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8FI5
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Crystal Structure of Glycylpeptide N-tetradecanoyltransferase (N-myristoyl transferase) (NMT) from Leishmania major Friedlin bound to tetradecanoyl-CoA (Orthorhombic P Form 2)
Descriptor: Glycylpeptide N-tetradecanoyltransferase, TETRADECANOYL-COA
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2022-12-15
Release date:2022-12-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal Structure of Glycylpeptide N-tetradecanoyltransferase (N-myristoyl transferase) (NMT) from Leishmania major Friedlin bound to tetradecanoyl-CoA (Orthorhombic P Form 2)
To be published
8HUN
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BU of 8hun by Molmil
X-ray structure of human PPAR alpha ligand binding domain-seladelpar co-crystals obtained by cross-seeding
Descriptor: GLYCEROL, Peroxisome proliferator-activated receptor alpha, Seladelpar
Authors:Kamata, S, Honda, A, Machida, Y, Uchii, K, Shiiyama, Y, Masuda, R, Iino, S, Oyama, T, Ishii, I.
Deposit date:2022-12-24
Release date:2023-08-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Functional and Structural Insights into the Human PPAR alpha / delta / gamma Targeting Preferences of Anti-NASH Investigational Drugs, Lanifibranor, Seladelpar, and Elafibranor.
Antioxidants, 12, 2023
8HUP
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BU of 8hup by Molmil
X-ray structure of human PPAR gamma ligand binding domain-seladelpar-SRC1 coactivator peptide co-crystals obtained by co-crystallization
Descriptor: 15-meric peptide from Nuclear receptor coactivator 1, Isoform 1 of Peroxisome proliferator-activated receptor gamma, Seladelpar
Authors:Kamata, S, Honda, A, Machida, Y, Uchii, K, Shiiyama, Y, Masuda, R, Oyama, T, Ishii, I.
Deposit date:2022-12-24
Release date:2023-08-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Functional and Structural Insights into the Human PPAR alpha / delta / gamma Targeting Preferences of Anti-NASH Investigational Drugs, Lanifibranor, Seladelpar, and Elafibranor.
Antioxidants, 12, 2023
8F9Y
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BU of 8f9y by Molmil
SAL1 from Arabidopsis thaliana
Descriptor: MAGNESIUM ION, PHOSPHATE ION, SAL1 phosphatase
Authors:Frkic, R.L, Kaczmarski, J.A, Tan, L, Jackson, C.J.
Deposit date:2022-11-24
Release date:2023-01-18
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Sensing and signaling of oxidative stress in chloroplasts by inactivation of the SAL1 phosphoadenosine phosphatase.
Proc.Natl.Acad.Sci.USA, 113, 2016
8I50
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BU of 8i50 by Molmil
Crystal structure of DNA octamer containing GuNA[Me,Me]
Descriptor: DNA (5'-D(*GP*(OIQ)P*GP*(BRU)P*AP*CP*AP*C)-3')
Authors:Aoyama, H, Obika, S, Yamaguchi, T.
Deposit date:2023-01-21
Release date:2023-08-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Mechanism of the extremely high duplex-forming ability of oligonucleotides modified with N-tert-butylguanidine- or N-tert-butyl-N'- methylguanidine-bridged nucleic acids.
Nucleic Acids Res., 51, 2023
6W3B
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BU of 6w3b by Molmil
Structure of apo unphosphorylated IRE1
Descriptor: Serine/threonine-protein kinase/endoribonuclease IRE1
Authors:Wallweber, H, Mortara, K, Ferri, E, Rudolph, J, Wang, W.
Deposit date:2020-03-09
Release date:2020-12-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Activation of the IRE1 RNase through remodeling of the kinase front pocket by ATP-competitive ligands.
Nat Commun, 11, 2020
5KYC
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BU of 5kyc by Molmil
Crystal structure of USP7 catalytic domain [V302K] mutant in complex with ubiquitin (malonate bound)
Descriptor: GLYCEROL, MALONIC ACID, Polyubiquitin-B, ...
Authors:Rouge, L, Ozen, A.
Deposit date:2016-07-21
Release date:2017-08-09
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.426 Å)
Cite:Selectively Modulating Conformational States of USP7 Catalytic Domain for Activation.
Structure, 26, 2018
5KYF
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BU of 5kyf by Molmil
Crystal structure of USP7 catalytic domain [L299A] mutant in complex with ubiquitin
Descriptor: GLYCEROL, Polyubiquitin-B, Ubiquitin carboxyl-terminal hydrolase 7
Authors:Rouge, L, Ozen, A.
Deposit date:2016-07-21
Release date:2017-08-09
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Selectively Modulating Conformational States of USP7 Catalytic Domain for Activation.
Structure, 26, 2018
6W3Y
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BU of 6w3y by Molmil
Crystal structure of ligand-binding domain of Campylobacter jejuni chemoreceptor Tlp3 in complex with L-alanine
Descriptor: ALANINE, CHLORIDE ION, GLYCEROL, ...
Authors:Khan, M.F, Machuca, M.A, Rahman, M.M, Roujeinikova, A.
Deposit date:2020-03-09
Release date:2020-05-20
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:Structure-Activity Relationship Study Reveals the Molecular Basis for Specific Sensing of Hydrophobic Amino Acids by theCampylobacter jejuniChemoreceptor Tlp3.
Biomolecules, 10, 2020
8FT7
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BU of 8ft7 by Molmil
Crystal structure of SAH bound protein arginine N-methyltransferase 1 (PRMT1) from Naegleria fowleri
Descriptor: PUA domain-containing protein, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2023-01-11
Release date:2023-01-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal structure of SAH bound protein arginine N-methyltransferase 1 (PRMT1) from Naegleria fowleri
To be published
8FUQ
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BU of 8fuq by Molmil
Crystal structure of rabies virus (strain CVS-11) P3 dimerization domain
Descriptor: Phosphoprotein
Authors:Donnelly, C.M, Cross, E.M, Forwood, J.K.
Deposit date:2023-01-18
Release date:2023-01-25
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of rabies virus (strain CVS-11) P3 dimerization domain
To Be Published
6W68
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BU of 6w68 by Molmil
The structure of V98A S172A Keap1-BTB domain
Descriptor: Kelch-like ECH-associated protein 1
Authors:Mena, E.L, Gee, C.L, Kuriyan, J, Rape, M.
Deposit date:2020-03-16
Release date:2020-08-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structural basis for dimerization quality control.
Nature, 586, 2020
4YEM
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BU of 4yem by Molmil
Carboplatin binding to HEWL in NaBr crystallisation conditions studied at an X-ray wavelength of 0.9163A - new refinement
Descriptor: ACETATE ION, BROMIDE ION, CHLORIDE ION, ...
Authors:Shabalin, I.G, Dauter, Z, Jaskolski, M, Minor, W, Wlodawer, A.
Deposit date:2015-02-24
Release date:2015-03-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Crystallography and chemistry should always go together: a cautionary tale of protein complexes with cisplatin and carboplatin.
Acta Crystallogr.,Sect.D, 71, 2015
8FUC
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BU of 8fuc by Molmil
Crystal structure of mouse Importin alpha in complex with Hendra virus matrix protein minor site NLS2
Descriptor: Contaminant peptide KKLARE, Importin subunit alpha-1, Matrix protein
Authors:Donnelly, C.M, Basler, C.F, Scott, C, Forwood, J.K.
Deposit date:2023-01-17
Release date:2023-01-25
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Henipavirus Matrix Protein Employs a Non-Classical Nuclear Localization Signal Binding Mechanism.
Viruses, 15, 2023
5KZX
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BU of 5kzx by Molmil
Crystal structure of human GAA
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Deming, D.T, Garman, S.C.
Deposit date:2016-07-25
Release date:2017-07-26
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:The structure of human GAA: structural basis of Pompe disease
To be published
4YEX
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BU of 4yex by Molmil
HUaa-19bp
Descriptor: DNA-binding protein HU-alpha, synthetic DNA strand
Authors:Hammel, M, Reyes, F.E, Parpana, R, Tainer, J.A, Adhya, S, Amlanjyoti, D.
Deposit date:2015-02-24
Release date:2016-06-29
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:HU multimerization shift controls nucleoid compaction.
Sci Adv, 2, 2016
4Y8V
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BU of 4y8v by Molmil
Ca. Korarchaeum cryptofilum dinucleotide forming Acetyl-coenzyme A synthetase 1 in complex with ADP and additional ADP bound to phosphate binding site
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, alpha subunit of acetyl-CoA synthetase (NDP forming), ...
Authors:Weisse, R.H.-J, Scheidig, A.J.
Deposit date:2015-02-16
Release date:2016-01-27
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.099 Å)
Cite:Structure of NDP-forming Acetyl-CoA synthetase ACD1 reveals a large rearrangement for phosphoryl transfer.
Proc.Natl.Acad.Sci.USA, 113, 2016
8FZM
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BU of 8fzm by Molmil
Human importin alpha 3 in complex with Bimax2 peptide
Descriptor: Bimax2, Importin subunit alpha-3
Authors:Donnelly, C.M, Forwood, J.K.
Deposit date:2023-01-29
Release date:2023-02-08
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (3 Å)
Cite:Human importin alpha 3 in complex with Bimax2 peptide
To Be Published
6WBH
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BU of 6wbh by Molmil
Crystal structure of mRECK(CC4) in fusion with engineered MBP at medium resolution
Descriptor: CHLORIDE ION, Maltodextrin-binding protein,Reversion-inducing cysteine-rich protein with Kazal motifs fusion, ZINC ION, ...
Authors:Chang, T.H, Hsieh, F.L, Gabelli, S.B, Nathans, J.
Deposit date:2020-03-26
Release date:2020-06-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.455 Å)
Cite:Structure of the RECK CC domain, an evolutionary anomaly.
Proc.Natl.Acad.Sci.USA, 117, 2020
8FCD
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BU of 8fcd by Molmil
HIV-1 Reverse Transcriptase in complex with 6-membered bicyclic core NNRTI
Descriptor: 4-[(8-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}-6-oxo-5,6,7,8-tetrahydropteridin-2-yl)amino]benzonitrile, L(+)-TARTARIC ACID, p51 RT, ...
Authors:Lansdon, E.B.
Deposit date:2022-12-01
Release date:2023-02-01
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Design and Synthesis of Novel HIV-1 NNRTIs with Bicyclic Cores and with Improved Physicochemical Properties.
J.Med.Chem., 66, 2023
6VS8
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BU of 6vs8 by Molmil
Mycobacterium tuberculosis dihydrofolate reductase in complex with ethyl 2-methyl thiazole-4-carboxylate(fragment 3)
Descriptor: COBALT (II) ION, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Ribeiro, J.A, Dias, M.V.B.
Deposit date:2020-02-10
Release date:2020-07-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.829 Å)
Cite:Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis.
Acs Infect Dis., 6, 2020
5L2Q
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BU of 5l2q by Molmil
Serine/threonine-protein kinase 40 (STK40) kinase homology domain
Descriptor: Serine/threonine-protein kinase 40
Authors:Durzynska, I, Uljon, S, Blacklow, S.C.
Deposit date:2016-08-02
Release date:2017-02-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:STK40 Is a Pseudokinase that Binds the E3 Ubiquitin Ligase COP1.
Structure, 25, 2017
8FCC
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BU of 8fcc by Molmil
HIV-1 Reverse Transcriptase in complex with 5-membered bicyclic core NNRTI
Descriptor: 4-[(9-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}-8-oxo-8,9-dihydro-7H-purin-2-yl)amino]benzonitrile, L(+)-TARTARIC ACID, p51 RT, ...
Authors:Lansdon, E.B.
Deposit date:2022-12-01
Release date:2023-02-01
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Design and Synthesis of Novel HIV-1 NNRTIs with Bicyclic Cores and with Improved Physicochemical Properties.
J.Med.Chem., 66, 2023
5L3Y
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BU of 5l3y by Molmil
Designed Artificial Cupredoxins
Descriptor: Streptavidin, [CuII(biot-et-dpea)]2+
Authors:Mann, S.I, Heinisch, T, Weitz, A.C, Hendrich, M.R, Ward, T.R, Borovik, A.S.
Deposit date:2016-05-24
Release date:2016-07-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Modular Artificial Cupredoxins.
J.Am.Chem.Soc., 138, 2016
6VUH
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BU of 6vuh by Molmil
APO PreQ1 riboswitch aptamer grown in Mn2+
Descriptor: MANGANESE (II) ION, PREQ1 RIBOSWITCH
Authors:Jenkins, J.L, Wedekind, J.E.
Deposit date:2020-02-15
Release date:2020-06-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.999 Å)
Cite:Analysis of a preQ1-I riboswitch in effector-free and bound states reveals a metabolite-programmed nucleobase-stacking spine that controls gene regulation.
Nucleic Acids Res., 48, 2020

226707

数据于2024-10-30公开中

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