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3B2W
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BU of 3b2w by Molmil
Crystal structure of pyrimidine amide 11 bound to Lck
分子名称: N-[5-({[2-fluoro-3-(trifluoromethyl)phenyl]amino}carbonyl)-2-methylphenyl]-4-methoxy-2-[(4-piperazin-1-ylphenyl)amino]pyrimidine-5-carboxamide, Proto-oncogene tyrosine-protein kinase LCK
著者Huang, X.
登録日2007-10-19
公開日2007-12-18
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献N-(3-(phenylcarbamoyl)arylpyrimidine)-5-carboxamides as potent and selective inhibitors of Lck: structure, synthesis and SAR.
Bioorg.Med.Chem.Lett., 18, 2008
3B32
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BU of 3b32 by Molmil
Crystal Structure of Calcium-Saturated Calmodulin N-Terminal Domain Fragment, Residues 1-75
分子名称: CALCIUM ION, Calmodulin
著者Newman, R.A, Shea, M.A.
登録日2007-10-19
公開日2007-11-13
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Thermodynamics and conformational change governing domain-domain interactions of calmodulin.
Methods Enzymol., 466, 2009
3B8Z
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BU of 3b8z by Molmil
High Resolution Crystal Structure of the Catalytic Domain of ADAMTS-5 (Aggrecanase-2)
分子名称: CALCIUM ION, N-hydroxy-4-({4-[4-(trifluoromethyl)phenoxy]phenyl}sulfonyl)tetrahydro-2H-pyran-4-carboxamide, ZINC ION, ...
著者Shieh, H.-S, Williams, J.M, Mathis, K.J, Tortorella, M.D, Tomasselli, A.
登録日2007-11-02
公開日2007-12-11
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献High resolution crystal structure of the catalytic domain of ADAMTS-5 (aggrecanase-2).
J.Biol.Chem., 283, 2008
3BBU
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BU of 3bbu by Molmil
The Hsp15 protein fitted into the low resolution Cryo-EM map of the 50S.nc-tRNA.Hsp15 complex
分子名称: Heat Shock Protein 15
著者Jiang, L, Abrahams, J.P.
登録日2007-11-11
公開日2008-10-21
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (10 Å)
主引用文献Recycling of Aborted Ribosomal 50S Subunit-Nascent Chain-tRNA Complexes by the Heat Shock Protein Hsp15.
J.Mol.Biol., 386, 2009
3BIC
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BU of 3bic by Molmil
Crystal structure of human methylmalonyl-CoA mutase
分子名称: CHLORIDE ION, Methylmalonyl-CoA mutase, mitochondrial precursor
著者Ugochukwu, E, Kochan, G, Pantic, N, Parizotto, E, Pilka, E.S, Pike, A.C.W, Gileadi, O, von Delft, F, Arrowsmith, C.H, Weigelt, J, Edwards, A.M, Oppermann, U, Structural Genomics Consortium (SGC)
登録日2007-11-30
公開日2007-12-25
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structures of the human GTPase MMAA and vitamin B12-dependent methylmalonyl-CoA mutase and insight into their complex formation.
J.Biol.Chem., 285, 2010
2A0K
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BU of 2a0k by Molmil
Crystal structure of Nucleoside 2-deoxyribosyltransferase from Trypanosoma brucei at 1.8 A resolution
分子名称: GLYCEROL, Nucleoside 2-deoxyribosyltransferase, SULFATE ION
著者Bosch, J, Robien, M.A, Hol, W.G.J, Structural Genomics of Pathogenic Protozoa Consortium (SGPP)
登録日2005-06-16
公開日2005-07-26
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Using fragment cocktail crystallography to assist inhibitor design of Trypanosoma brucei nucleoside 2-deoxyribosyltransferase.
J.Med.Chem., 49, 2006
6WIZ
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BU of 6wiz by Molmil
Crystal structure of Fab 54-1G05 bound to H1 influenza hemagglutinin
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab 54-1G05 heavy chain, Fab 54-1G05 light chain, ...
著者Wu, N.C, Wilson, I.A.
登録日2020-04-11
公開日2020-07-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (4.2 Å)
主引用文献Convergent Evolution in Breadth of Two VH6-1-Encoded Influenza Antibody Clonotypes from a Single Donor.
Cell Host Microbe, 28, 2020
4XVY
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BU of 4xvy by Molmil
MycF mycinamicin III 3'-O-methyltransferase in complex with SAH
分子名称: MAGNESIUM ION, Mycinamicin III 3''-O-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
著者Akey, D.L, Smith, J.L.
登録日2015-01-28
公開日2015-03-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Structural Basis of Substrate Specificity and Regiochemistry in the MycF/TylF Family of Sugar O-Methyltransferases.
Acs Chem.Biol., 10, 2015
6U9U
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BU of 6u9u by Molmil
Structure of GM9_TH8seq732127 FAB
分子名称: 1,2-ETHANEDIOL, FORMIC ACID, GM9_TH8seq732127 FAB heavy chain, ...
著者Singh, S, Liban, T.J, Pancera, M.
登録日2019-09-09
公開日2019-11-06
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Extensive dissemination and intraclonal maturation of HIV Env vaccine-induced B cell responses.
J.Exp.Med., 217, 2020
6U3Z
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BU of 6u3z by Molmil
Structure of VD20_5A4 Fab
分子名称: ACETATE ION, CHLORIDE ION, GLYCEROL, ...
著者Dionne, G, Shapiro, L.
登録日2019-08-22
公開日2019-11-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.99002314 Å)
主引用文献Extensive dissemination and intraclonal maturation of HIV Env vaccine-induced B cell responses.
J.Exp.Med., 217, 2020
6UCF
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BU of 6ucf by Molmil
N123-VRC34_pI4 HIV neutralizing antibody in complex with HIV fusion peptide residue 512-519
分子名称: HIV fusion peptide, N123-VRC34_pI4 heavy chain, N123-VRC34_pI4 light chain
著者Xu, K, Kwong, P.D.
登録日2019-09-16
公開日2020-03-18
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.29 Å)
主引用文献VRC34-Antibody Lineage Development Reveals How a Required Rare Mutation Shapes the Maturation of a Broad HIV-Neutralizing Lineage.
Cell Host Microbe, 27, 2020
4YDI
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BU of 4ydi by Molmil
Crystal structure of broad and potently neutralizing VRC01-class antibody Z258-VRC27.01, isolated from human donor Z258, in complex with HIV-1 gp120 from clade A strain Q23.17
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp160, ...
著者Zhou, T, Srivatsan, S, Kwong, P.D.
登録日2015-02-22
公開日2015-06-03
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (3.452 Å)
主引用文献Structural Repertoire of HIV-1-Neutralizing Antibodies Targeting the CD4 Supersite in 14 Donors.
Cell, 161, 2015
4YDK
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BU of 4ydk by Molmil
Crystal structure of broadly and potently neutralizing antibody C38-VRC16.01 in complex with HIV-1 clade AE strain 93TH057 gp120
分子名称: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ...
著者Zhou, T, Moquin, S, Zheng, A, Kwong, P.D.
登録日2015-02-22
公開日2015-06-03
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.051 Å)
主引用文献Structural Repertoire of HIV-1-Neutralizing Antibodies Targeting the CD4 Supersite in 14 Donors.
Cell, 161, 2015
6UIB
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BU of 6uib by Molmil
Crystal structure of IL23 bound to peptide 23-652
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-12 subunit beta, Interleukin-23 subunit alpha, ...
著者Durbin, J.D, Wang, J, Afshar, S.
登録日2019-09-30
公開日2020-07-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.74 Å)
主引用文献Integration of phage and yeast display platforms: A reliable and cost effective approach for binning of peptides as displayed on-phage.
Plos One, 15, 2020
4YRC
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BU of 4yrc by Molmil
Crystal structure of T. cruzi Histidyl-tRNA synthetase in complex with 2-aminoquinolin-8-ol (Chem 89)
分子名称: 1,2-ETHANEDIOL, 2-aminoquinolin-8-ol, DIMETHYL SULFOXIDE, ...
著者Koh, C.-Y, Hol, W.G.J.
登録日2015-03-15
公開日2015-08-12
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A binding hotspot in Trypanosoma cruzi histidyl-tRNA synthetase revealed by fragment-based crystallographic cocktail screens.
Acta Crystallogr. D Biol. Crystallogr., 71, 2015
4YRM
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BU of 4yrm by Molmil
Crystal structure of T. cruzi Histidyl-tRNA synthetase in complex with 3-methoxypyridine (Chem 443)
分子名称: 1,2-ETHANEDIOL, 3-methoxypyridine, GLYCEROL, ...
著者Koh, C.-Y, Hol, W.G.J.
登録日2015-03-15
公開日2015-08-12
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A binding hotspot in Trypanosoma cruzi histidyl-tRNA synthetase revealed by fragment-based crystallographic cocktail screens.
Acta Crystallogr. D Biol. Crystallogr., 71, 2015
6X06
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BU of 6x06 by Molmil
Nup120 (aa1-757) from S. cerevisiae bound by VHH-SAN11
分子名称: Nucleoporin NUP120, VHH-SAN11
著者Knockenhauer, K.E, Nordeen, S.A, Schwartz, T.U.
登録日2020-05-15
公開日2020-12-09
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (4.27 Å)
主引用文献A nanobody suite for yeast scaffold nucleoporins provides details of the nuclear pore complex structure.
Nat Commun, 11, 2020
6X2E
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BU of 6x2e by Molmil
Crystal Structure of Chlamydia trachomatis mixed (apo/holo) Glyceraldehyde 3-phosphate dehydrogenase
分子名称: Glyceraldehyde-3-phosphate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Schormann, N, Chattopadhyay, D.
登録日2020-05-20
公開日2020-11-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Chlamydia trachomatis glyceraldehyde 3-phosphate dehydrogenase: Enzyme kinetics, high-resolution crystal structure, and plasminogen binding.
Protein Sci., 29, 2020
4YRK
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BU of 4yrk by Molmil
Crystal structure of T. cruzi Histidyl-tRNA synthetase in complex with (4-chlorophenyl)methanol (Chem 260)
分子名称: (4-chlorophenyl)methanol, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ...
著者Koh, C.-Y, Hol, W.G.J.
登録日2015-03-15
公開日2015-08-12
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献A binding hotspot in Trypanosoma cruzi histidyl-tRNA synthetase revealed by fragment-based crystallographic cocktail screens.
Acta Crystallogr. D Biol. Crystallogr., 71, 2015
4YDJ
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BU of 4ydj by Molmil
Crystal structure of broadly and potently neutralizing antibody 44-VRC13.01 in complex with HIV-1 clade AE strain 93TH057 gp120
分子名称: (R,R)-2,3-BUTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
著者Zhou, T, Moquin, S, Kwong, P.D.
登録日2015-02-22
公開日2015-06-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.308 Å)
主引用文献Structural Repertoire of HIV-1-Neutralizing Antibodies Targeting the CD4 Supersite in 14 Donors.
Cell, 161, 2015
6WWC
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BU of 6wwc by Molmil
Vaccine-elicited mouse FP-targeting neutralizing antibody vFP16.02 with S48K mutation in light chain in complex with HIV fusion peptide (residue 512-519)
分子名称: fusion peptide, vFP16.02 antibody heavy chain, vFP16.02 antibody light chain
著者Xu, K, Wang, Y, Kwong, P.D.
登録日2020-05-09
公開日2021-02-24
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.563 Å)
主引用文献Mutational fitness landscapes reveal genetic and structural improvement pathways for a vaccine-elicited HIV-1 broadly neutralizing antibody.
Proc.Natl.Acad.Sci.USA, 118, 2021
6WZT
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BU of 6wzt by Molmil
CryoEM structure of influenza hemagglutinin A/Victoria/361/2011 in complex with cyno antibody 3B10
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, Cyno antibody heavy chain, ...
著者Qiu, Y, Zhou, Y, Darricarrere, N.
登録日2020-05-14
公開日2021-03-10
最終更新日2021-03-17
実験手法ELECTRON MICROSCOPY (4.4 Å)
主引用文献Broad neutralization of H1 and H3 viruses by adjuvanted influenza HA stem vaccines in nonhuman primates.
Sci Transl Med, 13, 2021
6WPE
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HUMAN IDO1 IN COMPLEX WITH COMPOUND 4
分子名称: 4-chloro-N-{[1-(3-chlorobenzene-1-carbonyl)-1,2,3,4-tetrahydroquinolin-6-yl]methyl}benzamide, Indoleamine 2,3-dioxygenase 1
著者Lesburg, C.A, Lammens, A.
登録日2020-04-27
公開日2021-03-10
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Carbamate and N -Pyrimidine Mitigate Amide Hydrolysis: Structure-Based Drug Design of Tetrahydroquinoline IDO1 Inhibitors.
Acs Med.Chem.Lett., 12, 2021
6WU8
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BU of 6wu8 by Molmil
Structure of human SHP2 in complex with inhibitor IACS-13909
分子名称: 1-[3-(2,3-dichlorophenyl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine, Tyrosine-protein phosphatase non-receptor type 11
著者Leonard, P.G, Joseph, S, Rodenberger, A.
登録日2020-05-04
公開日2021-03-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Allosteric SHP2 Inhibitor, IACS-13909, Overcomes EGFR-Dependent and EGFR-Independent Resistance Mechanisms toward Osimertinib.
Cancer Res., 80, 2020
6WX2
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BU of 6wx2 by Molmil
Vaccine-elicited mouse FP-targeting neutralizing antibody vFP16.02 with F60P mutation on light chain in complex with HIV fusion peptide (residue 512-519)
分子名称: fusion peptide, vFP16.02 antibody heavy chain, vFP16.02 antibody light chain
著者Xu, K, Wang, Y, Kwong, P.D.
登録日2020-05-09
公開日2021-03-17
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Mutational fitness landscapes reveal genetic and structural improvement pathways for a vaccine-elicited HIV-1 broadly neutralizing antibody.
Proc.Natl.Acad.Sci.USA, 118, 2021

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