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7CFZ
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BU of 7cfz by Molmil
SH3 domain of NADPH oxidase activator 1
分子名称: NADPH oxidase activator 1
著者Kim, M, Park, J.H, Attri, P, Lee, W.
登録日2020-06-29
公開日2021-07-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Structural modification of NADPH oxidase activator (Noxa 1) by oxidative stress: An experimental and computational study.
Int.J.Biol.Macromol., 163, 2020
7DCK
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BU of 7dck by Molmil
Crystal structure of phosphodiesterase tw9814
分子名称: Lactamase_B domain-containing protein, MANGANESE (II) ION
著者Heo, Y, Yun, J.H, Park, J.H, Park, S.B, Cha, S.S, Lee, W.
登録日2020-10-26
公開日2021-10-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Structural and functional identification of the uncharacterized metallo-beta-lactamase superfamily protein TW9814 as a phosphodiesterase with unique metal coordination.
Acta Crystallogr D Struct Biol, 78, 2022
7ELK
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BU of 7elk by Molmil
Solution structure of Terfa derived from Danio rerio
分子名称: Terfa protein
著者Yun, J.H, Kim, M, Lee, W.
登録日2021-04-11
公開日2022-04-13
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Solution structure of Terfa derived from Danio rerio
To Be Published
7CYU
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BU of 7cyu by Molmil
Crystal structure of human BAF57 HMG domain
分子名称: SULFATE ION, SWI/SNF-related matrix-associated actin-dependent regulator of chromatin subfamily E member 1
著者Heo, Y, Yun, J.H, Park, J.H, Lee, W.
登録日2020-09-04
公開日2020-10-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Crystal structure of the HMG domain of human BAF57 and its interaction with four-way junction DNA.
Biochem.Biophys.Res.Commun., 533, 2020
7FCI
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BU of 7fci by Molmil
human NTCP in complex with YN69083 Fab
分子名称: Fab Heavy chain, Fab Light chain, Sodium/bile acid cotransporter
著者Park, J.H, Iwamoto, M, Yun, J.H, Uchikubo-Kamo, T, Son, D, Jin, Z, Yoshida, H, Ohki, M, Ishimoto, N, Mizutani, K, Oshima, M, Muramatsu, M, Wakita, T, Shirouzu, M, Liu, K, Uemura, T, Nomura, N, Iwata, S, Watashi, K, Tame, J.R.H, Nishizawa, T, Lee, W, Park, S.Y.
登録日2021-07-14
公開日2022-05-25
最終更新日2022-07-13
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structural insights into the HBV receptor and bile acid transporter NTCP.
Nature, 606, 2022
6B16
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BU of 6b16 by Molmil
P21-activated kinase 1 in complex with a 4-azaindole inhibitor
分子名称: N~4~-(5-cyclopropyl-1H-pyrazol-3-yl)-N~2~-[(1S)-1-(1H-pyrrolo[3,2-b]pyridin-5-yl)ethyl]pyrimidine-2,4-diamine, SULFATE ION, Serine/threonine-protein kinase PAK 1
著者Rouge, L, Wang, W.
登録日2017-09-16
公開日2017-10-25
実験手法X-RAY DIFFRACTION (2.285 Å)
主引用文献Synthesis and evaluation of a series of 4-azaindole-containing p21-activated kinase-1 inhibitors.
Bioorg. Med. Chem. Lett., 26, 2016
2LGD
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BU of 2lgd by Molmil
The high resolution structure of ubiquitin like domain of UBLCP1
分子名称: Ubiquitin-like domain-containing CTD phosphatase 1
著者Lee, W, Ko, S.
登録日2011-07-25
公開日2012-08-29
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献The High Resolution Structure of Ubiquitin Like Dom Ublcp1
To be Published
2MVF
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BU of 2mvf by Molmil
Structural insight into an essential assembly factor network on the pre-ribosome
分子名称: Uncharacterized protein
著者Lee, W, Bassler, J, Paternoga, H, Holdermann, I, Thomas, M, Granneman, S, Barrio-Garcia, C, Nyarko, A, Stier, G, Clark, S.A, Schraivogel, D, Kallas, M, Beckmann, R, Tollervey, D, Barbar, E, Sinning, I, Hurt, E.
登録日2014-10-02
公開日2014-12-03
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献A network of assembly factors is involved in remodeling rRNA elements during preribosome maturation.
J.Cell Biol., 207, 2014
5V6L
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BU of 5v6l by Molmil
Crystal Structure of Rabbit Anti-HIV-1 gp120 V3 Fab 10A37 in complex with V3 peptide JR-FL
分子名称: Envelope glycoprotein, v3 region, Heavy chain of Fab fragment of rabbit anti-HIV1 gp120 V3 mAb 10A37, ...
著者Pan, R, Kong, X.-P.
登録日2017-03-17
公開日2018-01-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.549 Å)
主引用文献Increased epitope complexity correlated with antibody affinity maturation and a novel binding mode revealed by structures of rabbit antibodies against the third variable loop (V3) of HIV-1 gp120.
J. Virol., 2018
1FMX
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BU of 1fmx by Molmil
STRUCTURE OF NATIVE PROTEINASE A IN THE SPACE GROUP P21
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, SACCHAROPEPSIN, ...
著者Gustchina, A, Li, M, Phylip, L.H, Lees, W.E, Kay, J, Wlodawer, A.
登録日2000-08-18
公開日2002-07-31
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献An unusual orientation for Tyr75 in the active site of the aspartic proteinase from Saccharomyces cerevisiae.
Biochem.Biophys.Res.Commun., 295, 2002
1FMU
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BU of 1fmu by Molmil
STRUCTURE OF NATIVE PROTEINASE A IN P3221 SPACE GROUP.
分子名称: 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, SACCHAROPEPSIN, ...
著者Gustchina, A, Li, M, Phylip, L.H, Lees, W.E, Kay, J, Wlodawer, A.
登録日2000-08-18
公開日2002-07-31
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献An unusual orientation for Tyr75 in the active site of the aspartic proteinase from Saccharomyces cerevisiae.
Biochem.Biophys.Res.Commun., 295, 2002
5V6M
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BU of 5v6m by Molmil
Crystal Structure of Rabbit Anti-HIV-1 gp120 V3 Fab 10A3 in complex with V3 peptide ConB
分子名称: CALCIUM ION, Envelope glycoprotein gp120 V3 peptide of Con B sequence, Heavy chain of Fab fragment of rabbit anti-HIV1 gp120 V3 mAb 10A3, ...
著者Pan, R, Kong, X.-P.
登録日2017-03-17
公開日2018-01-17
最終更新日2019-12-11
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Increased epitope complexity correlated with antibody affinity maturation and a novel binding mode revealed by structures of rabbit antibodies against the third variable loop (V3) of HIV-1 gp120.
J. Virol., 2018
2WCV
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BU of 2wcv by Molmil
Crystal structure of bacterial FucU
分子名称: L-FUCOSE MUTAROTASE, alpha-L-fucopyranose
著者Lee, K.-H, Kim, M.-S, Suh, H.-Y, Ku, B, Song, Y.-L, Oh, B.-H.
登録日2009-03-17
公開日2009-11-10
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal Structures and Enzyme Mechanism of a Dual Fucose Mutarotase/Ribose Pyranase
J.Mol.Biol., 391, 2009
1JJG
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BU of 1jjg by Molmil
Solution Structure of Myxoma Virus Protein M156R
分子名称: M156R
著者Ramelot, T.A, Cort, J.R, Yee, A.A, Arrowsmith, C.H, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG)
登録日2001-07-05
公開日2002-03-06
最終更新日2024-05-08
実験手法SOLUTION NMR
主引用文献Myxoma virus immunomodulatory protein M156R is a structural mimic of eukaryotic translation initiation factor eIF2alpha.
J.Mol.Biol., 322, 2002
5DGZ
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BU of 5dgz by Molmil
Discovery of 3,5-substituted 6-azaindazoles as potent pan-Pim inhibitors
分子名称: (2S)-1-(1H-INDOL-3-YL)-3-{[5-(3-METHYL-1H-INDAZOL-5-YL)PYRIDIN-3-YL]OXY}PROPAN-2-AMINE, PHOSPHATE ION, Serine/threonine-protein kinase pim-1
著者Murray, J.M, Wallweber, H, Steffek, M.
登録日2015-08-29
公開日2015-10-28
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.502 Å)
主引用文献Discovery of 3,5-substituted 6-azaindazoles as potent pan-Pim inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
5DHJ
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BU of 5dhj by Molmil
PIM1 in complex with Cpd4 (3-methyl-5-(pyridin-3-yl)-1H-pyrazolo[3,4-c]pyridine)
分子名称: 3-methyl-5-(pyridin-3-yl)-2H-pyrazolo[3,4-c]pyridine, PHOSPHATE ION, Serine/threonine-protein kinase pim-1
著者Murray, J.M, Wallweber, H.
登録日2015-08-31
公開日2015-10-28
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.457 Å)
主引用文献Discovery of 3,5-substituted 6-azaindazoles as potent pan-Pim inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
4ZY4
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BU of 4zy4 by Molmil
Crystal structure of P21 activated kinase 1 in complex with an inhibitor compound 4
分子名称: 2-(4-aminopiperidin-1-yl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine, DIMETHYL SULFOXIDE, SULFATE ION, ...
著者Rouge, R, Wang, W.
登録日2015-05-21
公開日2015-07-01
最終更新日2015-07-15
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure-Guided Design of Group I Selective p21-Activated Kinase Inhibitors.
J.Med.Chem., 58, 2015
5BMS
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BU of 5bms by Molmil
Crystal structure of P21-activated kinase 4 in complex with an inhibitor compound 29
分子名称: N~2~-[(7-chloro-1H-benzimidazol-6-yl)methyl]-N~4~-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine, Serine/threonine-protein kinase PAK 4
著者Rouge, L, Wang, W.
登録日2015-05-22
公開日2015-07-01
最終更新日2015-07-15
実験手法X-RAY DIFFRACTION (2.903 Å)
主引用文献Structure-Guided Design of Group I Selective p21-Activated Kinase Inhibitors.
J.Med.Chem., 58, 2015
4ZY6
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BU of 4zy6 by Molmil
Crystal structure of P21-activated kinase 1 in complex with an inhibitor compound 29
分子名称: N~2~-[(7-chloro-1H-benzimidazol-6-yl)methyl]-N~4~-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine, SULFATE ION, Serine/threonine-protein kinase PAK 1
著者Rouge, L, Wang, W.
登録日2015-05-21
公開日2015-07-01
最終更新日2015-12-16
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structure-Guided Design of Group I Selective p21-Activated Kinase Inhibitors.
J.Med.Chem., 58, 2015
4ZY5
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BU of 4zy5 by Molmil
Crystal Structure of p21-activated kinase 1 in complex with an inhibitor compound 17
分子名称: DIMETHYL SULFOXIDE, N~2~-[(trans-4-aminocyclohexyl)methyl]-N~4~-(3-cyclopropyl-1H-pyrazol-5-yl)pyrimidine-2,4-diamine, SULFATE ION, ...
著者Rouge, L, Wang, W.
登録日2015-05-21
公開日2015-07-01
最終更新日2015-07-15
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structure-Guided Design of Group I Selective p21-Activated Kinase Inhibitors.
J.Med.Chem., 58, 2015
6G4Y
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BU of 6g4y by Molmil
Crystal structure of murine NF-kappaB inducing kinase (NIK) in complex with compound 1a
分子名称: 10-[2-[(3~{R})-1-methyl-3-oxidanyl-2-oxidanylidene-pyrrolidin-3-yl]ethynyl]-~{N}3-(oxan-4-yl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2,3-dicarboxamide, Mitogen-activated protein kinase kinase kinase 14, SULFATE ION
著者Hole, A.J, Hymowitz, S.G, McEwan, P.A.
登録日2018-03-28
公開日2018-07-04
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Scaffold-Hopping Approach To Discover Potent, Selective, and Efficacious Inhibitors of NF-kappa B Inducing Kinase.
J. Med. Chem., 61, 2018
6G4Z
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BU of 6g4z by Molmil
Crystal structure of murine NF-kappaB inducing kinase (NIK) in complex with compound 2f
分子名称: 5-fluoranyl-1-[4-[2-[(3~{R})-1-methyl-3-oxidanyl-2-oxidanylidene-pyrrol-3-yl]ethynyl]pyridin-2-yl]indazole-3-carboxamide, Mitogen-activated protein kinase kinase kinase 14
著者Leonardo-Silvestre, H, McEwan, P.A, Hymowitz, S.G.
登録日2018-03-28
公開日2018-07-04
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.84 Å)
主引用文献Scaffold-Hopping Approach To Discover Potent, Selective, and Efficacious Inhibitors of NF-kappa B Inducing Kinase.
J. Med. Chem., 61, 2018
5DFP
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BU of 5dfp by Molmil
Crystal structure of PAK1 in complex with an inhibitor compound FRAX1036
分子名称: 6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-8-ethyl-2-{[2-(1-methylpiperidin-4-yl)ethyl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one, DIMETHYL SULFOXIDE, Serine/threonine-protein kinase PAK 1
著者Maksimoska, J, Marmorstein, R, Wang, W.
登録日2015-08-27
公開日2016-01-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Design of Selective PAK1 Inhibitor G-5555: Improving Properties by Employing an Unorthodox Low-pK a Polar Moiety.
Acs Med.Chem.Lett., 6, 2015
5DEY
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BU of 5dey by Molmil
Crystal structure of PAK1 in complex with an inhibitor compound G-5555
分子名称: 8-[(trans-5-amino-1,3-dioxan-2-yl)methyl]-6-[2-chloro-4-(6-methylpyridin-2-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7(8H)-one, Serine/threonine-protein kinase PAK 1
著者Oh, A, Tam, C, Wang, W.
登録日2015-08-26
公開日2016-01-27
最終更新日2016-06-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Design of Selective PAK1 Inhibitor G-5555: Improving Properties by Employing an Unorthodox Low-pK a Polar Moiety.
Acs Med.Chem.Lett., 6, 2015
2P3U
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BU of 2p3u by Molmil
Crystal structure of human factor XA complexed with 3-chloro-N-(4-chloro-2-{[(5-chloropyridin-2-yl)amino]carbonyl}-6-methoxyphenyl)-4-[(1-methyl-1H-imidazol-2-yl)methyl]thiophene-2-carboxamide {Pfizer 320663}
分子名称: 3-CHLORO-N-(4-CHLORO-2-{[(5-CHLOROPYRIDIN-2-YL)AMINO]CARBONYL}-6-METHOXYPHENYL)-4-[(1-METHYL-1H-IMIDAZOL-2-YL)METHYL]THIOPHENE-2-CARBOXAMIDE, CALCIUM ION, Coagulation factor X
著者Adler, M, Whitlow, M.
登録日2007-03-09
公開日2007-09-11
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献

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