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8IL3
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BU of 8il3 by Molmil
Cryo-EM structure of CD38 in complex with FTL004
分子名称: ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1, Heavy chain, Light chain
著者Yang, J, Wang, Y, Zhang, G.
登録日2023-03-01
公開日2023-03-29
実験手法ELECTRON MICROSCOPY (3.86 Å)
主引用文献FTL004, an anti-CD38 mAb with negligible RBC binding and enhanced pro-apoptotic activity, is a novel candidate for treatments of multiple myeloma and non-Hodgkin lymphoma.
J Hematol Oncol, 15, 2022
8W4U
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BU of 8w4u by Molmil
human KCNQ2-CaM in complex with PIP2 and HN37
分子名称: Calmodulin-1, Potassium voltage-gated channel subfamily KQT member 2, [(2R)-2-octanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] octanoate, ...
著者Ma, D, Li, X, Guo, J.
登録日2023-08-25
公開日2023-12-13
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Ligand activation mechanisms of human KCNQ2 channel.
Nat Commun, 14, 2023
7YT9
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BU of 7yt9 by Molmil
crystal structure of AGD1-4 of Arabidopsis AGDP3
分子名称: AGD1-4 of Arabidopsis AGDP3
著者Zhou, X, Du, J.
登録日2022-08-13
公開日2022-10-12
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The H3K9me2-binding protein AGDP3 limits DNA methylation and transcriptional gene silencing in Arabidopsis.
J Integr Plant Biol, 64, 2022
7YTA
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BU of 7yta by Molmil
crystal structure of NtAGDP3 AGD1-2 in complex with an H3K9me2 peptide
分子名称: AGDP3 AGD1-2, H3(1-15)K9me2 peptide
著者Zhou, X, Du, J.
登録日2022-08-13
公開日2022-10-12
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献The H3K9me2-binding protein AGDP3 limits DNA methylation and transcriptional gene silencing in Arabidopsis.
J Integr Plant Biol, 64, 2022
6Z7X
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BU of 6z7x by Molmil
Insulin analytical antibody OXI-005 Fab
分子名称: OXI-005 Fab Heavy chain, OXI-005 Fab Light chain
著者Johansson, E.
登録日2020-06-02
公開日2020-12-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Insulin binding to the analytical antibody sandwich pair OXI-005 and HUI-018: Epitope mapping and binding properties.
Protein Sci., 30, 2021
6Z7Y
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BU of 6z7y by Molmil
Human insulin in complex with the analytical antibody OXI-005 Fab
分子名称: Insulin, OXI-005 Fab Heavy chain, OXI-005 Fab Light chain
著者Johansson, E.
登録日2020-06-02
公開日2020-12-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Insulin binding to the analytical antibody sandwich pair OXI-005 and HUI-018: Epitope mapping and binding properties.
Protein Sci., 30, 2021
6Z7Z
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BU of 6z7z by Molmil
Porcine insulin in complex with the analytical antibody OXI-005 Fab
分子名称: Insulin, MAGNESIUM ION, OXI-005 Fab Heavy chain, ...
著者Johansson, E.
登録日2020-06-02
公開日2020-12-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Insulin binding to the analytical antibody sandwich pair OXI-005 and HUI-018: Epitope mapping and binding properties.
Protein Sci., 30, 2021
6Z7W
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BU of 6z7w by Molmil
Human insulin in complex with the analytical antibody HUI-018 Fab
分子名称: HUI-018 Fab Heavy Chain, Insulin, MAb 6H10 light chain
著者Johansson, E.
登録日2020-06-02
公開日2020-12-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Insulin binding to the analytical antibody sandwich pair OXI-005 and HUI-018: Epitope mapping and binding properties.
Protein Sci., 30, 2021
4NQQ
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BU of 4nqq by Molmil
Crystal structure of mouse P-cadherin extracellular domains EC1-EC2
分子名称: CALCIUM ION, COPPER (II) ION, Cadherin-3
著者Brasch, J, Shapiro, L.
登録日2013-11-25
公開日2014-09-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structural and energetic determinants of adhesive binding specificity in type I cadherins.
Proc.Natl.Acad.Sci.USA, 111, 2014
8IJK
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BU of 8ijk by Molmil
human KCNQ2-CaM-Ebio1 complex in the presence of PIP2
分子名称: Calmodulin-1, N-(1,2-dihydroacenaphthylen-5-yl)-4-fluoranyl-benzamide, Potassium voltage-gated channel subfamily KQT member 2
著者Ma, D, Guo, J.
登録日2023-02-27
公開日2024-01-17
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献A small-molecule activation mechanism that directly opens the KCNQ2 channel.
Nat.Chem.Biol., 2024
6KYQ
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BU of 6kyq by Molmil
Crystal structure of DCLK1 Autoinhibited Kinase Domain
分子名称: BETA-MERCAPTOETHANOL, Serine/threonine-protein kinase DCLK1
著者Yu, Y, Chen, Q.
登録日2019-09-20
公開日2020-09-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.141 Å)
主引用文献DCLK1 Autoinhibition and Activation in Tumorigenesis
Innovation (N Y), 2021
6KYR
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BU of 6kyr by Molmil
Crystal structure of DCLK1 mutant (P675L) Autoinhibited Kinase Domain
分子名称: BETA-MERCAPTOETHANOL, Serine/threonine-protein kinase DCLK1
著者Yu, Y, Chen, Q.
登録日2019-09-20
公開日2020-09-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.206 Å)
主引用文献DCLK1 Autoinhibition and Activation in Tumorigenesis
Innovation (N Y), 2021
3SE8
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BU of 3se8 by Molmil
Crystal structure of broadly and potently neutralizing antibody VRC03 in complex with HIV-1 gp120
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Kwong, P.D, Zhou, T.
登録日2011-06-10
公開日2011-08-10
最終更新日2021-04-07
実験手法X-RAY DIFFRACTION (1.895 Å)
主引用文献Focused evolution of HIV-1 neutralizing antibodies revealed by structures and deep sequencing.
Science, 333, 2011
3SE9
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BU of 3se9 by Molmil
Crystal structure of broadly and potently neutralizing antibody VRC-PG04 in complex with HIV-1 gp120
分子名称: (R,R)-2,3-BUTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Kwong, P.D, Zhou, T.
登録日2011-06-10
公開日2011-08-10
最終更新日2021-04-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Focused evolution of HIV-1 neutralizing antibodies revealed by structures and deep sequencing.
Science, 333, 2011
3M6F
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BU of 3m6f by Molmil
CD11A I-domain complexed with 6-((5S,9R)-9-(4-CYANOPHENYL)-3-(3,5-DICHLOROPHENYL)-1-METHYL-2,4-DIOXO-1,3,7- TRIAZASPIRO[4.4]NON-7-YL)NICOTINIC ACID
分子名称: 6-[(5S,9R)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]non-7-yl]pyridine-3-carboxylic acid, Integrin alpha-L, NITRATE ION
著者Sheriff, S.
登録日2010-03-15
公開日2010-05-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Small molecule antagonist of leukocyte function associated antigen-1 (LFA-1): structure-activity relationships leading to the identification of 6-((5S,9R)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl)nicotinic acid (BMS-688521).
J.Med.Chem., 53, 2010
5WOE
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BU of 5woe by Molmil
Solution structure of the sorting nexin 25 phox-homology domain
分子名称: Sorting nexin-25
著者Chin, Y.K.Y, Mas, C, Mobli, M, Collins, B.M.
登録日2017-08-01
公開日2018-08-08
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Classification of the human phox homology (PX) domains based on their phosphoinositide binding specificities.
Nat Commun, 10, 2019
6EDX
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BU of 6edx by Molmil
Crystal Structure of SGK3 PX domain
分子名称: GLYCEROL, Serine/threonine-protein kinase Sgk3
著者Chandra, M, Collins, B.M.
登録日2018-08-12
公開日2018-09-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.009 Å)
主引用文献Classification of the human phox homology (PX) domains based on their phosphoinositide binding specificities.
Nat Commun, 10, 2019
4X7I
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BU of 4x7i by Molmil
Crystal Structure of BACE with amino thiazine inhibitor LY2886721
分子名称: Beta-secretase 1, GLYCEROL, N-{3-[(4aS,7aS)-2-amino-4a,5-dihydro-4H-furo[3,4-d][1,3]thiazin-7a(7H)-yl]-4-fluorophenyl}-5-fluoropyridine-2-carboxamide
著者Timm, D.E.
登録日2014-12-09
公開日2014-12-24
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献The Potent BACE1 Inhibitor LY2886721 Elicits Robust Central A beta Pharmacodynamic Responses in Mice, Dogs, and Humans.
J.Neurosci., 35, 2015
8X43
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BU of 8x43 by Molmil
human KCNQ2-CaM-Ebio1-S1 complex in the presence of PIP2
分子名称: Calmodulin-1, N-(4-azanyl-1,2-dihydroacenaphthylen-5-yl)-4-fluoranyl-benzamide, Potassium voltage-gated channel subfamily KQT member 2
著者Ma, D, Guo, J.
登録日2023-11-15
公開日2024-01-17
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献A small-molecule activation mechanism that directly opens the KCNQ2 channel.
Nat.Chem.Biol., 2024
4RL5
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BU of 4rl5 by Molmil
Crystal structure of the Arabidopsis exocyst subunit exo70 family protein A1
分子名称: Exocyst complex component EXO70A1
著者Zhang, Z.-M, Zhang, C, Song, J.
登録日2014-10-15
公開日2015-11-25
最終更新日2017-08-23
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Endosidin2 targets conserved exocyst complex subunit EXO70 to inhibit exocytosis.
Proc.Natl.Acad.Sci.USA, 113, 2016
5I9H
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BU of 5i9h by Molmil
Crystal structure of designed pentatricopeptide repeat protein dPPR-U8G2 in complex with its target RNA U8G2
分子名称: RNA (5'-R(*GP*GP*GP*GP*UP*UP*UP*UP*GP*GP*UP*UP*UP*UP*CP*CP*CP*C)-3'), pentatricopeptide repeat protein dPPR-U8G2
著者Shen, C, Zhang, D, Guan, Z, Zou, T, Yin, P.
登録日2016-02-20
公開日2016-04-27
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.504 Å)
主引用文献Structural basis for specific single-stranded RNA recognition by designer pentatricopeptide repeat proteins.
Nat Commun, 7, 2016
5I9G
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BU of 5i9g by Molmil
Crystal structure of designed pentatricopeptide repeat protein dPPR-U8C2 in complex with its target RNA U8C2
分子名称: RNA (5'-R(*GP*GP*G*GP*UP*UP*UP*UP*CP*CP*UP*UP*UP*UP*CP*CP*CP*C)-3'), pentatricopeptide repeat protein dPPR-U8C2
著者Shen, C, Zhang, D, Guan, Z, Zou, T, Yin, P.
登録日2016-02-20
公開日2016-04-27
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.288 Å)
主引用文献Structural basis for specific single-stranded RNA recognition by designer pentatricopeptide repeat proteins.
Nat Commun, 7, 2016
5I9F
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BU of 5i9f by Molmil
Crystal structure of designed pentatricopeptide repeat protein dPPR-U10 in complex with its target RNA U10
分子名称: RNA (5'-R(*GP*GP*GP*GP*UP*UP*UP*UP*UP*UP*UP*UP*UP*UP*CP*CP*CP*C)-3'), pentatricopeptide repeat protein dPPR-U10
著者Shen, C, Zhang, D, Guan, Z, Zou, T, Yin, Y.
登録日2016-02-20
公開日2016-04-27
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.194 Å)
主引用文献Structural basis for specific single-stranded RNA recognition by designer pentatricopeptide repeat proteins.
Nat Commun, 7, 2016
5I9D
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BU of 5i9d by Molmil
Crystal structure of designed pentatricopeptide repeat protein dPPR-U8A2 in complex with its target RNA U8A2
分子名称: RNA (5'-R(*GP*GP*GP*G*UP*UP*UP*UP*AP*AP*UP*UP*UP*UP*CP*CP*CP*C)-3'), pentatricopeptide repeat protein dPPR-U8A2
著者Shen, C, Zhang, D, Guan, Z, Zou, T, Yin, P.
登録日2016-02-20
公開日2016-04-27
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.596 Å)
主引用文献Structural basis for specific single-stranded RNA recognition by designer pentatricopeptide repeat proteins.
Nat Commun, 7, 2016
2ICA
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BU of 2ica by Molmil
CD11a (LFA1) I-domain complexed with BMS-587101 aka 5-[(5S, 9R)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro [4.4]non-7-yl]methyl]-3-thiophenecarboxylicacid
分子名称: 5-[(5S,9R)-9-(4-CYANOPHENYL)-3-(3,5-DICHLOROPHENYL)-1-METHYL-2,4-DIOXO-1,3,7-TRIAZASPIRO [4.4]NON-7-YL]METHYL]-3-THIOPHENECARBOXYLICACID, Integrin alpha-L
著者Sheriff, S, Einspahr, H.
登録日2006-09-12
公開日2006-12-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Discovery and Development of 5-[(5S,9R)-9- (4-Cyanophenyl)-3-(3,5-dichlorophenyl)-1- methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]non- 7-yl-methyl]-3-thiophenecarboxylic acid (BMS-587101)-A Small Molecule Antagonist Leukocyte Function Associated Antigen-1.
J.Med.Chem., 49, 2006

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