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5IH8
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BU of 5ih8 by Molmil
MELK in complex with NVS-MELK1
分子名称: Maternal embryonic leucine zipper kinase, N-[(pyridin-2-yl)methyl]-4-[4-(pyridin-4-yl)-1H-pyrazol-1-yl]benzamide
著者Sprague, E.R, Puleo, D.E.
登録日2016-02-29
公開日2016-06-01
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Toward the Validation of Maternal Embryonic Leucine Zipper Kinase: Discovery, Optimization of Highly Potent and Selective Inhibitors, and Preliminary Biology Insight.
J.Med.Chem., 59, 2016
5IH9
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BU of 5ih9 by Molmil
MELK in complex with NVS-MELK8A
分子名称: 1-methyl-4-[4-(4-{3-[(piperidin-4-yl)methoxy]pyridin-4-yl}-1H-pyrazol-1-yl)phenyl]piperazine, Maternal embryonic leucine zipper kinase
著者Sprague, E.R, Puleo, D.E.
登録日2016-02-29
公開日2016-06-01
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Toward the Validation of Maternal Embryonic Leucine Zipper Kinase: Discovery, Optimization of Highly Potent and Selective Inhibitors, and Preliminary Biology Insight.
J.Med.Chem., 59, 2016
4QQG
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BU of 4qqg by Molmil
Crystal structure of an N-terminal HTATIP fragment
分子名称: Histone acetyltransferase KAT5, UNKNOWN ATOM OR ION
著者Liu, Y, Tempel, W, Wernimont, A.K, Dobrovetsky, E, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2014-06-27
公開日2014-07-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural and histone binding studies of the chromo barrel domain of TIP60.
FEBS Lett., 592, 2018
6UTK
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BU of 6utk by Molmil
Crystal structure of 438-B11 Fab in complex with an uncleaved prefusion optimized (UFO) soluble BG505 trimer and Fab 35O22 at 3.80 Angstrom
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Kumar, S, Wilson, I.A.
登録日2019-10-29
公開日2020-09-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.8 Å)
主引用文献A VH1-69 antibody lineage from an infected Chinese donor potently neutralizes HIV-1 by targeting the V3 glycan supersite
Sci Adv, 6, 2020
5EVM
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BU of 5evm by Molmil
Crystal Structure of Nipah Virus Fusion Glycoprotein in the Prefusion State
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fusion glycoprotein F0, MALONATE ION, ...
著者Xu, K, Nikolov, D.B.
登録日2015-11-20
公開日2015-12-16
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.367 Å)
主引用文献Crystal Structure of the Pre-fusion Nipah Virus Fusion Glycoprotein Reveals a Novel Hexamer-of-Trimers Assembly.
Plos Pathog., 11, 2015
3ISP
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BU of 3isp by Molmil
Crystal structure of ArgP from Mycobacterium tuberculosis
分子名称: HTH-type transcriptional regulator Rv1985c/MT2039
著者Zhou, X, Lou, Z, Sheng, F, Bartlam, M, Wang, H, Rao, Z.
登録日2009-08-27
公開日2010-02-16
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal Structure of ArgP from Mycobacterium tuberculosis Confirms Two Distinct Conformations of Full-length LysR Transcriptional Regulators and Reveals Its Function in DNA Binding and Transcriptional Regulation.
J.Mol.Biol., 2009
3BG8
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BU of 3bg8 by Molmil
Crystal structure of Factor XIa in complex with Clavatadine A
分子名称: BENZAMIDINE, Coagulation factor XIa light chain, N-(4-carbamimidamidobutyl)ethanamide, ...
著者Xue, Y, Oster, L.
登録日2007-11-26
公開日2008-12-09
最終更新日2021-10-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Clavatadine A, a natural product with selective recognition and irreversible inhibition of factor XIa.
J.Med.Chem., 51, 2008
8HN6
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BU of 8hn6 by Molmil
Crystal structure of monoclonal antibody complexed with SARS-CoV-2 RBD
分子名称: Heavy chain of monoclonal antibody 3G10, Light chain of monoclonal antibody 3G10, Spike protein S1
著者Qi, J, Chen, Y.
登録日2022-12-07
公開日2023-05-17
最終更新日2023-06-07
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Characterization of RBD-specific cross-neutralizing antibodies responses against SARS-CoV-2 variants from COVID-19 convalescents.
Front Immunol, 14, 2023
8HN7
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BU of 8hn7 by Molmil
Crystal structure of monoclonal antibody complexed with SARS-CoV-2 RBD
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of monoclonal antibody 3C11, Light chain of monoclonal antibody 3C11, ...
著者Qi, J, Chen, Y.
登録日2022-12-07
公開日2023-05-17
最終更新日2023-06-07
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Characterization of RBD-specific cross-neutralizing antibodies responses against SARS-CoV-2 variants from COVID-19 convalescents.
Front Immunol, 14, 2023
4RGY
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BU of 4rgy by Molmil
Structural and functional analysis of a low-temperature-active alkaline esterase from South China Sea marine sediment microbial metagenomic library
分子名称: Esterase
著者Liu, Y.
登録日2014-10-01
公開日2015-09-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural and functional analysis of a low-temperature-active alkaline esterase from South China Sea marine sediment microbial metagenomic library.
J Ind Microbiol Biotechnol, 42, 2015
8GPK
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BU of 8gpk by Molmil
Crystal structure of human anti-HIV-1 broadly neutralizing antibody F6 Fab
分子名称: F6 Fab heavy Chain, F6 Fab light chain
著者Niu, J, Yang, B.
登録日2022-08-26
公開日2023-08-09
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3.34 Å)
主引用文献Structures and immune recognition of Env trimers from two Asia prevalent HIV-1 CRFs.
Nat Commun, 14, 2023
8GPI
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BU of 8gpi by Molmil
HIV-1 Env X18 UFO in complex with 8ANC195 Fab
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, 8ANC195 Fab heavy chain, ...
著者Niu, J, Xu, Y.W, Yang, B.
登録日2022-08-26
公開日2023-08-09
最終更新日2023-08-30
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structures and immune recognition of Env trimers from two Asia prevalent HIV-1 CRFs.
Nat Commun, 14, 2023
8GPG
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BU of 8gpg by Molmil
HIV-1 Env X18 UFO in complex with F6 Fab
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, F6 Fab heavy chain, ...
著者Niu, J, Xu, Y.W, Yang, B.
登録日2022-08-26
公開日2023-08-09
最終更新日2023-08-30
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Structures and immune recognition of Env trimers from two Asia prevalent HIV-1 CRFs.
Nat Commun, 14, 2023
8GP5
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BU of 8gp5 by Molmil
Structure of X18 UFO protomer in complex with F6 Fab VHVL domain
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, F6 Fab VH domain, ...
著者Niu, J, Xu, Y.W, Yang, B.
登録日2022-08-25
公開日2023-08-09
最終更新日2023-08-30
実験手法ELECTRON MICROSCOPY (4.05 Å)
主引用文献Structures and immune recognition of Env trimers from two Asia prevalent HIV-1 CRFs.
Nat Commun, 14, 2023
8GPJ
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BU of 8gpj by Molmil
HIV-1 Env X16 UFO in complex with 8ANC195 Fab
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, 8ANC195 Fab heavy chain, ...
著者Niu, J, Xu, Y.W, Yang, B.
登録日2022-08-26
公開日2023-08-09
最終更新日2023-08-30
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structures and immune recognition of Env trimers from two Asia prevalent HIV-1 CRFs.
Nat Commun, 14, 2023
5ZOI
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BU of 5zoi by Molmil
Crystal Structure of alpha1,3-Fucosyltransferase
分子名称: Alpha-(1,3)-fucosyltransferase FucT, [[(2S,3R,4S,5R)-5-(2-azanyl-6-oxidanylidene-1H-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2S,3S,4S,5R,6R)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl] hydrogen phosphate
著者Tan, Y, Yang, G.
登録日2018-04-13
公開日2019-06-26
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (3.19 Å)
主引用文献Directed evolution of an alpha 1,3-fucosyltransferase using a single-cell ultrahigh-throughput screening method.
Sci Adv, 5, 2019
8Y6U
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BU of 8y6u by Molmil
Cryo-EM structure of E.coli transcription initiation complex with transcription factor GcvA
分子名称: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
著者Lin, W, Shi, J.
登録日2024-02-03
公開日2024-06-05
実験手法ELECTRON MICROSCOPY (3.97 Å)
主引用文献NMR analysis of a loop-bulge structure of UUCGA pentaloop.
Biochem.Biophys.Res.Commun., 691, 2024
4Y5H
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BU of 4y5h by Molmil
Pyridopyrimidinone Derivatives as Potent and Selective c-Jun N-Terminal Kinase (JNK) inhibitors
分子名称: 1-(trans-4-{[7-oxo-8-(propan-2-yl)-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl]amino}cyclohexyl)-3-propan-2-ylurea, Mitogen-activated protein kinase 10
著者Park, H.
登録日2015-02-11
公開日2015-05-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.055 Å)
主引用文献Pyridopyrimidinone Derivatives as Potent and Selective c-Jun N-Terminal Kinase (JNK) Inhibitors.
Acs Med.Chem.Lett., 6, 2015
4Y46
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BU of 4y46 by Molmil
Pyridopyrimidinone Derivatives as Potent and Selective c-Jun N-Terminal Kinase (JNK) inhibitors
分子名称: 1-{trans-4-[(8-cyclopentyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl}-3-propan-2-ylurea, Mitogen-activated protein kinase 10
著者Park, H.
登録日2015-02-10
公開日2015-05-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Pyridopyrimidinone Derivatives as Potent and Selective c-Jun N-Terminal Kinase (JNK) Inhibitors.
Acs Med.Chem.Lett., 6, 2015
4OIP
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BU of 4oip by Molmil
Crystal structure of Thermus thermophilus transcription initiation complex soaked with GE23077, ATP, and CMPcPP
分子名称: (2Z)-2-methylbut-2-enoic acid, 5'-D(*CP*CP*TP*GP*CP*AP*TP*CP*CP*GP*TP*GP*AP*GP*TP*CP*GP*AP*GP*GP*G)-3', 5'-D(*TP*AP*TP*AP*AP*TP*GP*GP*GP*AP*GP*CP*TP*GP*TP*CP*AP*CP*GP*GP*AP*TP*GP*CP*AP*GP*G)-3', ...
著者Zhang, Y, Ebright, R.H, Arnold, E.
登録日2014-01-20
公開日2014-05-07
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献GE23077 binds to the RNA polymerase 'i' and 'i+1' sites and prevents the binding of initiating nucleotides.
Elife, 3, 2014
4G34
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BU of 4g34 by Molmil
Crystal Structure of GSK6924 Bound to PERK (R587-R1092, delete A660-T867) at 2.70 A Resolution
分子名称: 1-[5-(4-aminothieno[3,2-c]pyridin-3-yl)-2,3-dihydro-1H-indol-1-yl]-2-phenylethanone, Eukaryotic translation initiation factor 2-alpha kinase 3
著者Gampe, R.T, Axten, J.M.
登録日2012-07-13
公開日2012-08-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Discovery of 7-Methyl-5-(1-{[3-(trifluoromethyl)phenyl]acetyl}-2,3-dihydro-1H-indol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (GSK2606414), a Potent and Selective First-in-Class Inhibitor of Protein Kinase R (PKR)-like Endoplasmic Reticulum Kinase (PERK).
J.Med.Chem., 55, 2012
4G31
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BU of 4g31 by Molmil
Crystal Structure of GSK6414 Bound to PERK (R587-R1092, delete A660-T867) at 2.28 A Resolution
分子名称: 1-[5-(4-amino-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydro-1H-indol-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone, Eukaryotic translation initiation factor 2-alpha kinase 3, GLYCEROL
著者Gampe, R.T, Axten, J.M.
登録日2012-07-13
公開日2012-08-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Discovery of 7-Methyl-5-(1-{[3-(trifluoromethyl)phenyl]acetyl}-2,3-dihydro-1H-indol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (GSK2606414), a Potent and Selective First-in-Class Inhibitor of Protein Kinase R (PKR)-like Endoplasmic Reticulum Kinase (PERK).
J.Med.Chem., 55, 2012
4OIQ
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BU of 4oiq by Molmil
Crystal structure of Thermus thermophilus transcription initiation complex soaked with GE23077 and rifampicin
分子名称: (2Z)-2-methylbut-2-enoic acid, 5'-D(*CP*CP*T*GP*CP*AP*TP*CP*CP*GP*TP*GP*AP*GP*TP*CP*GP*AP*GP*GP*G)-3', 5'-D(*TP*AP*TP*AP*AP*TP*GP*GP*GP*AP*GP*CP*TP*GP*TP*CP*AP*CP*GP*GP*AP*TP*GP*CP*AP*GP*G)-3', ...
著者Zhang, Y, Ebright, R.H, Arnold, E.
登録日2014-01-20
公開日2014-05-07
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.624 Å)
主引用文献GE23077 binds to the RNA polymerase 'i' and 'i+1' sites and prevents the binding of initiating nucleotides.
Elife, 3, 2014
4OIO
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BU of 4oio by Molmil
Crystal structure of Thermus thermophilus pre-insertion substrate complex for de novo transcription initiation
分子名称: 5'-D(*CP*CP*TP*GP*CP*AP*TP*CP*CP*GP*TP*GP*AP*GP*TP*CP*GP*AP*GP*GP*G)-3', 5'-D(*TP*AP*TP*AP*AP*TP*GP*GP*GP*AP*GP*CP*TP*GP*TP*CP*AP*CP*GP*GP*AP*TP*GP*CP*AP*GP*G)-3', 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]cytidine, ...
著者Zhang, Y, Ebright, R.H, Arnold, E.
登録日2014-01-20
公開日2014-05-07
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献GE23077 binds to the RNA polymerase 'i' and 'i+1' sites and prevents the binding of initiating nucleotides.
Elife, 3, 2014
4FWI
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BU of 4fwi by Molmil
Crystal structure of the nucleotide-binding domain of a dipeptide ABC transporter
分子名称: ABC-type dipeptide/oligopeptide/nickel transport system, ATPase component, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Li, X, Ge, J, Yang, M, Wang, N.
登録日2012-07-01
公開日2013-01-30
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.892 Å)
主引用文献Structure of the nucleotide-binding domain of a dipeptide ABC transporter reveals a novel iron-sulfur cluster-binding domain
Acta Crystallogr.,Sect.D, 69, 2013

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