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6CAA
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BU of 6caa by Molmil
CryoEM structure of human SLC4A4 sodium-coupled acid-base transporter NBCe1
分子名称: Electrogenic sodium bicarbonate cotransporter 1
著者Huynh, K.W, Jiang, J, Abuladze, N, Tsirulnikov, K, Kao, L, Shao, X, Newman, D, Azimov, R, Pushkin, A, Zhou, Z.H, Kurtz, I.
登録日2018-01-29
公開日2018-03-07
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献CryoEM structure of the human SLC4A4 sodium-coupled acid-base transporter NBCe1.
Nat Commun, 9, 2018
5VIL
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BU of 5vil by Molmil
Crystal structure of ASK1 kinase domain with a potent inhibitor (analog 6)
分子名称: 2-methoxy-N-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}-5-sulfamoylbenzamide, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase kinase kinase 5
著者Jasti, J, Chang, J, Kurumbail, R.
登録日2017-04-17
公開日2018-01-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献Rational approach to highly potent and selective apoptosis signal-regulating kinase 1 (ASK1) inhibitors.
Eur J Med Chem, 145, 2017
4BUL
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BU of 4bul by Molmil
Novel hydroxyl tricyclics (e.g. GSK966587) as potent inhibitors of bacterial type IIA topoisomerases
分子名称: (S)-4-((4-(((2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)methyl)amino)piperidin-1-yl)methyl)-3-fluoro-4-hydroxy-4H-pyrrolo[3,2,1-de][1,5]naphthyridin-7(5H)-one, 5'-D(*AP*GP*CP*CP*GP*TP*AP*GP*GP*TP*AP*CP*AP*CP *CP*GP*CP*AP*C)-3', 5'-D(*TP*GP*TP*GP*CP*GP*GP*TP*GP*TP*AP*CP*CP*TP *AP*CP*GP*GP*CP*T)-3', ...
著者Miles, T.J, Hennessy, A.J, Bax, B, Brooks, G, Brown, B.S, Brown, P, Cailleau, N, Chen, D, Dabbs, S, Davies, D.T, Esken, J.M, Giordano, I, Hoover, J.L, Huang, J, Jones, G.E, Sukmar, S.K.K, Spitzfaden, C, Markwell, R.E, Minthorn, E.A, Rittenhouse, S, Gwynn, M.N, Pearson, N.D.
登録日2013-06-20
公開日2013-08-07
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Novel Hydroxyl Tricyclics (E.G., Gsk966587) as Potent Inhibitors of Bacterial Type Iia Topoisomerases.
Bioorg.Med.Chem.Lett., 23, 2013
3MP6
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BU of 3mp6 by Molmil
Complex Structure of Sgf29 and dimethylated H3K4
分子名称: H3K4me2 peptide, Maltose-binding periplasmic protein,LINKER,SAGA-associated factor 29, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
著者Li, J, Wu, M, Ruan, J, Zang, J.
登録日2010-04-25
公開日2011-05-04
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Sgf29 binds histone H3K4me2/3 and is required for SAGA complex recruitment and histone H3 acetylation
Embo J., 30, 2011
3VBO
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BU of 3vbo by Molmil
Crystal structure of formaldehyde treated empty human Enterovirus 71 particle (cryo at 100K)
分子名称: Genome Polyprotein, capsid protein VP1, capsid protein VP2, ...
著者Wang, X, Peng, W, Ren, J, Hu, Z, Xu, J, Lou, Z, Li, X, Yin, W, Shen, X, Porta, C, Walter, T.S, Evans, G, Axford, D, Owen, R, Rowlands, D.J, Wang, J, Stuart, D.I, Fry, E.E, Rao, Z.
登録日2012-01-02
公開日2012-02-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.88 Å)
主引用文献A sensor-adaptor mechanism for enterovirus uncoating from structures of EV71.
Nat.Struct.Mol.Biol., 19, 2012
3VBF
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BU of 3vbf by Molmil
Crystal structure of formaldehyde treated human Enterovirus 71 (space group I23)
分子名称: ADENOSINE MONOPHOSPHATE, CHLORIDE ION, Genome Polyprotein, ...
著者Wang, X, Peng, W, Ren, J, Hu, Z, Xu, J, Lou, Z, Li, X, Yin, W, Shen, X, Porta, C, Walter, T.S, Evans, G, Axford, D, Owen, R, Rowlands, D.J, Wang, J, Stuart, D.I, Fry, E.E, Rao, Z.
登録日2012-01-02
公開日2012-02-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献A sensor-adaptor mechanism for enterovirus uncoating from structures of EV71.
Nat.Struct.Mol.Biol., 19, 2012
3MP8
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BU of 3mp8 by Molmil
Crystal structure of Sgf29 tudor domain
分子名称: 4-(HYDROXYMETHYL)BENZAMIDINE, ACETIC ACID, GLYCEROL, ...
著者Li, J, Wu, M, Ruan, J, Zang, J.
登録日2010-04-26
公開日2011-05-04
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Sgf29 binds histone H3K4me2/3 and is required for SAGA complex recruitment and histone H3 acetylation
Embo J., 30, 2011
5IRI
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BU of 5iri by Molmil
Structure of the mouse SAD-B AIS-KA1 fragment
分子名称: Serine/threonine-protein kinase BRSK1
著者Ma, H, Wu, J.X, Wang, J, Wu, J.W.
登録日2016-03-13
公開日2016-06-15
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure and inhibition analysis of the mouse SAD-B C-terminal fragment
Biosci.Biotechnol.Biochem., 2016
4L19
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BU of 4l19 by Molmil
Matrix metalloproteinase-13 complexed with selective inhibitor compound Q1
分子名称: 2-[(4-methylbenzyl)sulfanyl]-3,5,6,7-tetrahydro-4H-cyclopenta[d]pyrimidin-4-one, CALCIUM ION, Collagenase 3, ...
著者Minond, D, Spicer, T.P, Jiang, J, Taylor, A.B, Hart, P.J, Roush, W.R, Fields, G.B, Hodder, P.S.
登録日2013-06-02
公開日2014-12-10
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Characterization of selective exosite-binding inhibitors of matrix metalloproteinase 13 that prevent articular cartilage degradation in vitro.
J.Med.Chem., 57, 2014
3PE4
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BU of 3pe4 by Molmil
Structure of human O-GlcNAc transferase and its complex with a peptide substrate
分子名称: Casein kinase II subunit alpha, SULFATE ION, UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit, ...
著者Lazarus, M.B, Nam, Y, Jiang, J, Sliz, P, Walker, S.
登録日2010-10-25
公開日2011-01-19
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structure of human O-GlcNAc transferase and its complex with a peptide substrate.
Nature, 469, 2011
3PE3
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BU of 3pe3 by Molmil
Structure of human O-GlcNAc transferase and its complex with a peptide substrate
分子名称: UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit, URIDINE-5'-DIPHOSPHATE
著者Lazarus, M.B, Nam, Y, Jiang, J, Sliz, P, Walker, S.
登録日2010-10-25
公開日2011-01-19
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献Structure of human O-GlcNAc transferase and its complex with a peptide substrate.
Nature, 469, 2011
4AYX
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BU of 4ayx by Molmil
STRUCTURE OF THE HUMAN MITOCHONDRIAL ABC TRANSPORTER, ABCB10 (ROD FORM B)
分子名称: ATP-BINDING CASSETTE SUB-FAMILY B MEMBER 10, CARDIOLIPIN, DODECYL-BETA-D-MALTOSIDE, ...
著者Pike, A.C.W, Shintre, C.A, Li, Q, Kim, J, von Delft, F, Barr, A.J, Das, S, Chaikuad, A, Xia, X, Quigley, A, Dong, Y, Dong, L, Krojer, T, Vollmar, M, Muniz, J.R.C, Bray, J.E, Berridge, G, Chalk, R, Gileadi, O, Burgess-Brown, N, Shrestha, L, Goubin, S, Yang, J, Mahajan, P, Mukhopadhyay, S, Bullock, A.N, Arrowsmith, C.H, Weigelt, J, Bountra, C, Edwards, A.M, Carpenter, E.P.
登録日2012-06-22
公開日2012-07-11
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structures of Abcb10, a Human ATP-Binding Cassette Transporter in Apo- and Nucleotide-Bound States
Proc.Natl.Acad.Sci.USA, 110, 2013
5DWD
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BU of 5dwd by Molmil
Crystal structure of esterase PE8
分子名称: 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, Esterase, GLYCEROL
著者Li, J, Huang, J.
登録日2015-09-22
公開日2016-10-26
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Structure of esterase PE8
To Be Published
3UWK
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BU of 3uwk by Molmil
Structure Guided Development of Novel Thymidine Mimetics targeting Pseudomonas aeruginosa Thymidylate Kinase: from Hit to Lead Generation
分子名称: 1-methyl-6-phenyl-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one, MAGNESIUM ION, Thymidylate kinase
著者Choi, J.Y, Plummer, M.S, Starr, J, Desbonnet, C.R, Soutter, H.H, Chang, J, Miller, J.R, Dillman, K, Miller, A.A, Roush, W.R.
登録日2011-12-02
公開日2012-02-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Structure guided development of novel thymidine mimetics targeting Pseudomonas aeruginosa thymidylate kinase: from hit to lead generation.
J.Med.Chem., 55, 2012
3VBH
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BU of 3vbh by Molmil
Crystal structure of formaldehyde treated human enterovirus 71 (space group R32)
分子名称: CHLORIDE ION, Genome Polyprotein, capsid protein VP1, ...
著者Wang, X, Peng, W, Ren, J, Hu, Z, Xu, J, Lou, Z, Li, X, Yin, W, Shen, X, Porta, C, Walter, T.S, Evans, G, Axford, D, Owen, R, Rowlands, D.J, Wang, J, Stuart, D.I, Fry, E.E, Rao, Z.
登録日2012-01-02
公開日2012-02-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A sensor-adaptor mechanism for enterovirus uncoating from structures of EV71.
Nat.Struct.Mol.Biol., 19, 2012
3QNN
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BU of 3qnn by Molmil
RB69 DNA Polymerase (Y567A) Ternary Complex with dGT Opposite 3tCo
分子名称: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA Primer, ...
著者Xia, S, Wang, M, Wang, J, Konigsberg, W.H.
登録日2011-02-08
公開日2012-02-08
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Using a Fluorescent Cytosine Analogue tC(o) To Probe the Effect of the Y567 to Ala Substitution on the Preinsertion Steps of dNMP Incorporation by RB69 DNA Polymerase.
Biochemistry, 51, 2012
2ATP
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BU of 2atp by Molmil
Crystal structure of a CD8ab heterodimer
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, T-cell surface glycoprotein CD8 alpha chain, T-cell surface glycoprotein CD8 beta chain, ...
著者Chang, H.C, Tan, K, Ouyang, J, Parisini, E, Liu, J.H, Le, Y, Wang, X, Reinherz, E.L, Wang, J.H.
登録日2005-08-25
公開日2005-12-27
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural and Mutational Analyses of a CD8alphabeta Heterodimer and Comparison with the CD8alphaalpha Homodimer.
Immunity, 23, 2005
3J1T
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BU of 3j1t by Molmil
High affinity dynein microtubule binding domain - tubulin complex
分子名称: Cytoplasmic dynein 1 heavy chain 1, seryl t-RNA synthetase chimera, Tubulin alpha-1B chain, ...
著者Redwine, W.B, Hernandez-Lopez, R, Zou, S, Huang, J, Reck-Peterson, S.L, Leschziner, A.E.
登録日2012-06-25
公開日2012-09-26
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (9.7 Å)
主引用文献Structural basis for microtubule binding and release by dynein.
Science, 337, 2012
4E9A
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BU of 4e9a by Molmil
Structure of Peptide Deformylase form Helicobacter Pylori in complex with inhibitor
分子名称: 2-phenylethyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, COBALT (II) ION, ...
著者Cui, K, Zhu, L, Lu, W, Huang, J.
登録日2012-03-20
公開日2013-04-24
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.662 Å)
主引用文献Identification of Novel Peptide Deformylase Inhibitors from Natural Products
To be Published
6K7V
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BU of 6k7v by Molmil
Structure of NLRP1 CARD filament
分子名称: NACHT, LRR and PYD domains-containing protein 1
著者Gong, Q, Xu, C, Zhang, J, Wu, B.
登録日2019-06-09
公開日2020-09-16
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Structural basis for distinct inflammasome complex assembly by human NLRP1 and CARD8.
Nat Commun, 12, 2021
3KXT
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BU of 3kxt by Molmil
Crystal structure of Sulfolobus Cren7-dsDNA complex
分子名称: 5'-D(*GP*CP*GP*AP*TP*CP*GP*C)-3', Chromatin protein Cren7
著者Feng, Y, Wang, J.
登録日2009-12-03
公開日2010-06-09
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.602 Å)
主引用文献Crystal structure of the crenarchaeal conserved chromatin protein Cren7 and double-stranded DNA complex
Protein Sci., 19, 2010
5IYA
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BU of 5iya by Molmil
Human core-PIC in the closed state
分子名称: DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB10, DNA-directed RNA polymerase II subunit RPB11-a, ...
著者He, Y, Yan, C, Fang, J, Inouye, C, Tjian, R, Ivanov, I, Nogales, E.
登録日2016-03-24
公開日2016-05-18
最終更新日2019-11-20
実験手法ELECTRON MICROSCOPY (5.4 Å)
主引用文献Near-atomic resolution visualization of human transcription promoter opening.
Nature, 533, 2016
6K99
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BU of 6k99 by Molmil
Structure of ASC CARD filament
分子名称: Apoptosis-associated speck-like protein containing a CARD
著者Gong, Q, Xu, C, Zhang, J, Boo, Z.Z, Wu, B.
登録日2019-06-14
公開日2020-09-16
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Structural basis for distinct inflammasome complex assembly by human NLRP1 and CARD8.
Nat Commun, 12, 2021
5IY8
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BU of 5iy8 by Molmil
Human holo-PIC in the initial transcribing state
分子名称: DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB10, DNA-directed RNA polymerase II subunit RPB11-a, ...
著者He, Y, Yan, C, Fang, J, Inouye, C, Tjian, R, Ivanov, I, Nogales, E.
登録日2016-03-24
公開日2016-05-18
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (7.9 Å)
主引用文献Near-atomic resolution visualization of human transcription promoter opening.
Nature, 533, 2016
5IY6
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BU of 5iy6 by Molmil
Human holo-PIC in the closed state
分子名称: DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB10, DNA-directed RNA polymerase II subunit RPB11-a, ...
著者He, Y, Yan, C, Fang, J, Inouye, C, Tjian, R, Ivanov, I, Nogales, E.
登録日2016-03-24
公開日2016-05-18
最終更新日2019-11-20
実験手法ELECTRON MICROSCOPY (7.2 Å)
主引用文献Near-atomic resolution visualization of human transcription promoter opening.
Nature, 533, 2016

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