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8R3D
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BU of 8r3d by Molmil
Crystal structure of Pent only at pH 8.8
分子名称: 2-acetamido-2-deoxy-alpha-D-glucopyranose, Beta propeller
著者Flood, R.J, Crowley, P.B.
登録日2023-11-08
公開日2024-03-06
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Multivalent Calixarene Complexation of a Designed Pentameric Lectin.
Biomacromolecules, 25, 2024
6VKF
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BU of 6vkf by Molmil
CCHFV GP38 (IbAr10200)
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, GP38
著者Mishra, A.K, McLellan, J.S.
登録日2020-01-20
公開日2020-02-05
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.524 Å)
主引用文献Structure and Characterization of Crimean-Congo Hemorrhagic Fever Virus GP38.
J.Virol., 94, 2020
8R3B
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BU of 8r3b by Molmil
Cocrystal form I of the Pent - sulfonato-calix[8]arene complex
分子名称: 2-acetamido-2-deoxy-alpha-D-glucopyranose, Beta propeller, sulfonato-calix[8]arene
著者Flood, R.J, Crowley, P.B.
登録日2023-11-08
公開日2024-03-06
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Multivalent Calixarene Complexation of a Designed Pentameric Lectin.
Biomacromolecules, 25, 2024
8R3C
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BU of 8r3c by Molmil
Cocrystal form II of the Pent - sulfonato-calix[8]arene complex
分子名称: 2-acetamido-2-deoxy-alpha-D-glucopyranose, Beta propeller, sulfonato-calix[8]arene
著者Flood, R.J, Crowley, P.B.
登録日2023-11-08
公開日2024-03-06
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Multivalent Calixarene Complexation of a Designed Pentameric Lectin.
Biomacromolecules, 25, 2024
4KSI
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BU of 4ksi by Molmil
Crystal Structure Analysis of the Acidic Leucine Aminopeptidase of Tomato
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, GLYCEROL, ...
著者DuPrez, K.T, Scranton, M, Walling, L, Fan, L.
登録日2013-05-17
公開日2013-06-12
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure of tomato wound-induced leucine aminopeptidase sheds light on substrate specificity.
Acta Crystallogr.,Sect.D, 70, 2014
1RTA
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BU of 1rta by Molmil
CRYSTAL STRUCTURE DISPOSITION OF THYMIDYLIC ACID TETRAMER IN COMPLEX WITH RIBONUCLEASE A
分子名称: DNA (5'-D(*TP*TP*TP*T)-3'), PROTEIN (RIBONUCLEASE A (E.C.3.1.27.5))
著者Birdsall, D.L, McPherson, A.
登録日1992-08-28
公開日1993-10-31
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure disposition of thymidylic acid tetramer in complex with ribonuclease A.
J.Biol.Chem., 267, 1992
7B9L
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BU of 7b9l by Molmil
MEK1 in complex with compound 23
分子名称: Dual specificity mitogen-activated protein kinase kinase 1,Dual specificity mitogen-activated protein kinase kinase 1, GLYCEROL, MAGNESIUM ION, ...
著者Kack, H, Oster, L.
登録日2020-12-14
公開日2021-03-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Fragment-Based Discovery of Novel Allosteric MEK1 Binders.
Acs Med.Chem.Lett., 12, 2021
7B94
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BU of 7b94 by Molmil
MEK1 in complex with compound 6
分子名称: 2-(4-iodophenyl)-8~{H}-imidazo[1,2-c]pyrimidin-5-one, Dual specificity mitogen-activated protein kinase kinase 1,Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ...
著者Kack, H, Oster, L.
登録日2020-12-14
公開日2021-03-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Fragment-Based Discovery of Novel Allosteric MEK1 Binders.
Acs Med.Chem.Lett., 12, 2021
4Y2A
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BU of 4y2a by Molmil
Crystal Structure of Coxsackie Virus B3 3D polymerase in complex with GPC-N114 inhibitor
分子名称: 2,2'-[(4-chlorobenzene-1,2-diyl)bis(oxy)]bis(5-nitrobenzonitrile), 3D polymerase, GLYCEROL, ...
著者Vives-Adrian, L, Ferrer-Orta, C, Verdaguer, N.
登録日2015-02-09
公開日2015-04-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献The RNA Template Channel of the RNA-Dependent RNA Polymerase as a Target for Development of Antiviral Therapy of Multiple Genera within a Virus Family.
Plos Pathog., 11, 2015
4Y34
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BU of 4y34 by Molmil
Crystal Structure of Coxsackievirus B3 3D polymerase in complex with GPC-N143
分子名称: 2,2'-[(4-fluorobenzene-1,2-diyl)bis(oxy)]bis(5-nitrobenzonitrile), 3D polymerase, GLYCEROL, ...
著者Vives-Adrian, L, Ferrer-Orta, C, Cerdaguer, N.
登録日2015-02-10
公開日2015-04-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The RNA Template Channel of the RNA-Dependent RNA Polymerase as a Target for Development of Antiviral Therapy of Multiple Genera within a Virus Family.
Plos Pathog., 11, 2015
4Y3C
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BU of 4y3c by Molmil
I304V 3D polymerase mutant of EMCV
分子名称: 3D polymerase, CHLORIDE ION, GLYCEROL
著者Verdaguer, N, Ferrer-Orta, C, Vives-Adrian, L.
登録日2015-02-10
公開日2015-04-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献The RNA Template Channel of the RNA-Dependent RNA Polymerase as a Target for Development of Antiviral Therapy of Multiple Genera within a Virus Family.
Plos Pathog., 11, 2015
4Y2C
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BU of 4y2c by Molmil
M300V 3D polymerase mutant of EMCV
分子名称: GLYCEROL, Genome polyprotein
著者Verdaguer, N, Ferrer-Orta, C, Vives-Adrian, L.
登録日2015-02-09
公開日2015-04-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The RNA Template Channel of the RNA-Dependent RNA Polymerase as a Target for Development of Antiviral Therapy of Multiple Genera within a Virus Family.
Plos Pathog., 11, 2015
8RSA
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BU of 8rsa by Molmil
CRYSTAL STRUCTURE OF TWO COVALENT NUCLEOSIDE DERIVATIVES OF RIBONUCLEASE A
分子名称: 3'-DEOXY-3'-ACETAMIDO-THYMIDINE, RIBONUCLEASE A
著者Nachman, J, Wlodawer, A.
登録日1989-08-28
公開日1991-04-15
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of two covalent nucleoside derivatives of ribonuclease A.
Biochemistry, 29, 1990
1TXI
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BU of 1txi by Molmil
Crystal structure of the vdr ligand binding domain complexed to TX522
分子名称: (1R,3R)-5-((Z)-2-((1R,7AS)-HEXAHYDRO-1-((S)-6-HYDROXY-6-METHYLHEPT-4-YN-2-YL)-7A-METHYL-1H-INDEN-4(7AH)-YLIDENE)ETHYLIDENE)CYCLOHEXANE-1,3-DIOL, Vitamin D receptor
著者Moras, D, Rochel, N.
登録日2004-07-05
公開日2005-05-10
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Superagonistic Action of 14-epi-Analogs of 1,25-Dihydroxyvitamin D Explained by Vitamin D Receptor-Coactivator Interaction
Mol.Pharmacol., 67, 2005
4ZZ3
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BU of 4zz3 by Molmil
Human GAR transformylase in complex with GAR and pemetrexed
分子名称: GLYCINAMIDE RIBONUCLEOTIDE, N-{4-[2-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl}-L-glutamic acid, Trifunctional purine biosynthetic protein adenosine-3
著者Deis, S.M, Dann III, C.E.
登録日2015-05-22
公開日2015-12-16
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.504 Å)
主引用文献6-Substituted Pyrrolo[2,3-d]pyrimidine Thienoyl Regioisomers as Targeted Antifolates for Folate Receptor alpha and the Proton-Coupled Folate Transporter in Human Tumors.
J.Med.Chem., 58, 2015
4ZZ1
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BU of 4zz1 by Molmil
HUMAN GAR TRANSFORMYLASE IN COMPLEX WITH GAR AND (S)-2-({4-[3-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-6-YL)-PROPYL]-THIOPHENE-2-CARBONYL}-AMINO)-PENTANEDIOIC ACID
分子名称: (S)-2-({4-[3-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)-propyl]-thiophene-2-carbonyl}-amino)-pentanedioic acid, GLYCINAMIDE RIBONUCLEOTIDE, Trifunctional purine biosynthetic protein adenosine-3
著者Deis, S.M, Dann III, C.E.
登録日2015-05-22
公開日2015-12-16
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.351 Å)
主引用文献6-Substituted Pyrrolo[2,3-d]pyrimidine Thienoyl Regioisomers as Targeted Antifolates for Folate Receptor alpha and the Proton-Coupled Folate Transporter in Human Tumors.
J.Med.Chem., 58, 2015
1UOW
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BU of 1uow by Molmil
Calcium binding domain C2B
分子名称: ACETATE ION, CALCIUM ION, GLYCEROL, ...
著者Cheng, Y, Sequeira, S.M, Sollner, T.H, Patel, D.J.
登録日2003-09-24
公開日2004-09-16
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.04 Å)
主引用文献Crystallographic Identification of Ca2+ and Sr2+ Coordination Sites in Synaptotagmin I C2B Domain
Protein Sci., 13, 2004
4ZZ2
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BU of 4zz2 by Molmil
HUMAN GAR TRANSFORMYLASE IN COMPLEX WITH GAR AND (S)-2-({5-[3-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-6-YL)-PROPYL]-THIOPHENE-3-CARBONYL}-AMINO)-PENTANEDIOIC ACID
分子名称: (S)-2-({5-[3-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)-propyl]-thiophene-3-carbonyl}-amino)-pentanedioic acid, GLYCINAMIDE RIBONUCLEOTIDE, Trifunctional purine biosynthetic protein adenosine-3
著者Deis, S.M, Dann III, C.E.
登録日2015-05-22
公開日2015-12-16
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.451 Å)
主引用文献6-Substituted Pyrrolo[2,3-d]pyrimidine Thienoyl Regioisomers as Targeted Antifolates for Folate Receptor alpha and the Proton-Coupled Folate Transporter in Human Tumors.
J.Med.Chem., 58, 2015
1UOV
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BU of 1uov by Molmil
Calcium binding domain C2B
分子名称: CALCIUM ION, GLYCEROL, SYNAPTOTAGMIN I
著者Cheng, Y, Sequeira, S.M, Sollner, T.H, Patel, D.J.
登録日2003-09-24
公開日2004-09-09
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystallographic Identification of Ca2+ and Sr2+ Coordination Sites in Synaptotagmin I C2B Domain
Protein Sci., 13, 2004
3KV0
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BU of 3kv0 by Molmil
Crystal structure of HET-C2: A FUNGAL GLYCOLIPID TRANSFER PROTEIN (GLTP)
分子名称: HET-C2
著者Simanshu, D.K, Kenoth, R, Brown, R.E, Patel, D.J.
登録日2009-11-28
公開日2010-02-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural determination and tryptophan fluorescence of heterokaryon incompatibility C2 protein (HET-C2), a fungal glycolipid transfer protein (GLTP), provide novel insights into glycolipid specificity and membrane interaction by the GLTP fold.
J.Biol.Chem., 285, 2010
7KEU
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BU of 7keu by Molmil
Cryo-EM structure of the Caspase-1-CARD:ASC-CARD octamer
分子名称: Apoptosis-associated speck-like protein containing a CARD, Caspase-1
著者Hollingsworth, L.R, David, L, Li, Y, Ruan, J, Wu, H.
登録日2020-10-12
公開日2020-11-25
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Mechanism of filament formation in UPA-promoted CARD8 and NLRP1 inflammasomes.
Nat Commun, 12, 2021
6SD9
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BU of 6sd9 by Molmil
Crystal structure of wild-type cMET bound by foretinib
分子名称: CHLORIDE ION, Hepatocyte growth factor receptor, N-(3-fluoro-4-{[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy}phenyl)-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
著者Collie, G.W, Phillips, C.
登録日2019-07-26
公開日2019-08-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structural and Molecular Insight into Resistance Mechanisms of First Generation cMET Inhibitors.
Acs Med.Chem.Lett., 10, 2019
6SDC
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BU of 6sdc by Molmil
Crystal structure of D1228V cMET bound by foretinib
分子名称: Hepatocyte growth factor receptor, N-(3-fluoro-4-{[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy}phenyl)-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
著者Collie, G.W, Phillips, C.
登録日2019-07-26
公開日2019-08-14
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Structural and Molecular Insight into Resistance Mechanisms of First Generation cMET Inhibitors.
Acs Med.Chem.Lett., 10, 2019
6SDD
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BU of 6sdd by Molmil
Crystal structure of D1228V cMET bound by BMS-777607
分子名称: GLYCEROL, Hepatocyte growth factor receptor, N-{4-[(2-amino-3-chloropyridin-4-yl)oxy]-3-fluorophenyl}-4-ethoxy-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide
著者Collie, G.W, Phillips, C.
登録日2019-07-26
公開日2019-08-14
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Structural and Molecular Insight into Resistance Mechanisms of First Generation cMET Inhibitors.
Acs Med.Chem.Lett., 10, 2019
6SDE
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BU of 6sde by Molmil
Crystal structure of wild-type cMET bound by savolitinib
分子名称: Hepatocyte growth factor receptor, volitinib
著者Collie, G.W, Phillips, C.
登録日2019-07-26
公開日2019-08-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Structural and Molecular Insight into Resistance Mechanisms of First Generation cMET Inhibitors.
Acs Med.Chem.Lett., 10, 2019

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