanaerobacterium xylanolyticum with cellobiose
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, GLYCEROL, ...
著者Pengthaisong, S, Ketudat Cairns, J.R.
登録日2023-01-26
公開日2023-05-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Reaction Mechanism of Glycoside Hydrolase Family 116 Utilizes Perpendicular Protonation.
Acs Catalysis, 13, 2023
8I5U
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BU of 8i5u by Molmil
Crystal structure of TxGH116 D593N acid/base mutant from Thermoanaerobacterium xylanolyticum with laminaribiose
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, GLYCEROL, ...
著者Pengthaisong, S, Ketudat Cairns, J.R.
登録日2023-01-26
公開日2023-05-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Reaction Mechanism of Glycoside Hydrolase Family 116 Utilizes Perpendicular Protonation.
Acs Catalysis, 13, 2023

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