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4JKK
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BU of 4jkk by Molmil
Crystal Structure of Streptococcus agalactiae beta-glucuronidase in space group I222
分子名称: Beta-glucuronidase, MAGNESIUM ION
著者Wallace, B.D, Redinbo, M.R.
登録日2013-03-09
公開日2014-09-17
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Structure and Inhibition of Microbiome beta-Glucuronidases Essential to the Alleviation of Cancer Drug Toxicity.
Chem.Biol., 22, 2015
4KHT
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BU of 4kht by Molmil
Triple helix bundle of GP41 complexed with fab 8066
分子名称: 8066 heavy chain, 8066 light chain, Gp41 helix
著者Li, M, Gustchina, A, Wlodawer, A.
登録日2013-05-01
公開日2014-03-12
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (2.817 Å)
主引用文献Complexes of neutralizing and non-neutralizing affinity matured Fabs with a mimetic of the internal trimeric coiled-coil of HIV-1 gp41.
Plos One, 8, 2013
4H81
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BU of 4h81 by Molmil
Crystal structure of branched-chain alpha-ketoacid dehydrogenase kinase/(R)-2-chloro-3-phenylpropanoic acid complex with ADP
分子名称: (2R)-2-chloro-3-phenylpropanoic acid, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Tso, S.C, Chuang, J.L, Gui, W.J, Wynn, R.M, Li, J, Chuang, D.T.
登録日2012-09-21
公開日2013-06-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structure-based design and mechanisms of allosteric inhibitors for mitochondrial branched-chain alpha-ketoacid dehydrogenase kinase.
Proc.Natl.Acad.Sci.USA, 110, 2013
4HEF
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BU of 4hef by Molmil
Structure of avibactam bound to Pseudomonas aeruginosa AmpC
分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase, GLYCEROL
著者Lahiri, S.D.
登録日2012-10-03
公開日2013-06-05
最終更新日2020-09-16
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Structural Insight into Potent Broad-Spectrum Inhibition with Reversible Recyclization Mechanism: Avibactam in Complex with CTX-M-15 and Pseudomonas aeruginosa AmpC beta-Lactamases
Antimicrob.Agents Chemother., 57, 2013
1J95
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BU of 1j95 by Molmil
KCSA potassium channel with TBA (tetrabutylammonium) and potassium
分子名称: POTASSIUM ION, TETRABUTYLAMMONIUM ION, VOLTAGE-GATED POTASSIUM CHANNEL
著者Morais-Cabral, J.H, MacKinnon, R, Zhou, M.
登録日2001-05-23
公開日2001-06-13
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Potassium channel receptor site for the inactivation gate and quaternary amine inhibitors
Nature, 411, 2001
4J3K
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BU of 4j3k by Molmil
Structure of the N-terminal domian of human coronavirus OC43 nucleocapsid protein
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Nucleoprotein
著者Chen, I.J, Lin, S.Y, Hou, M.H.
登録日2013-02-05
公開日2013-05-08
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure-based exploration of the important role of Arg106 in the RNA-binding domain of human coronavirus OC43 nucleocapsid protein
Biochim.Biophys.Acta, 1834, 2013
4KHX
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BU of 4khx by Molmil
Crystal structure of gp41 helix complexed with antibody 8062
分子名称: 8062 heavy chain, 8062 light chain, gp41 helix
著者Li, M, Gustchina, A, Wlodawer, A.
登録日2013-05-01
公開日2014-03-12
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (2.921 Å)
主引用文献Complexes of neutralizing and non-neutralizing affinity matured Fabs with a mimetic of the internal trimeric coiled-coil of HIV-1 gp41.
Plos One, 8, 2013
3HDN
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BU of 3hdn by Molmil
Crystal structure of serum and glucocorticoid-regulated kinase 1 in complex with compound 2
分子名称: Serine/threonine-protein kinase Sgk1, [4-(5-naphthalen-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]acetic acid
著者Zhao, B, Hammond, M.
登録日2009-05-07
公開日2009-06-30
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Design and synthesis of orally bioavailable serum and glucocorticoid-regulated kinase 1 (SGK1) inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
3HDM
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BU of 3hdm by Molmil
Crystal structure of serum and glucocorticoid-regulated kinase 1 in complex with compound 1
分子名称: 4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid, Serine/threonine-protein kinase Sgk1
著者Zhao, B, Hammond, M.
登録日2009-05-07
公開日2009-06-30
最終更新日2021-10-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Design and synthesis of orally bioavailable serum and glucocorticoid-regulated kinase 1 (SGK1) inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
6ALC
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BU of 6alc by Molmil
CREBBP bromodomain in complex with Cpd 4 (1-(1-(cyclopropylmethyl)-3-(1H-indol-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)ethan-1-one)
分子名称: 1,2-ETHANEDIOL, 1-[1-(cyclopropylmethyl)-3-(1H-indol-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]ethan-1-one, CREB-binding protein, ...
著者Murray, J.M.
登録日2017-08-07
公開日2018-08-08
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.391 Å)
主引用文献Design and synthesis of a biaryl series as inhibitors for the bromodomains of CBP/P300.
Bioorg. Med. Chem. Lett., 28, 2018
6AY5
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BU of 6ay5 by Molmil
CREBBP bromodomain in complex with Cpd17 (5-(7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl)-3-methylbenzo[d]thiazol-2(3H)-one)
分子名称: 5-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-3-methyl-1,3-benzothiazol-2(3H)-one, CREB-binding protein, DIMETHYL SULFOXIDE, ...
著者Murray, J.M.
登録日2017-09-07
公開日2018-02-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献A Unique Approach to Design Potent and Selective Cyclic Adenosine Monophosphate Response Element Binding Protein, Binding Protein (CBP) Inhibitors.
J. Med. Chem., 60, 2017
8G6G
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BU of 8g6g by Molmil
H2BK120ub+H3K79me2-modified nucleosome ubiquitin position 5
分子名称: 601 DNA (185-MER), Histone H2A, Histone H2B 1.1, ...
著者Hicks, C.W, Wolberger, C.
登録日2023-02-15
公開日2024-02-21
実験手法ELECTRON MICROSCOPY (2.93 Å)
主引用文献Ubiquitinated H2B as gatekeeper of the nucleosome acidic patch
To Be Published
8G6Q
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BU of 8g6q by Molmil
H2AK119ub-modified nucleosome ubiquitin position 1
分子名称: 601 DNA (145-MER), Histone H2A, Histone H2B 1.1, ...
著者Hicks, C.W, Wolberger, C.
登録日2023-02-15
公開日2024-02-21
実験手法ELECTRON MICROSCOPY (3.41 Å)
主引用文献Ubiquitinated H2B as gatekeeper of the nucleosome acidic patch
To Be Published
8G6S
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BU of 8g6s by Molmil
H2AK119ub-modified nucleosome ubiquitin position 2
分子名称: 601 DNA (145-MER), Histone H2A, Histone H2B 1.1, ...
著者Hicks, C.W, Wolberger, C.
登録日2023-02-15
公開日2024-02-21
実験手法ELECTRON MICROSCOPY (3.47 Å)
主引用文献Ubiquitinated H2B as gatekeeper of the nucleosome acidic patch
To Be Published
8G7B
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BU of 8g7b by Molmil
SARS-CoV-2 spike/Nb3 complex with 1 RBD up and 2 Nb3 (local refinement)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Nanosota-3, Spike glycoprotein
著者Ye, G, Bu, F, Liu, B, Li, F.
登録日2023-02-16
公開日2024-02-21
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献SARS-CoV-2 spike/Nb3 complex with 1 RBD up and 2 Nb3
To Be Published
8G76
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BU of 8g76 by Molmil
SARS-CoV-2 spike/Nb5 complex
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, Nanosota-5, ...
著者Ye, G, Bu, F, Liu, B, Li, F.
登録日2023-02-16
公開日2024-02-21
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献SARS-CoV-2 spike/Nb5 complex
To Be Published
8G77
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BU of 8g77 by Molmil
SARS-CoV-2 spike/Nb6 complex
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, Nanosota-6, ...
著者Ye, G, Bu, F, Liu, B, Li, F.
登録日2023-02-16
公開日2024-02-21
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献SARS-CoV-2 spike/Nb6 complex
To Be Published
8G7A
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BU of 8g7a by Molmil
SARS-CoV-2 spike/Nb3 complex with 2 RBDs up and 3 Nb3 (local refinement)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Nanosota-3, Spike glycoprotein
著者Ye, G, Bu, F, Liu, B, Li, F.
登録日2023-02-16
公開日2024-02-21
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献SARS-CoV-2 spike/Nb3 complex with 2 RBDs up and 3 Nb3 (local refinement)
To Be Published
8G7C
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BU of 8g7c by Molmil
local refinement of SARS-CoV-2 spike/Nb4 complex with 2 RBDs up and 3 Nb4 bound
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Nanosota-4, Spike glycoprotein
著者Ye, G, Bu, F, Liu, B, Li, F.
登録日2023-02-16
公開日2024-02-21
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献local refinement of SARS-CoV-2 spike/Nb4 complex with 2 RBDs up and 3 Nb4 bound
To Be Published
8G70
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BU of 8g70 by Molmil
SARS-CoV-2 spike/nanobody mixture complex
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, Nanosota-3, ...
著者Ye, G, Bu, F, Liu, B, Li, F.
登録日2023-02-16
公開日2024-02-21
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献SARS-CoV-2 spike/nanobody mixture complex
To Be Published
8G78
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BU of 8g78 by Molmil
Local refinement of SARS-CoV-2 spike/nanobody mixture complex around NTD
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Nanosota-5, Nanosota-6, ...
著者Ye, G, Bu, F, Liu, B, Li, F.
登録日2023-02-16
公開日2024-02-21
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Local refinement of SARS-CoV-2 spike/nanobody mixture complex around NTD
To Be Published
6AY3
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BU of 6ay3 by Molmil
CREBBP bromodomain in complex with Cpd16 (5-(7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl)-N-methyl-1H-indole-3-carboxamide)
分子名称: 1,2-ETHANEDIOL, 5-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1H-indole-3-carboxamide, CREB-binding protein, ...
著者Murray, J.M.
登録日2017-09-07
公開日2018-02-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.391 Å)
主引用文献A Unique Approach to Design Potent and Selective Cyclic Adenosine Monophosphate Response Element Binding Protein, Binding Protein (CBP) Inhibitors.
J. Med. Chem., 60, 2017
4C59
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BU of 4c59 by Molmil
Structure of GAK kinase in complex with nanobody (NbGAK_4)
分子名称: (2Z,3E)-2,3'-BIINDOLE-2',3(1H,1'H)-DIONE 3-{O-[(3R)-3,4-DIHYDROXYBUTYL]OXIME}, Cyclin-G-associated kinase, NANOBODY
著者Chaikuad, A, Keates, T, Allerston, C.K, Gileadi, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Muller-Knapp, S.
登録日2013-09-10
公開日2013-10-09
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure of cyclin G-associated kinase (GAK) trapped in different conformations using nanobodies.
Biochem. J., 459, 2014
8GA8
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BU of 8ga8 by Molmil
Structure of the yeast (HDAC) Rpd3L complex
分子名称: Histone deacetylase RPD3, Transcriptional regulatory protein DEP1, Transcriptional regulatory protein PHO23, ...
著者Patel, A.B, Radhakrishnan, I, He, Y.
登録日2023-02-22
公開日2023-07-12
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Cryo-EM structure of the Saccharomyces cerevisiae Rpd3L histone deacetylase complex.
Nat Commun, 14, 2023
7WHU
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BU of 7whu by Molmil
Human Neutrophil Elastase in-complex with Ecotin Peptide
分子名称: 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, Ecotin Peptide, ...
著者Shankar, S, Jayaraman, S.
登録日2021-12-31
公開日2022-07-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献Sequence preference and scaffolding requirement for the inhibition of human neutrophil elastase by ecotin peptide
Protein Sci., 31, 2022

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