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5HYX
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BU of 5hyx by Molmil
Plant peptide hormone receptor RGFR1 in complex with RGF1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, PTR-SER-ASN-PRO-GLY-HIS-HIS-PRO-HYP-ARG-HIS-ASN, ...
著者Song, W, Han, Z, Chai, J.
登録日2016-02-02
公開日2017-01-11
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.596 Å)
主引用文献Signature motif-guided identification of receptors for peptide hormones essential for root meristem growth
Cell Res., 26, 2016
1C9Q
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BU of 1c9q by Molmil
AVERAGE NMR SOLUTION STRUCTURE OF THE BIR-2 DOMAIN OF XIAP
分子名称: APOPTOSIS INHIBITOR IAP HOMOLOG, ZINC ION
著者Meadows, R.P, Fesik, S.W.
登録日1999-08-03
公開日2000-08-09
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献NMR structure and mutagenesis of the inhibitor-of-apoptosis protein XIAP.
Nature, 401, 1999
6AKK
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BU of 6akk by Molmil
Crystal structure of the second Coiled-coil domain of SIKE1
分子名称: GLYCEROL, Suppressor of IKBKE 1
著者Zhou, L, Chen, M, Zhou, Z.C.
登録日2018-09-02
公開日2019-01-16
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Architecture, substructures, and dynamic assembly of STRIPAK complexes in Hippo signaling.
Cell Discov, 5, 2019
6JV0
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BU of 6jv0 by Molmil
Crystal Structure of N-terminal domain of ArgZ, bound to Product, an arginine dihydrolase from the Ornithine-Ammonia Cycle in Cyanobacteria
分子名称: 1,2-ETHANEDIOL, L-ornithine, Sll1336 protein
著者Zhuang, N, Li, L, Wu, X, Zhang, Y.
登録日2019-04-15
公開日2020-01-15
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.14 Å)
主引用文献Crystal structures and biochemical analyses of the bacterial arginine dihydrolase ArgZ suggests a "bond rotation" catalytic mechanism.
J.Biol.Chem., 295, 2020
6JUY
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BU of 6juy by Molmil
Crystal Structure of ArgZ, apo structure, an Arginine Dihydrolase from the Ornithine-Ammonia Cycle in Cyanobacteria
分子名称: Sll1336 protein
著者Zhuang, N, Li, L, Wu, X, Zhang, Y.
登録日2019-04-15
公開日2020-01-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.97 Å)
主引用文献Crystal structures and biochemical analyses of the bacterial arginine dihydrolase ArgZ suggests a "bond rotation" catalytic mechanism.
J.Biol.Chem., 295, 2020
6JV1
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BU of 6jv1 by Molmil
Crystal Structure of N-terminal domain of ArgZ, C264S mutant, bound to Substrate, an arginine dihydrolase from the Ornithine-Ammonia Cycle in Cyanobacteria
分子名称: ARGININE, Sll1336 protein
著者Zhuang, N, Li, L, Wu, X, Zhang, Y.
登録日2019-04-15
公開日2020-01-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Crystal structures and biochemical analyses of the bacterial arginine dihydrolase ArgZ suggests a "bond rotation" catalytic mechanism.
J.Biol.Chem., 295, 2020
7T79
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BU of 7t79 by Molmil
CRYSTAL STRUCTURE OF GLUCOKINASE (HEXOKINASE 4) COMPLEXED WITH LIGAND AKA DIETHYL {[3-(3-{[5-(AZETIDINE-1-CARBON YL)PYRAZIN-2-YL]OXY}-5-(PROPAN-2-YLOXY)BENZAMIDO)-1H- PYRAZOL-1-YL]METHYL}PHOSPHONATE
分子名称: Isoform 2 of Hexokinase-4, alpha-D-glucopyranose, diethyl {[3-(3-{[5-(azetidine-1-carbonyl)pyrazin-2-yl]oxy}-5-[(propan-2-yl)oxy]benzamido)-1H-pyrazol-1-yl]methyl}phosphonate
著者Muckelbauer, J.K.
登録日2021-12-14
公開日2022-03-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery of a Partial Glucokinase Activator Clinical Candidate: Diethyl ((3-(3-((5-(Azetidine-1-carbonyl)pyrazin-2-yl)oxy)-5-isopropoxybenzamido)-1 H -pyrazol-1-yl)methyl)phosphonate (BMS-820132).
J.Med.Chem., 65, 2022
7T78
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BU of 7t78 by Molmil
CRYSTAL STRUCTURE OF GLUCOKINASE (HEXOKINASE 4) COMPLEXED WITH LIGAND DIETHYL ({2-[3-(4-METHANESULFONYLPHENO XY)-5-{[(2S)-1-METHOXYPROPAN-2-YL]OXY}BENZAMIDO]-1,3-THIAZ OL-4-YL}METHYL)PHOSPHONATE
分子名称: 1,2-ETHANEDIOL, Isoform 2 of Hexokinase-4, SODIUM ION, ...
著者Muckelbauer, J.K.
登録日2021-12-14
公開日2022-03-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery of a Partial Glucokinase Activator Clinical Candidate: Diethyl ((3-(3-((5-(Azetidine-1-carbonyl)pyrazin-2-yl)oxy)-5-isopropoxybenzamido)-1 H -pyrazol-1-yl)methyl)phosphonate (BMS-820132).
J.Med.Chem., 65, 2022
6FBV
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BU of 6fbv by Molmil
Single particle cryo em structure of Mycobacterium tuberculosis RNA polymerase in complex with Fidaxomicin
分子名称: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
著者Das, K, Lin, W, Ebright, E.
登録日2017-12-19
公開日2018-02-28
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.52 Å)
主引用文献Structural Basis of Transcription Inhibition by Fidaxomicin (Lipiarmycin A3).
Mol. Cell, 70, 2018
3V3Q
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BU of 3v3q by Molmil
Crystal Structure of Human Nur77 Ligand-binding Domain in Complex with Ethyl 2-[2,3,4 trimethoxy-6(1-octanoyl)phenyl]acetate
分子名称: GLYCEROL, Nuclear receptor subfamily 4 group A member 1, SODIUM ION, ...
著者Zhang, Q, Shi, C, Yang, K, Chen, Y, Zhan, Y, Wu, Q, Lin, T.
登録日2011-12-14
公開日2012-09-26
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献The orphan nuclear receptor Nur77 regulates LKB1 localization and activates AMPK
Nat.Chem.Biol., 8, 2012
3V3E
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BU of 3v3e by Molmil
Crystal Structure of the Human Nur77 Ligand-binding Domain
分子名称: GLYCEROL, Nuclear receptor subfamily 4 group A member 1
著者Zhang, Q, Shi, C, Yang, K, Chen, Y, Zhan, Y, Wu, Q, Lin, T.
登録日2011-12-13
公開日2012-09-26
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献The orphan nuclear receptor Nur77 regulates LKB1 localization and activates AMPK
Nat.Chem.Biol., 8, 2012
6A7A
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BU of 6a7a by Molmil
AKR1C1 complexed with new inhibitor with novel scaffold
分子名称: (4R)-6-amino-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-3-propyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile, Aldo-keto reductase family 1 member C1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Zheng, X, Zhao, Y, Zhang, H, Chen, Y.
登録日2018-07-02
公開日2019-07-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Screening, synthesis, crystal structure, and molecular basis of 6-amino-4-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitriles as novel AKR1C3 inhibitors.
Bioorg.Med.Chem., 26, 2018
4JGV
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BU of 4jgv by Molmil
Crystal Structure of Human Nur77 Ligand-binding Domain in Complex with THPN
分子名称: 1-(3,4,5-trihydroxyphenyl)nonan-1-one, GLYCEROL, Nuclear receptor subfamily 4 group A member 1
著者Zhang, Q, Li, F, Li, A, Tian, X, Wan, W, Wan, Y, Chen, H, Xing, Y, Wu, Q, Lin, T.
登録日2013-03-04
公開日2013-12-18
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (3.01 Å)
主引用文献Orphan nuclear receptor TR3 acts in autophagic cell death via mitochondrial signaling pathway.
Nat.Chem.Biol., 10, 2014
5HW6
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BU of 5hw6 by Molmil
Candida albicans FKBP12 apo protein in C2 space group
分子名称: ACETATE ION, FK506-binding protein 1
著者Tonthat, N.K, Schumacher, M.A.
登録日2016-01-28
公開日2016-09-14
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.401 Å)
主引用文献Structures of Pathogenic Fungal FKBP12s Reveal Possible Self-Catalysis Function.
Mbio, 7, 2016
5HT1
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BU of 5ht1 by Molmil
Structure of apo C. glabrata FKBP12
分子名称: FK506-binding protein 1
著者Schumacher, M.A.
登録日2016-01-26
公開日2016-09-14
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.651 Å)
主引用文献Structures of Pathogenic Fungal FKBP12s Reveal Possible Self-Catalysis Function.
Mbio, 7, 2016
5HW8
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BU of 5hw8 by Molmil
Candida albicans FKBP12 P104G protein bound with FK506 in C2 space group
分子名称: 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN, FK506-binding protein 1
著者Tonthat, N.K, Schumacher, M.A.
登録日2016-01-28
公開日2016-09-14
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.86 Å)
主引用文献Structures of Pathogenic Fungal FKBP12s Reveal Possible Self-Catalysis Function.
Mbio, 7, 2016
5HUA
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BU of 5hua by Molmil
Structure of C. glabrata FKBP12-FK506 complex
分子名称: 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN, FK506-binding protein 1
著者Schumacher, M.A.
登録日2016-01-27
公開日2016-09-14
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structures of Pathogenic Fungal FKBP12s Reveal Possible Self-Catalysis Function.
Mbio, 7, 2016
5HW7
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BU of 5hw7 by Molmil
Candida albicans FKBP12 apo protein in P21212 space group
分子名称: FK506-binding protein 1
著者Tonthat, N.K, Schumacher, M.A.
登録日2016-01-28
公開日2016-09-14
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.291 Å)
主引用文献Structures of Pathogenic Fungal FKBP12s Reveal Possible Self-Catalysis Function.
Mbio, 7, 2016
5HTG
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BU of 5htg by Molmil
Structure of apo P1 form of Candida albicans FKBP12
分子名称: FK506-binding protein 1
著者Schumacher, M.A.
登録日2016-01-26
公開日2016-09-14
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structures of Pathogenic Fungal FKBP12s Reveal Possible Self-Catalysis Function.
Mbio, 7, 2016
5HWC
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BU of 5hwc by Molmil
Aspergillus fumigatus FKBP12 P90G protein bound with FK506 in P212121 space group
分子名称: 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN, FK506-binding protein 1A
著者Tonthat, N.K, Schumacher, M.A.
登録日2016-01-29
公開日2016-09-14
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structures of Pathogenic Fungal FKBP12s Reveal Possible Self-Catalysis Function.
Mbio, 7, 2016
5I98
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BU of 5i98 by Molmil
Structure of apo FKBP12(P104G) from C. albicans
分子名称: FK506-binding protein 1
著者Schumacher, M.A.
登録日2016-02-19
公開日2016-09-14
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.999 Å)
主引用文献Structures of Pathogenic Fungal FKBP12s Reveal Possible Self-Catalysis Function.
Mbio, 7, 2016
6KBD
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BU of 6kbd by Molmil
fused To-MtbCsm1 with 2dATP
分子名称: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CRISPR system single-strand-specific deoxyribonuclease Cas10/Csm1 (subtype III-A),CRISPR system single-strand-specific deoxyribonuclease Cas10/Csm1 (subtype III-A), MAGNESIUM ION
著者Li, T, Huo, Y, Jiang, T.
登録日2019-06-24
公開日2020-06-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Mycobacterium tuberculosis CRISPR/Cas system Csm1 holds clues to the evolutionary relationship between DNA polymerase and cyclase activity.
Int.J.Biol.Macromol., 170, 2020
4LA3
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BU of 4la3 by Molmil
Crystal structure of dimethylsulphoniopropionate (DMSP) lyase DddQ Y131A in complex with DMSP
分子名称: 3-(dimethyl-lambda~4~-sulfanyl)propanoic acid, Dimethylsulphoniopropionate (DMSP) lyase DddQ, ZINC ION
著者Zhang, Y, Li, C.
登録日2013-06-19
公開日2014-01-15
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.701 Å)
主引用文献Molecular insight into bacterial cleavage of oceanic dimethylsulfoniopropionate into dimethyl sulfide
Proc.Natl.Acad.Sci.USA, 111, 2014
4LA2
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BU of 4la2 by Molmil
Crystal structure of dimethylsulphoniopropionate (DMSP) lyase DddQ
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Dimethylsulphoniopropionate (DMSP) lyase DddQ, ZINC ION
著者Zhang, Y, Li, C.
登録日2013-06-19
公開日2014-01-15
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Molecular insight into bacterial cleavage of oceanic dimethylsulfoniopropionate into dimethyl sulfide
Proc.Natl.Acad.Sci.USA, 111, 2014
1IKY
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BU of 1iky by Molmil
HIV-1 Reverse Transcriptase in Complex with the Inhibitor MSC194
分子名称: 1-[2-(3-ACETYL-2-HYDROXY-6-METHOXY-PHENYL)-CYCLOPROPYL]-3-(5-CYANO-PYRIDIN-2-YL)-THIOUREA, POL POLYPROTEIN
著者Lindberg, J, Unge, T.
登録日2001-05-07
公開日2001-06-06
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural basis for the inhibitory efficacy of efavirenz (DMP-266), MSC194 and PNU142721 towards the HIV-1 RT K103N mutant.
Eur.J.Biochem., 269, 2002

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