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PDB: 534 件

6O7F
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Mycobacterium tuberculosis L-alanine dehydrogenase x-ray structure in complex with N6-isobutyl adenosine
分子名称: Alanine dehydrogenase, N-(2-methylpropanoyl)adenosine
著者Kim, H.-B, Hung, L.-W, Terwilliger, T.C, Kim, C.-Y, Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors (MTBI)
登録日2019-03-07
公開日2020-09-09
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.303 Å)
主引用文献Mycobacterium tuberculosis L-alanine dehydrogenase x-ray structure in complex with N6-isobutyl adenosine
To Be Published
4XTT
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Structural Studies of Potassium Transport Protein KtrA Regulator of Conductance of K+ (RCK) C domain in Complex with Cyclic Diadenosine Monophosphate (c-di-AMP)
分子名称: (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, Putative potassium transport protein
著者Kim, H, Youn, S.J, Kim, S.O, Ko, J, Lee, J.O, Choi, B.S.
登録日2015-01-24
公開日2015-05-20
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.708 Å)
主引用文献Structural Studies of Potassium Transport Protein KtrA Regulator of Conductance of K+ (RCK) C Domain in Complex with Cyclic Diadenosine Monophosphate (c-di-AMP)
J.Biol.Chem., 290, 2015
7CHT
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Crystal structure of TTK kinase domain in complex with compound 30
分子名称: 2-[[2-methoxy-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]-4-(oxan-4-ylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Dual specificity protein kinase TTK, MAGNESIUM ION
著者Kim, H.L, Cho, H.Y, Park, Y.W, Lee, Y.H, Ko, E.H, Choi, H.G, Son, J.B, Kim, N.D.
登録日2020-07-06
公開日2021-05-12
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献X-ray Crystal Structure-Guided Design and Optimization of 7 H -Pyrrolo[2,3- d ]pyrimidine-5-carbonitrile Scaffold as a Potent and Orally Active Monopolar Spindle 1 Inhibitor.
J.Med.Chem., 64, 2021
7CHM
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BU of 7chm by Molmil
Crystal structure of TTK kinase domain in complex with compound 8
分子名称: 4-(cyclohexylamino)-2-[(2-methoxy-4-morpholin-4-ylcarbonyl-phenyl)amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Dual specificity protein kinase TTK
著者Kim, H.L, Cho, H.Y, Park, Y.W, Lee, Y.H, Son, J.B, Ko, E.H, Choi, H.G, Kim, N.D.
登録日2020-07-06
公開日2021-05-12
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献X-ray Crystal Structure-Guided Design and Optimization of 7 H -Pyrrolo[2,3- d ]pyrimidine-5-carbonitrile Scaffold as a Potent and Orally Active Monopolar Spindle 1 Inhibitor.
J.Med.Chem., 64, 2021
7CHN
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BU of 7chn by Molmil
Crystal structure of TTK kinase domain in complex with compound 9
分子名称: 4-(cyclohexylamino)-2-[[2-methoxy-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Dual specificity protein kinase TTK
著者Kim, H.L, Cho, H.Y, Park, Y.W, Lee, Y.H, Son, J.B, Ko, E.H, Choi, H.G, Kim, N.D.
登録日2020-07-06
公開日2021-05-12
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献X-ray Crystal Structure-Guided Design and Optimization of 7 H -Pyrrolo[2,3- d ]pyrimidine-5-carbonitrile Scaffold as a Potent and Orally Active Monopolar Spindle 1 Inhibitor.
J.Med.Chem., 64, 2021
7CLH
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BU of 7clh by Molmil
Crystal structure of TTK kinase domain in complex with compound 19
分子名称: 2-[[2-methoxy-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]-4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Dual specificity protein kinase TTK
著者Kim, H.L, Cho, H.Y, Park, Y.W, Lee, Y.H, Son, J.B, Ko, E.H, Choi, H.G, Kim, N.D.
登録日2020-07-21
公開日2021-05-12
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献X-ray Crystal Structure-Guided Design and Optimization of 7 H -Pyrrolo[2,3- d ]pyrimidine-5-carbonitrile Scaffold as a Potent and Orally Active Monopolar Spindle 1 Inhibitor.
J.Med.Chem., 64, 2021
7CJA
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BU of 7cja by Molmil
Crystal structure of TTK kinase domain in complex with compound 28
分子名称: 4-(cyclopentylmethylamino)-2-[[2-methoxy-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Dual specificity protein kinase TTK
著者Kim, H.L, Cho, H.Y, Park, Y.W, Lee, Y.H, Son, J.B, Ko, E.H, Choi, H.G, Kim, N.D.
登録日2020-07-09
公開日2021-05-12
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献X-ray Crystal Structure-Guided Design and Optimization of 7 H -Pyrrolo[2,3- d ]pyrimidine-5-carbonitrile Scaffold as a Potent and Orally Active Monopolar Spindle 1 Inhibitor.
J.Med.Chem., 64, 2021
7CIL
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BU of 7cil by Molmil
Crystal structure of TTK kinase domain in complex with compound 7
分子名称: 4-(cyclohexylamino)-2-[(1-methylpyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Dual specificity protein kinase TTK
著者Kim, H.L, Cho, H.Y, Park, Y.W, Lee, Y.H, Son, J.B, Ko, E.H, Choi, H.G, Kim, N.D.
登録日2020-07-07
公開日2021-05-12
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献X-ray Crystal Structure-Guided Design and Optimization of 7 H -Pyrrolo[2,3- d ]pyrimidine-5-carbonitrile Scaffold as a Potent and Orally Active Monopolar Spindle 1 Inhibitor.
J.Med.Chem., 64, 2021
7BWK
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BU of 7bwk by Molmil
Structure of DotL(656-783)-IcmS-IcmW-LvgA-VpdB(461-590) derived from Legionella pneumophila
分子名称: Hypothetical virulence protein, IcmO (DotL), IcmS, ...
著者Kim, H, Kwak, M.J, Oh, B.H.
登録日2020-04-14
公開日2020-06-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.801 Å)
主引用文献Structural basis for effector protein recognition by the Dot/Icm Type IVB coupling protein complex.
Nat Commun, 11, 2020
4HC6
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BU of 4hc6 by Molmil
Mycobacterium tuberculosis Rv2523cE77A x-ray structure solved with 1.8 angstrom resolution
分子名称: BROMIDE ION, CHLORIDE ION, GLYCEROL, ...
著者Kim, H.-B, Han, G.-W, Hung, L.-W, Terwilliger, C.T, Kim, C.-Y, Integrated Center for Structure and Function Innovation (ISFI)
登録日2012-09-28
公開日2012-11-28
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Mycobacterium tuberculosis Rv2523cE77A x-ray structure solved with 1.8 angstrom resolution
To be Published
5X6Q
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BU of 5x6q by Molmil
Crystal structure of Pseudomonas fluorescens KMO in complex with Ro 61-8048
分子名称: 3,4-dimethoxy-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]benzenesulfonamide, FLAVIN-ADENINE DINUCLEOTIDE, Kynurenine 3-monooxygenase
著者Kim, H.T, Hwang, K.Y.
登録日2017-02-23
公開日2018-02-21
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.897 Å)
主引用文献Structural Basis for Inhibitor-Induced Hydrogen Peroxide Production by Kynurenine 3-Monooxygenase
Cell Chem Biol, 25, 2018
6KHM
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BU of 6khm by Molmil
Lipase (Open form)
分子名称: Hydrolase, alpha/beta domain protein, heptane-1,1-diol, ...
著者Kim, H.J, Kwon, A.R.
登録日2019-07-16
公開日2020-07-22
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Closed, blocked, and open states of lipase from type II Cutibacterium acnes
To Be Published
3WUT
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BU of 3wut by Molmil
Structure basis of inactivating cell abscission
分子名称: Centrosomal protein of 55 kDa, GLYCEROL, Inactive serine/threonine-protein kinase TEX14
著者Kim, H.J, Matsuura, A, Lee, H.H.
登録日2014-05-05
公開日2015-07-15
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.301 Å)
主引用文献Structural and biochemical insights into the role of testis-expressed gene 14 (TEX14) in forming the stable intercellular bridges of germ cells.
Proc.Natl.Acad.Sci.USA, 112, 2015
3WUV
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BU of 3wuv by Molmil
Structure basis of inactivating cell abscission with chimera peptide 2
分子名称: Centrosomal protein of 55 kDa, peptide from Programmed cell death 6-interacting protein
著者Kim, H.J, Matsuura, A, Lee, H.H.
登録日2014-05-05
公開日2015-07-15
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Structural and biochemical insights into the role of testis-expressed gene 14 (TEX14) in forming the stable intercellular bridges of germ cells.
Proc.Natl.Acad.Sci.USA, 112, 2015
6KHK
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BU of 6khk by Molmil
Lipase (Closed form)
分子名称: GLYCEROL, Hydrolase, alpha/beta domain protein
著者Kim, H.J, Kwon, A.R.
登録日2019-07-16
公開日2020-07-22
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Closed, blocked, and open states of lysophospholipase from type II Cutibacterium acnes
To Be Published
6KHL
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BU of 6khl by Molmil
Lipase (Blocked form)
分子名称: (2~{R})-1-phenylpropan-2-ol, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Kim, H.J, Kwon, A.R.
登録日2019-07-16
公開日2020-07-22
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Closed, blocked, and open states of lipase from type II Cutibacterium acnes
To Be Published
3LP6
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BU of 3lp6 by Molmil
Crystal Structure of Rv3275c-E60A from Mycobacterium tuberculosis at 1.7A resolution
分子名称: FORMIC ACID, GLYCEROL, Phosphoribosylaminoimidazole carboxylase catalytic subunit
著者Kim, H, Yu, M, Hung, L.-W, Terwilliger, T.C, Kim, C.-Y, Integrated Center for Structure and Function Innovation (ISFI), TB Structural Genomics Consortium (TBSGC)
登録日2010-02-04
公開日2010-06-16
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.702 Å)
主引用文献Crystal Structure of Rv3275c-E60A from Mycobacterium tuberculosis at 1.7A Resolution
To be Published
7WRQ
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BU of 7wrq by Molmil
Structure of Human IGF1/IGFBP3/ALS Ternary Complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Insulin-like growth factor-binding protein 3, Insulin-like growth factor-binding protein complex acid labile subunit, ...
著者Kim, H, Fu, Y, Kim, H.M.
登録日2022-01-27
公開日2022-08-10
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Structural basis for assembly and disassembly of the IGF/IGFBP/ALS ternary complex
Nat Commun, 13, 2022
3ULA
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BU of 3ula by Molmil
Crystal structure of the TV3 mutant F63W-MD-2-Eritoran complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-O-DECYL-2-DEOXY-6-O-{2-DEOXY-3-O-[(3R)-3-METHOXYDECYL]-6-O-METHYL-2-[(11Z)-OCTADEC-11-ENOYLAMINO]-4-O-PHOSPHONO-BETA-D-GLUCOPYRANOSYL}-2-[(3-OXOTETRADECANOYL)AMINO]-1-O-PHOSPHONO-ALPHA-D-GLUCOPYRANOSE, Lymphocyte antigen 96, ...
著者Kim, H.J, Cheong, H.K, Jeon, Y.H.
登録日2011-11-10
公開日2012-04-04
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献Structure-Based Rational Design of a Toll-like Receptor 4 (TLR4) Decoy Receptor with High Binding Affinity for a Target Protein.
Plos One, 7, 2012
3UL9
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BU of 3ul9 by Molmil
structure of the TV3 mutant M41E
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, SULFATE ION, Toll-like receptor 4, ...
著者Kim, H.J, Cheong, H.K, Jeon, Y.H.
登録日2011-11-10
公開日2012-05-23
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Structure-Based Rational Design of a Toll-like Receptor 4 (TLR4) Decoy Receptor with High Binding Affinity for a Target Protein.
Plos One, 7, 2012
6IOZ
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BU of 6ioz by Molmil
Structural insights of idursulfase beta
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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Kim, H, Kim, D, Hong, J, Lee, K, Seo, J, Oh, B.H.
登録日2018-11-01
公開日2018-11-28
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structural insights of idursulfase beta
To Be Published
5Y7X
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BU of 5y7x by Molmil
Human Peroxisome proliferator-activated receptor (PPAR) delta in complexed with a potent and selective agonist
分子名称: 2-[2-methyl-4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-selenazol-5-yl]methylsulfanyl]phenoxy]ethanoic acid, CHLORIDE ION, POTASSIUM ION, ...
著者Kim, H.L, Chin, J.W, Cho, S.J, Song, J.Y, Yoon, H.S, Bae, J.H.
登録日2017-08-18
公開日2018-08-01
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.699 Å)
主引用文献Highly potent and selective PPAR delta agonist reverses memory deficits in mouse models of Alzheimer's disease.
Theranostics, 14, 2024
3UL7
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BU of 3ul7 by Molmil
Crystal structure of the TV3 mutant F63W
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, SULFATE ION, Toll-like receptor 4, ...
著者Kim, H.J, Cheong, H.K, Jeon, Y.H.
登録日2011-11-10
公開日2012-04-04
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Structure-Based Rational Design of a Toll-like Receptor 4 (TLR4) Decoy Receptor with High Binding Affinity for a Target Protein.
Plos One, 7, 2012
3UL8
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Crystal structure of the TV3 mutant V134L
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, SULFATE ION, Toll-like receptor 4, ...
著者Kim, H.J, Cheong, H.K, Jeon, Y.H.
登録日2011-11-10
公開日2012-04-04
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure-Based Rational Design of a Toll-like Receptor 4 (TLR4) Decoy Receptor with High Binding Affinity for a Target Protein.
Plos One, 7, 2012
5ZHF
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BU of 5zhf by Molmil
Structure of VanYB unbound
分子名称: D-alanyl-D-alanine carboxypeptidase, GLYCEROL, TETRAETHYLENE GLYCOL, ...
著者Kim, H.S, Hahn, H.
登録日2018-03-13
公開日2018-09-05
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural basis for the substrate recognition of peptidoglycan pentapeptides by Enterococcus faecalis VanYB.
Int. J. Biol. Macromol., 119, 2018

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