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7KKO
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BU of 7kko by Molmil
Structure of the catalytic domain of tankyrase 1 in complex with olaparib
分子名称: 4-(3-{[4-(cyclopropylcarbonyl)piperazin-1-yl]carbonyl}-4-fluorobenzyl)phthalazin-1(2H)-one, Poly [ADP-ribose] polymerase, ZINC ION
著者Gajiwala, K.S, Ryan, K.
登録日2020-10-27
公開日2021-01-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Dissecting the molecular determinants of clinical PARP1 inhibitor selectivity for tankyrase1.
J.Biol.Chem., 296, 2021
2ZPC
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BU of 2zpc by Molmil
Crystal structure of the R43L mutant of LolA in the closed form
分子名称: Outer-membrane lipoprotein carrier protein
著者Takeda, K, Yokota, N, Oguchi, Y, Tokuda, H, Miki, K.
登録日2008-07-10
公開日2008-08-05
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Opening and closing of the hydrophobic cavity of LolA coupled to lipoprotein binding and release.
J.Biol.Chem., 283, 2008
4CSK
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BU of 4csk by Molmil
human Aquaporin
分子名称: AQUAPORIN-1
著者Ruiz-Carrillo, D, To-Yiu-Ying, J, Darwis, D, Soon, C.H, Cornvik, T, Torres, J, Lescar, J.
登録日2014-03-08
公開日2014-12-24
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.28 Å)
主引用文献Crystallization and Preliminary Crystallographic Analysis of Human Aquaporin 1 at a Resolution of 3.28 A.
Acta Crystallogr.,Sect.F, 70, 2014
6MJL
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BU of 6mjl by Molmil
Crystal structure of ChREBP NLS peptide bound to importin alpha.
分子名称: ChREBP Peptide ASN-TYR-TRP-LYS-ARG-ARG-ILE-GLU-VAL, Importin subunit alpha-1
著者Jung, H, Uyeda, K.
登録日2018-09-21
公開日2019-09-25
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The structure of importin alpha and the nuclear localization peptide of ChREBP, and small compound inhibitors of ChREBP-importin alpha interactions.
Biochem.J., 477, 2020
3IAD
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BU of 3iad by Molmil
Crystal structure of human phosphodiesterase 4D with bound allosteric modulator
分子名称: 1-{4-[(2-fluoro-6-methoxy-3'-nitrobiphenyl-3-yl)methyl]phenyl}urea, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, MAGNESIUM ION, ...
著者Staker, B.L, Burgin Jr, A.B.
登録日2009-07-13
公開日2010-01-05
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Design of phosphodiesterase 4D (PDE4D) allosteric modulators for enhancing cognition with improved safety.
Nat.Biotechnol., 28, 2010
7KKM
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BU of 7kkm by Molmil
Structure of the catalytic domain of tankyrase 1
分子名称: Poly [ADP-ribose] polymerase, ZINC ION
著者Gajiwala, K.S, Ryan, K.
登録日2020-10-27
公開日2021-01-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Dissecting the molecular determinants of clinical PARP1 inhibitor selectivity for tankyrase1.
J.Biol.Chem., 296, 2021
3ICN
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BU of 3icn by Molmil
Trypanosoma cruzi farnesyl diphosphate synthase homodimer in complex with isopentenyl pyrophosphate and 3-Fluoro-1-(2-hydroxy-2,2-bis-phosphono-ethyl)-pyridinium
分子名称: 3-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM, 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Farnesyl pyrophosphate synthase, ...
著者Amzel, L.M, Huang, C.H, Gabelli, S.B, Oldfield, E.
登録日2009-07-17
公開日2010-02-09
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Binding of nitrogen-containing bisphosphonates (N-BPs) to the Trypanosoma cruzi farnesyl diphosphate synthase homodimer.
Proteins, 78, 2010
1WD9
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BU of 1wd9 by Molmil
Calcium bound form of human peptidylarginine deiminase type4 (PAD4)
分子名称: CALCIUM ION, Protein-arginine deiminase type IV, SULFATE ION
著者Arita, K, Hashimoto, H, Shimizu, T, Nakashima, K, Yamada, M, Sato, M.
登録日2004-05-12
公開日2004-07-13
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural basis for Ca(2+)-induced activation of human PAD4
Nat.Struct.Mol.Biol., 11, 2004
2ZMD
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BU of 2zmd by Molmil
Crystal structure of human Mps1 catalytic domain T686A mutant in complex with SP600125 inhibitor
分子名称: 2,6-DIHYDROANTHRA/1,9-CD/PYRAZOL-6-ONE, 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, Dual specificity protein kinase TTK
著者Chu, M.L.H, Chavas, L.M.G, Douglas, K.T, Eyers, P.A, Tabernero, L.
登録日2008-04-16
公開日2008-05-13
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.88 Å)
主引用文献Crystal structure of the catalytic domain of the mitotic checkpoint kinase Mps1 in complex with SP600125.
J.Biol.Chem., 283, 2008
8J1V
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BU of 8j1v by Molmil
Cryo-EM structure of SARS-CoV2 Omicron BA.5 spike in complex with 8-9D Fabs
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 8-9D heavy chain, 8-9D light chain, ...
著者Xiang, Y, Li, R.
登録日2023-04-13
公開日2023-11-29
最終更新日2023-12-20
実験手法ELECTRON MICROSCOPY (3.01 Å)
主引用文献A lung-selective delivery of mRNA encoding broadly neutralizing antibody against SARS-CoV-2 infection.
Nat Commun, 14, 2023
3IJF
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BU of 3ijf by Molmil
Crystal structure of cytidine deaminase from Mycobacterium tuberculosis
分子名称: Cytidine deaminase, ZINC ION
著者De Azevedo Jr, W.F, Basso, L.A, Santos, D.S.
登録日2009-08-04
公開日2010-03-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Structural and functional analyses of Mycobacterium tuberculosis Rv3315c-encoded metal-dependent homotetrameric cytidine deaminase.
J.Struct.Biol., 169, 2010
3IE5
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BU of 3ie5 by Molmil
Crystal structure of Hyp-1 protein from Hypericum perforatum (St John's wort) involved in hypericin biosynthesis
分子名称: 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Michalska, K, Fernandes, H, Sikorski, M.M, Jaskolski, M.
登録日2009-07-22
公開日2009-11-10
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.688 Å)
主引用文献Crystal structure of Hyp-1, a St. John's wort protein implicated in the biosynthesis of hypericin
J.Struct.Biol., 169, 2010
7KKN
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BU of 7kkn by Molmil
Structure of the catalytic domain of tankyrase 1 in complex with talazoparib
分子名称: (8S,9R)-5-fluoro-8-(4-fluorophenyl)-9-(1-methyl-1H-1,2,4-triazol-5-yl)-2,7,8,9-tetrahydro-3H-pyrido[4,3,2-de]phthalazin-3-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Poly [ADP-ribose] polymerase, ...
著者Gajiwala, K.S, Ryan, K.
登録日2020-10-27
公開日2021-01-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Dissecting the molecular determinants of clinical PARP1 inhibitor selectivity for tankyrase1.
J.Biol.Chem., 296, 2021
4QMN
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BU of 4qmn by Molmil
MST3 in complex with BOSUTINIB
分子名称: 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile, Serine/threonine-protein kinase 24
著者Olesen, S.H, Watts, C, Zhu, J.-Y, Schonbrunn, E.
登録日2014-06-16
公開日2015-07-01
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.091 Å)
主引用文献Discovery of Diverse Small-Molecule Inhibitors of Mammalian Sterile20-like Kinase 3 (MST3).
Chemmedchem, 11, 2016
8JB7
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BU of 8jb7 by Molmil
Crystal structure of CMY-185
分子名称: Beta-lactamase, SULFATE ION
著者Kawai, A, Doi, Y.
登録日2023-05-08
公開日2023-12-13
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Structural insights into the molecular mechanism of high-level ceftazidime-avibactam resistance conferred by CMY-185.
Mbio, 15, 2024
8JB8
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BU of 8jb8 by Molmil
Crystal structure of CMY-185 complex with ceftazidime
分子名称: ACYLATED CEFTAZIDIME, Beta-lactamase
著者Kawai, A, Doi, Y.
登録日2023-05-08
公開日2023-12-13
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural insights into the molecular mechanism of high-level ceftazidime-avibactam resistance conferred by CMY-185.
Mbio, 15, 2024
7ENQ
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BU of 7enq by Molmil
Crystal structure of human NAMPT in complex with compound NAT
分子名称: 2-(2-~{tert}-butylphenoxy)-~{N}-(4-hydroxyphenyl)ethanamide, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION
著者Wang, G, Wu, C, Liu, M, Yao, H, Li, C, Wang, L, Tang, Y.
登録日2021-04-19
公開日2022-05-04
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.204966 Å)
主引用文献Discovery of small-molecule activators of nicotinamide phosphoribosyltransferase (NAMPT) and their preclinical neuroprotective activity.
Cell Res., 32, 2022
3IMY
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BU of 3imy by Molmil
Structure of TR-beta bound to selective thyromimetic GC-1
分子名称: Thyroid hormone receptor beta, {4-[4-hydroxy-3-(1-methylethyl)benzyl]-3,5-dimethylphenoxy}acetic acid
著者Bleicher, L, Polikarpov, L, Aparicio, R.
登録日2009-08-11
公開日2009-09-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Structural basis of GC-1 selectivity for thyroid hormone receptor isoforms.
BMC STRUCT.BIOL., 8, 2008
2ZNO
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BU of 2zno by Molmil
Human PPAR gamma ligand binding domain in complex with a synthetic agonist TIPP703
分子名称: (2S)-2-(4-propoxy-3-{[({4-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]phenyl}carbonyl)amino]methyl}benzyl)butanoic acid, Peroxisome proliferator-activated receptor gamma
著者Oyama, T, Waku, T, Kasuga, J, Miyachi, H, Morikawa, K.
登録日2008-04-30
公開日2009-05-05
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Adaptability and selectivity of human peroxisome proliferator-activated receptor (PPAR) pan agonists revealed from crystal structures
Acta Crystallogr.,Sect.D, 65, 2009
4QMS
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BU of 4qms by Molmil
MST3 in complex with DASATINIB
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE, ...
著者Olesen, S.H, Watts, C, Zhu, J.-Y, Schonbrunn, E.
登録日2014-06-16
公開日2015-07-01
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.883 Å)
主引用文献Discovery of Diverse Small-Molecule Inhibitors of Mammalian Sterile20-like Kinase 3 (MST3).
Chemmedchem, 11, 2016
4QN0
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BU of 4qn0 by Molmil
Crystal structure of the CPS-6 mutant Q130K
分子名称: Endonuclease G, mitochondrial, MAGNESIUM ION
著者Lin, J.L.J, Yuan, H.S.
登録日2014-06-17
公開日2015-06-17
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.74 Å)
主引用文献Oxidative Stress Impairs Cell Death by Repressing the Nuclease Activity of Mitochondrial Endonuclease G
Cell Rep, 16, 2016
8DIQ
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Tubulin-RB3_SLD-TTL in complex with SB226
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-[2-(ethylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one, CALCIUM ION, ...
著者White, S.W, Yun, M.
登録日2022-06-29
公開日2023-01-18
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.395 Å)
主引用文献SB226, an inhibitor of tubulin polymerization, inhibits paclitaxel-resistant melanoma growth and spontaneous metastasis.
Cancer Lett., 555, 2022
1WMP
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Crystal structure of amine oxidase complexed with cobalt ion
分子名称: COBALT (II) ION, Phenylethylamine oxidase
著者Okajima, T, Kishishita, S, Chiu, Y.C, Murakawa, T, Kim, M, Yamaguchi, H, Hirota, S, Kuroda, S, Tanizawa, K.
登録日2004-07-13
公開日2005-08-02
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Reinvestigation of metal ion specificity for quinone cofactor biogenesis in bacterial copper amine oxidase
Biochemistry, 44, 2005
1WD8
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Calcium free form of human peptidylarginine deiminase type4 (PAD4)
分子名称: Protein-arginine deiminase type IV
著者Arita, K, Hashimoto, H, Shimizu, T, Nakashima, K, Yamada, M, Sato, M.
登録日2004-05-12
公開日2004-07-13
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural basis for Ca(2+)-induced activation of human PAD4
Nat.Struct.Mol.Biol., 11, 2004
4QO9
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MST3 IN COMPLEX WITH Danusertib
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Olesen, S.H, Watts, C, Zhu, J.-Y, Schonbrunn, E.
登録日2014-06-19
公開日2015-07-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery of Diverse Small-Molecule Inhibitors of Mammalian Sterile20-like Kinase 3 (MST3).
Chemmedchem, 11, 2016

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