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2FS4
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Ketopiperazine-Based Renin Inhibitors: Optimization of the C ring
分子名称: (6R)-6-({[1-(3-HYDROXYPROPYL)-1,7-DIHYDROQUINOLIN-7-YL]OXY}METHYL)-1-(4-{3-[(2-METHOXYBENZYL)OXY]PROPOXY}PHENYL)PIPERAZIN-2-ONE, Renin
著者Holsworth, D.D, Cai, C, Cheng, X.-M, Cody, W.L, Downing, D.M, Erasga, N, Lee, C, Powell, N.A, Edmunds, J.J, Stier, M, Jalaie, M, Zhang, E, McConnell, P, Ryan, M.J, Bryant, J, Li, T, Kasani, A, Hall, E, Subedi, R, Rahim, M, Maiti, S.
登録日2006-01-20
公開日2006-06-13
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" Ring
BIOORG.MED.CHEM.LETT., 16, 2006
2G4B
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Structure of U2AF65 variant with polyuridine tract
分子名称: 1,4-DIETHYLENE DIOXIDE, 5'-R(P*UP*UP*UP*UP*UP*UP*U)-3', Splicing factor U2AF 65 kDa subunit
著者Sickmier, E.A, Kielkopf, C.L.
登録日2006-02-21
公開日2006-07-25
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural basis of polypyrimidine tract recognition by the essential splicing factor U2AF65.
Mol.Cell, 23, 2006
2FVD
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BU of 2fvd by Molmil
Cyclin Dependent Kinase 2 (CDK2) with diaminopyrimidine inhibitor
分子名称: (4-AMINO-2-{[1-(METHYLSULFONYL)PIPERIDIN-4-YL]AMINO}PYRIMIDIN-5-YL)(2,3-DIFLUORO-6-METHOXYPHENYL)METHANONE, Cell division protein kinase 2
著者Crowther, R.L, Lukacs, C.M, Kammlott, R.U.
登録日2006-01-30
公開日2006-10-10
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Discovery of [4-Amino-2-(1-methanesulfonylpiperidin-4-ylamino)pyrimidin-5-yl](2,3-difluoro-6- methoxyphenyl)methanone (R547), a potent and selective cyclin-dependent kinase inhibitor with significant in vivo antitumor activity.
J.Med.Chem., 49, 2006
2FXD
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X-ray crystal structure of HIV-1 protease IRM mutant complexed with atazanavir (BMS-232632)
分子名称: (3S,8S,9S,12S)-3,12-BIS(1,1-DIMETHYLETHYL)-8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)-6-[[4-(2-PYRIDINYL)PHENYL]METHYL]-2,5, 6,10,13-PENTAAZATETRADECANEDIOIC ACID DIMETHYL ESTER, ACETATE ION, ...
著者Klei, H.E, Sheriff, S.
登録日2006-02-04
公開日2007-02-20
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献X-ray crystal structures of human immunodeficiency virus type 1 protease mutants complexed with atazanavir.
J.Virol., 81, 2007
2GAO
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BU of 2gao by Molmil
Crystal Structure of Human SAR1a in Complex With GDP
分子名称: GTP-binding protein SAR1a, GUANOSINE-5'-DIPHOSPHATE, UNKNOWN ATOM OR ION
著者Wang, J, Dimov, S, Tempel, W, Yaniw, D, Arrowsmith, C, Edwards, A, Sundstrom, M, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
登録日2006-03-09
公開日2006-03-21
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure of Human SAR1a in Complex With GDP
To be Published
2G1S
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BU of 2g1s by Molmil
Ketopiperazine-Based Renin Inhibitors: Optimization of the C Ring
分子名称: (2S)-6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-5-YL)-2-(3,5-DIFLUOROPHENYL)-4-(3-METHOXYPROPYL)-2H-1,4-BENZOXAZIN-3(4H)-ONE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin
著者Holsworth, D.D, Jalaiea, M, Zhanga, E, Mcconnella, P.
登録日2006-02-14
公開日2006-06-13
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" Ring
BIOORG.MED.CHEM.LETT., 16, 2006
8TUI
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BU of 8tui by Molmil
Crystal structure of Fab-Lirilumab bound to KIR2DL3
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Killer cell immunoglobulin-like receptor 2DL3, Lirilumab Fab Heavy Chain, ...
著者Lorig-Roach, N, DuBois, R.M.
登録日2023-08-16
公開日2023-12-06
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Structural basis for the activity and specificity of the immune checkpoint inhibitor lirilumab.
Sci Rep, 14, 2024
8TUC
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Unphosphorylated CaMKK2 in complex with CC-8977
分子名称: (4M)-2-cyclopentyl-4-(7-ethoxyquinazolin-4-yl)benzoic acid, 1,2-ETHANEDIOL, Calcium/calmodulin-dependent protein kinase kinase 2, ...
著者Bernard, S.M, Shanmugasundaram, V, D'Agostino, L.
登録日2023-08-16
公開日2023-12-13
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Identification of Small Molecule Inhibitors and Ligand Directed Degraders of Calcium/Calmodulin Dependent Protein Kinase Kinase 1 and 2 (CaMKK1/2).
J.Med.Chem., 66, 2023
8U3N
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BU of 8u3n by Molmil
Structure of P450Blt from Micromonospora sp. MW-13
分子名称: Cytochrome P450-SU1, POTASSIUM ION, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Hansen, M.H, Cryle, M.J, Zhao, Y.
登録日2023-09-08
公開日2024-01-10
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structural Insights into a Side Chain Cross-Linking Biarylitide P450 from RiPP Biosynthesis
Acs Catalysis, 2024
8TWD
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BU of 8twd by Molmil
Structure of IraM-bound RssB
分子名称: ACETATE ION, Anti-adapter protein IraM, Regulator of RpoS
著者Brugger, C, Deaconescu, A.M.
登録日2023-08-20
公開日2024-01-10
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献IraM remodels the RssB segmented helical linker to stabilize sigma s against degradation by ClpXP.
J.Biol.Chem., 300, 2023
8U2M
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Structure of P450Blt from Micromonospora sp. MW-13 in Complex with Biarylitide
分子名称: 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL, ACETATE ION, Cytochrome P450-SU1, ...
著者Hansen, M.H, Cryle, M.J.
登録日2023-09-06
公開日2024-01-10
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Structural Insights into a Side Chain Cross-Linking Biarylitide P450 from RiPP Biosynthesis
Acs Catalysis, 2024
8TRM
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BU of 8trm by Molmil
Actin 1 from T. gondii in filaments bound to MgADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, Actin, MAGNESIUM ION
著者Hvorecny, K.L, Sladewski, T.E, Heaslip, A.T, Kollman, J.M.
登録日2023-08-09
公開日2024-03-06
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Toxoplasma gondii actin filaments are tuned for rapid disassembly and turnover.
Nat Commun, 15, 2024
8TRN
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BU of 8trn by Molmil
Actin 1 from T. gondii in filaments bound to MgADP and jasplakinolide
分子名称: ADENOSINE-5'-DIPHOSPHATE, Actin, Jasplakinolide, ...
著者Hvorecny, K.L, Sladewski, T.E, Heaslip, A.T, Kollman, J.M.
登録日2023-08-09
公開日2024-03-06
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Toxoplasma gondii actin filaments are tuned for rapid disassembly and turnover.
Nat Commun, 15, 2024
8U8J
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BU of 8u8j by Molmil
Co-crystal structure of phosphorylated ERK2 in complex with ERK1/2 inhibitor #16
分子名称: (4M)-4-{(4R)-3-[(2S)-2-methylbutyl][1,2,4]triazolo[4,3-a]pyridin-7-yl}-N-(1-methyl-1H-pyrazol-5-yl)pyrimidin-2-amine, Mitogen-activated protein kinase 1
著者Anderson, J.W, Vigers, G.P.
登録日2023-09-18
公開日2024-03-27
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Conformation selection by ATP-competitive inhibitors and allosteric communication in ERK2.
Elife, 12, 2024
8U8K
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Co-crystal structure of phosphorylated ERK2 in complex with ERK1/2 inhibitor #8
分子名称: (4M)-4-{(4S)-3-[(2-chloropyridin-3-yl)methyl][1,2,4]triazolo[4,3-a]pyridin-7-yl}-N-(oxan-4-yl)pyrimidin-2-amine, Mitogen-activated protein kinase 1
著者Anderson, J.W, Vigers, G.P.
登録日2023-09-18
公開日2024-03-27
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Conformation selection by ATP-competitive inhibitors and allosteric communication in ERK2.
Elife, 12, 2024
8U1S
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BU of 8u1s by Molmil
A mechanistic understanding of protective influenza B neuraminidase mAbs at the airway interface
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Neuraminidase, mAb-393 heavy chain, ...
著者Ferguson, J.A, Raghavan, S.S.R, Ward, A.B.
登録日2023-09-02
公開日2024-03-27
実験手法ELECTRON MICROSCOPY (3.21 Å)
主引用文献A mechanistic understanding of protective influenza B neuraminidase mAbs at the airway interface
To Be Published
8U1C
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BU of 8u1c by Molmil
A mechanistic understanding of protective influenza B neuraminidase mAbs at the airway interface
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Neuraminidase, mAb-400 heavy chain, ...
著者Ferguson, J.A, Oeverdieck, S, Ward, A.B.
登録日2023-08-31
公開日2024-03-27
実験手法ELECTRON MICROSCOPY (2.89 Å)
主引用文献A mechanistic understanding of protective influenza B neuraminidase mAbs at the airway interface
To Be Published
8U1Q
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BU of 8u1q by Molmil
A mechanistic understanding of protective influenza B neuraminidase mAbs at the airway interface
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Neuraminidase, mAb-2D10 heavy chain, ...
著者Ferguson, J.A, Oeverdieck, S, Ward, A.B.
登録日2023-09-01
公開日2024-03-27
実験手法ELECTRON MICROSCOPY (3.36 Å)
主引用文献A mechanistic understanding of protective influenza B neuraminidase mAbs at the airway interface
To Be Published
8TS0
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BU of 8ts0 by Molmil
Crystal Structure of human ASGR1 CRD (Carbohydrate Recognition Domain) bound to 8M24 Fab
分子名称: 8M24 Fab Heavy chain, 8M24 Fab Light chain, Asialoglycoprotein receptor 1, ...
著者Sampathkumar, P, Li, Y.
登録日2023-08-10
公開日2024-06-19
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Targeted protein degradation systems to enhance Wnt signaling.
Elife, 13, 2024
8THO
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Solution structure of the zinc finger repeat domain of BCL11A (ZnF456)
分子名称: B-cell lymphoma/leukemia 11A, ZINC ION
著者Viennet, T, Yin, M, Orkin, S.H, Arthanari, H.
登録日2023-07-17
公開日2024-07-24
実験手法SOLUTION NMR
主引用文献Structural and dynamic investigation of DNA-binding by BCL11A reveals a specific role for ZnF6
To Be Published
8TGT
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BU of 8tgt by Molmil
Structure of human C4b-binding protein alpha chain CCP domains 1 and 2 in complex with the hypervariable region of group A Streptococcus M68 protein
分子名称: 1,2-ETHANEDIOL, C4b-binding protein alpha chain, CALCIUM ION, ...
著者Kolesinski, P, Ghosh, P.
登録日2023-07-13
公開日2024-07-17
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of human C4b-binding protein alpha chain CCP domains 1 and 2 in complex with the hypervariable region of group A Streptococcus M68 protein
To Be Published
8THX
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Yeast actin A167E mutant wt-like
分子名称: ADENOSINE-5'-DIPHOSPHATE, Actin, MAGNESIUM ION
著者Volkmann, N, Hanein, D.
登録日2023-07-18
公開日2024-07-31
実験手法ELECTRON MICROSCOPY (3.98 Å)
主引用文献yeast actin A167E mutant wt-like
To Be Published
8THY
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BU of 8thy by Molmil
Yeast actin A167E mutant rabbit-like
分子名称: ADENOSINE-5'-DIPHOSPHATE, Actin, MAGNESIUM ION
著者Volkmann, N, Hanein, D.
登録日2023-07-18
公開日2024-07-31
実験手法ELECTRON MICROSCOPY (3.84 Å)
主引用文献yeast actin A167E mutant rabbit-like
To Be Published
8TLR
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BU of 8tlr by Molmil
Crystal Structure of human HRAS G12C covalently bound to AMG 510
分子名称: AMG 510 (bound form), GTPase HRas, GUANOSINE-5'-DIPHOSPHATE, ...
著者Morstein, J, Guiley, K.Z, Shokat, K.M.
登録日2023-07-27
公開日2024-07-31
最終更新日2024-09-25
実験手法X-RAY DIFFRACTION (1.70003951 Å)
主引用文献Targeting Ras-, Rho-, and Rab-family GTPases via a conserved cryptic pocket.
Cell, 2024
8TI3
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Yeast actin wild type
分子名称: ADENOSINE-5'-DIPHOSPHATE, Actin, MAGNESIUM ION
著者Volkmann, N, Hanein, D.
登録日2023-07-19
公開日2024-07-31
実験手法ELECTRON MICROSCOPY (4.43 Å)
主引用文献yeast actin wild type
To Be Published

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件を2024-10-09に公開中

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