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5X2W
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BU of 5x2w by Molmil
Crystal structure of Pseudomonas putida methionine gamma-lyase wild type with L-methionine intermediates
分子名称: (2E)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-4-(methylsulfanyl)but-2-enoic acid, L-methionine gamma-lyase
著者Shiba, T, Sato, D, Harada, S.
登録日2017-02-02
公開日2017-04-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural and mechanistic insights into homocysteine degradation by a mutant of methionine gamma-lyase based on substrate-assisted catalysis
Protein Sci., 26, 2017
7D6T
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BU of 7d6t by Molmil
X-ray structure of Clostridium perfringens sortase C with the C-terminal cell wall sorting motif.
分子名称: Sortase family protein
著者Kamitori, S, Tamai, E.
登録日2020-10-01
公開日2021-06-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献X-ray structures of Clostridium perfringens sortase C with C-terminal cell wall sorting motif of LPST demonstrate role of subsite for substrate-binding and structural variations of catalytic site.
Biochem.Biophys.Res.Commun., 554, 2021
7OR8
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BU of 7or8 by Molmil
Ternary complex of 14-3-3 sigma, p27pT198 phosphopeptide, and WQ136
分子名称: 14-3-3 protein sigma, CALCIUM ION, CHLORIDE ION, ...
著者Centorrino, F, Wu, Q, Ottmann, C.
登録日2021-06-04
公開日2022-06-22
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A crystallography-based study of fragment extensions into the 14-3-3 binding groove
To Be Published
7ORT
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BU of 7ort by Molmil
Ternary complex of 14-3-3 sigma, p27pT198 phosphopeptide, and WQ176
分子名称: 14-3-3 protein sigma, CHLORIDE ION, Cyclin-dependent kinase inhibitor 1B, ...
著者Centorrino, F, Wu, Q, Ottmann, C.
登録日2021-06-06
公開日2022-06-22
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献A crystallography-based study of fragment extensions into the 14-3-3 binding groove
To Be Published
7OQW
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BU of 7oqw by Molmil
Ternary complex of 14-3-3 sigma, Amot-p130 phosphopeptide, and WQ178
分子名称: 14-3-3 protein sigma, Amot-p130 phosphopeptide (pS175), MAGNESIUM ION, ...
著者Centorrino, F, Ottmann, C.
登録日2021-06-04
公開日2022-06-22
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A crystallography-based study of fragment extensions into the 14-3-3 binding groove
To Be Published
7ORH
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BU of 7orh by Molmil
Ternary complex of 14-3-3 sigma, p27pT198 phosphopeptide, and WQ178
分子名称: 14-3-3 protein sigma, CHLORIDE ION, Cyclin-dependent kinase inhibitor 1B, ...
著者Centorrino, F, Wu, Q, Ottmann, C.
登録日2021-06-05
公開日2022-06-22
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A crystallography-based study of fragment extensions into the 14-3-3 binding groove
To Be Published
5X80
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BU of 5x80 by Molmil
CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS MARR FAMILY PROTEIN RV2887 COMPLEX WITH SALICYLIC ACID
分子名称: 2-HYDROXYBENZOIC ACID, SULFATE ION, Uncharacterized HTH-type transcriptional regulator Rv2887
著者Gao, Y.R, Li, D.F, Wang, D.C, Bi, L.J.
登録日2017-02-28
公開日2017-08-09
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural analysis of the regulatory mechanism of MarR protein Rv2887 in M. tuberculosis
Sci Rep, 7, 2017
5HGB
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BU of 5hgb by Molmil
HLA*A2402 complexed with HIV nef138 8mer epitope
分子名称: Beta-2-microglobulin, HLA class I histocompatibility antigen, A-24 alpha chain, ...
著者Shi, Y, Qi, J, Gao, G.F.
登録日2016-01-08
公開日2016-06-08
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Effects of a Single Escape Mutation on T Cell and HIV-1 Co-adaptation.
Cell Rep, 15, 2016
5HF3
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BU of 5hf3 by Molmil
Crystal structure of C-terminal modified Tau peptide-hybrid 201D with 14-3-3sigma
分子名称: 14-3-3 protein sigma, modified Tau peptide
著者Bartel, M, Milroy, L.G, Brunsveld, L, Ottmann, C.
登録日2016-01-06
公開日2016-01-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Stabilizer-Guided Inhibition of Protein-Protein Interactions.
Angew.Chem.Int.Ed.Engl., 54, 2015
5HGD
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BU of 5hgd by Molmil
HLA*A2402 complexed with HIV nef138 Y2F mutant 10mer epitope
分子名称: Beta-2-microglobulin, HLA class I histocompatibility antigen, A-24 alpha chain, ...
著者Shi, Y, Qi, J, Gao, G.F.
登録日2016-01-08
公開日2016-06-08
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Effects of a Single Escape Mutation on T Cell and HIV-1 Co-adaptation.
Cell Rep, 15, 2016
5X3N
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BU of 5x3n by Molmil
Crystal structure of DiUb-K6
分子名称: PHOSPHATE ION, Polyubiquitin-B
著者Man, P, Shuai, G, Qian, Q, Lei, L.
登録日2017-02-06
公開日2017-04-12
実験手法X-RAY DIFFRACTION (1.649 Å)
主引用文献Structure of p-Ub-S65-NH2 at 1.82 Angstroms resolution.
To Be Published
5H91
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BU of 5h91 by Molmil
LbDERA mutant-T29L/F163Y
分子名称: ACETIC ACID, Deoxyribose-phosphate aldolase
著者Jiao, X.-C.
登録日2015-12-25
公開日2016-12-28
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Structure of 2-deoxyribose-5-phosphate aldolase LbDERAT29L/F163Y at 1.77 Angstroms resolution
To Be Published
7D36
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BU of 7d36 by Molmil
Crystal Structure of BACE1 in complex with N-{3-[(3S)-1-amino-5-fluoro-3-methyl-3,4-dihydro-2,6-naphthyridin-3-yl]-4-fluorophenyl}-5-cyano-3-methylpyridine-2-carboxamide
分子名称: Beta-secretase 1, GLYCEROL, IODIDE ION, ...
著者Nakahara, K, Mitsuoka, Y, Kasuya, S, Yamamoto, T, Yamamoto, S, Ito, H, Kido, Y, Kusakabe, K.I.
登録日2020-09-18
公開日2021-07-28
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Balancing potency and basicity by incorporating fluoropyridine moieties: Discovery of a 1-amino-3,4-dihydro-2,6-naphthyridine BACE1 inhibitor that affords robust and sustained central A beta reduction.
Eur.J.Med.Chem., 216, 2021
1WD0
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BU of 1wd0 by Molmil
Crystal structures of the hyperthermophilic chromosomal protein Sac7d in complex with DNA decamers
分子名称: 5'-D(*CP*CP*TP*AP*TP*AP*TP*AP*GP*G)-3', DNA-binding proteins 7a/7b/7d
著者Ko, T.-P, Chu, H.-M, Chen, C.-Y, Chou, C.-C, Wang, A.H.-J.
登録日2004-05-10
公開日2004-08-03
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structures of the hyperthermophilic chromosomal protein Sac7d in complex with DNA decamers.
Acta Crystallogr.,Sect.D, 60, 2004
7S4A
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BU of 7s4a by Molmil
MRG15 complex with PALB2 peptide
分子名称: Mortality factor 4-like protein 1, Partner and localizer of BRCA2
著者Korolev, S, Deveryshetty, J.
登録日2021-09-08
公開日2022-05-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.693 Å)
主引用文献Structural Insight into the Mechanism of PALB2 Interaction with MRG15.
Genes (Basel), 12, 2021
5HOW
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BU of 5how by Molmil
X-ray crystallographic structure of an Abeta 17-36 beta-hairpin. LV(PHI)FAEDCGSNKCAII(SAR)L(ORN)V
分子名称: Amyloid beta A4 protein
著者Kreutzer, A.G, Nowick, J.S, Spencer, R.K.
登録日2016-01-19
公開日2016-03-23
最終更新日2019-12-25
実験手法X-RAY DIFFRACTION (2.295 Å)
主引用文献X-ray Crystallographic Structures of a Trimer, Dodecamer, and Annular Pore Formed by an A beta 17-36 beta-Hairpin.
J.Am.Chem.Soc., 138, 2016
5HSM
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BU of 5hsm by Molmil
CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS MARR FAMILY PROTEIN RV2887
分子名称: SULFATE ION, Uncharacterized HTH-type transcriptional regulator Rv2887
著者Gao, Y.R, Li, D.F, Wang, D.C, Bi, L.J.
登録日2016-01-26
公開日2017-02-01
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural analysis of the regulatory mechanism of MarR protein Rv2887 in M. tuberculosis
Sci Rep, 7, 2017
5XCW
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BU of 5xcw by Molmil
Crystal structure of M92A-M120A double mutant of O-acetyl-L-serine sulfhydrylase from Haemophilus influenzae
分子名称: Cysteine synthase
著者Abhishek, K, Kumaran, S.
登録日2017-03-23
公開日2018-05-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Molecular Mechanism of Selective Substrate Engagement and Inhibitor Dis-engagement of Cysteine Synthase.
J.Biol.Chem., 2020
5HTR
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BU of 5htr by Molmil
Putative sugar kinases from Arabidopsis thaliana in apo form
分子名称: Putative xylulose kinase
著者Xie, Y, Li, M, Chang, W.
登録日2016-01-27
公開日2016-06-08
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structures of Putative Sugar Kinases from Synechococcus Elongatus PCC 7942 and Arabidopsis Thaliana
Plos One, 11, 2016
7OQ9
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BU of 7oq9 by Molmil
Ternary complex of 14-3-3 sigma, Pin1pS72 phosphopeptide, and WQ136
分子名称: 14-3-3 protein sigma, CHLORIDE ION, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, ...
著者Centorrino, F, Ottmann, C.
登録日2021-06-02
公開日2022-08-10
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A crystallography-based study of fragment extensions into the 14-3-3 binding groove
To Be Published
7OQA
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BU of 7oqa by Molmil
Ternary complex of 14-3-3 sigma, Pin1pS72 phosphopeptide, and WQ162
分子名称: 14-3-3 protein sigma, CHLORIDE ION, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, ...
著者Centorrino, F, Ottmann, C.
登録日2021-06-02
公開日2022-08-10
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A crystallography-based study of fragment extensions into the 14-3-3 binding groove
To Be Published
1WOF
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BU of 1wof by Molmil
Crystal Structure Of SARS-CoV Mpro in Complex with an Inhibitor N1
分子名称: 3C-like proteinase, N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]-L-ALANYL-L-VALYL-N~1~-((1S)-4-ETHOXY-4-OXO-1-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE
著者Yang, H, Bartlam, M, Xue, X, Yang, K, Liang, W, Rao, Z.
登録日2004-08-18
公開日2005-08-30
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Design of Wide-Spectrum Inhibitors Targeting Coronavirus Main Proteases.
Plos Biol., 3, 2005
5XNR
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BU of 5xnr by Molmil
Truncated AlyQ with CBM32 and alginate lyase domains
分子名称: ACETATE ION, AlyQ, CALCIUM ION, ...
著者Teh, A.H, Sim, P.F.
登録日2017-05-24
公開日2018-06-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Functional and Structural Studies of a Multidomain Alginate Lyase from Persicobacter sp. CCB-QB2.
Sci Rep, 7, 2017
1WTX
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BU of 1wtx by Molmil
Hyperthermophile chromosomal protein SAC7D single mutant V26A in complex with DNA GTAATTAC
分子名称: 5'-D(*GP*TP*AP*AP*TP*TP*AP*C)-3', DNA-binding proteins 7a/7b/7d
著者Chen, C.-Y, Ko, T.-P, Lin, T.-W, Chou, C.-C, Chen, C.-J, Wang, A.H.-J.
登録日2004-11-29
公開日2005-02-22
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Probing the DNA kink structure induced by the hyperthermophilic chromosomal protein Sac7d
NUCLEIC ACIDS RES., 33, 2005
7RWE
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BU of 7rwe by Molmil
Crystal structure of CDK2 liganded with compound GPHR787
分子名称: 5-nitro-2-[(3-phenylpropyl)amino]benzoic acid, Cyclin-dependent kinase 2
著者Sun, L, Schonbrunn, E.
登録日2021-08-19
公開日2022-08-24
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Screening through Lead Optimization of High Affinity, Allosteric Cyclin-Dependent Kinase 2 (CDK2) Inhibitors as Male Contraceptives That Reduce Sperm Counts in Mice.
J.Med.Chem., 66, 2023

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件を2024-08-21に公開中

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