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PDB: 3272 件
5DJX
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BU of 5djx by Molmil
Fc Heterodimer Design 2.9 L368M/K370E + E357A/S364G
分子名称: Fc-III peptide, Ig gamma-1 chain C region, beta-D-galactopyranose-(1-4)-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
著者Atwell, S, Leaver-Fay, A, Froning, K.J, Aldaz, H, Pustilnik, A, Lu, F, Huang, F, Yuan, R, Dhanani, S.H, Chamberlain, A.K, Fitchett, J.R, Gutierrez, B, Hendle, J, Demarest, S.J, Kuhlman, B.
登録日2015-09-02
公開日2016-03-30
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Computationally Designed Bispecific Antibodies using Negative State Repertoires.
Structure, 24, 2016
5DMZ
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BU of 5dmz by Molmil
Structure of human Bub1 kinase domain phosphorylated at Ser969
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Mitotic checkpoint serine/threonine-protein kinase BUB1
著者Breit, C, Weir, J.R, Musacchio, A.
登録日2015-09-09
公開日2015-12-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Role of Intrinsic and Extrinsic Factors in the Regulation of the Mitotic Checkpoint Kinase Bub1.
Plos One, 10, 2015
5DVK
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BU of 5dvk by Molmil
Fc Design 7.7 B chain homodimer T366V/K409I
分子名称: Ig gamma-1 chain C region
著者Atwell, S, Leaver-Fay, A, Froning, K.J, Aldaz, H, Pustilnik, A, Lu, F, Huang, F, Yuan, R, Dhanani, S.H, Chamberlain, A.K, Fitchett, J.R, Gutierrez, B, Hendle, J, Demarest, S.J, Kuhlman, B.
登録日2015-09-21
公開日2016-03-30
最終更新日2016-04-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Computationally Designed Bispecific Antibodies using Negative State Repertoires.
Structure, 24, 2016
5DW5
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BU of 5dw5 by Molmil
Succinyl-CoA:acetate CoA-transferase (AarCH6) bound to the CoA analogue 3'-phosphoadenosine 5'-(O-(N-propylpantothenamide))pyrophosphate (MX)
分子名称: ACETATE ION, CHLORIDE ION, IMIDAZOLE, ...
著者Kappock, T.J, Murphy, J.R.
登録日2015-09-22
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.656 Å)
主引用文献Functional Dissection of the Bipartite Active Site of the Class I Coenzyme A (CoA)-Transferase Succinyl-CoA:Acetate CoA-Transferase.
Front Chem, 4, 2016
5E0E
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BU of 5e0e by Molmil
Crystal Structure of Cytochrome P450 2B37 from Desert Woodrat in complex with 4-(4-chlorophenyl)imidazole
分子名称: 4-(4-CHLOROPHENYL)IMIDAZOLE, Cytochrome P450 family 2 subfamily B, PROTOPORPHYRIN IX CONTAINING FE
著者Shah, M.B, Halpert, J.R, Stout, C.D.
登録日2015-09-28
公開日2016-02-10
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Structure-Function Analysis of Mammalian CYP2B Enzymes Using 7-Substituted Coumarin Derivatives as Probes: Utility of Crystal Structures and Molecular Modeling in Understanding Xenobiotic Metabolism.
Mol.Pharmacol., 89, 2016
3ECI
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BU of 3eci by Molmil
Microtubule-associated protein 1 light chain 3 alpha isoform A (MAP1ALC3)
分子名称: Microtubule-associated protein 1 light chain 3 alpha
著者Walker, J.R, Davis, T.L, Mujib, S, Butler-Cole, C, Tempel, W, Weigelt, J, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Botchkarev, A, Dhe-Paganon, S.
登録日2008-08-30
公開日2008-10-14
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Human Autophagy-Related Protein LC3 A
To be Published
5DVM
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BU of 5dvm by Molmil
Fc Design 20.8.37 B chain homodimer E357D/S364R/Y407A
分子名称: Fc-III peptide, Ig gamma-1 chain C region
著者Atwell, S, Leaver-Fay, A, Froning, K.J, Aldaz, H, Pustilnik, A, Lu, F, Huang, F, Yuan, R, Dhanani, S.H, Chamberlain, A.K, Fitchett, J.R, Gutierrez, B, Hendle, J, Demarest, S.J, Kuhlman, B.
登録日2015-09-21
公開日2016-03-30
最終更新日2016-07-06
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Computationally Designed Bispecific Antibodies using Negative State Repertoires.
Structure, 24, 2016
5DW6
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BU of 5dw6 by Molmil
Succinyl-CoA:acetate CoA-transferase (AarCH6) bound to acetate and the CoA analogue 3'-phosphoadenosine 5'-(O-(N-propyl-R-pantothenamide))pyrophosphate (MX)
分子名称: ACETATE ION, IMIDAZOLE, Succinyl-CoA:acetate CoA-transferase, ...
著者Kappock, T.J, Murphy, J.R.
登録日2015-09-22
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.548 Å)
主引用文献Functional Dissection of the Bipartite Active Site of the Class I Coenzyme A (CoA)-Transferase Succinyl-CoA:Acetate CoA-Transferase.
Front Chem, 4, 2016
8T9U
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BU of 8t9u by Molmil
Human PU.1 ETS-domain (165-270) in complex with d(AATAAGCGIAAGTGGG)
分子名称: DNA (5'-D(*AP*AP*TP*AP*AP*GP*CP*GP*IP*AP*AP*GP*TP*GP*GP*G)-3'), DNA (5'-D(*TP*CP*CP*CP*AP*CP*TP*TP*CP*CP*GP*CP*TP*TP*AP*T)-3'), SODIUM ION, ...
著者Terrell, J.R, Poon, G.M.K.
登録日2023-06-26
公開日2023-11-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Dissection of integrated readout reveals the structural thermodynamics of DNA selection by transcription factors.
Structure, 32, 2024
3EBB
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BU of 3ebb by Molmil
PLAP/P97 complex
分子名称: MAGNESIUM ION, PHOSPHOLIPASE A2-ACTIVATING PROTEIN, TRANSITIONAL ENDOPLASMIC RETICULUM ATPASE (TER ATP
著者Walker, J.R, Qiu, L, Akutsu, M, Slessarev, Y, Amaya, M.F, Li, Y, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
登録日2008-08-27
公開日2009-02-24
最終更新日2014-04-02
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure and function of the PLAA/Ufd3-p97/Cdc48 complex.
J.Biol.Chem., 285, 2010
3EML
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BU of 3eml by Molmil
The 2.6 A Crystal Structure of a Human A2A Adenosine Receptor bound to ZM241385.
分子名称: 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, Human Adenosine A2A receptor/T4 lysozyme chimera, STEARIC ACID, ...
著者Jaakola, V.-P, Griffith, M.T, Hanson, M.A, Cherezov, V, Chien, E.Y.T, Lane, J.R, Ijzerman, A.P, Stevens, R.C, Accelerated Technologies Center for Gene to 3D Structure (ATCG3D), GPCR Network (GPCR)
登録日2008-09-24
公開日2008-10-14
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The 2.6 Angstrom Crystal Structure of a Human A2A Adenosine Receptor Bound to an Antagonist.
Science, 322, 2008
3EJW
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BU of 3ejw by Molmil
Crystal Structure of the Sinorhizobium meliloti AI-2 receptor, SmLsrB
分子名称: (2R,4S)-2-methyl-2,3,3,4-tetrahydroxytetrahydrofuran, SmLsrB
著者Miller, S.T, McAuley, J.R, Pereira, C, Xavier, K.B, Taga, M.E.
登録日2008-09-18
公開日2008-12-02
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Sinorhizobium meliloti, a bacterium lacking the autoinducer-2 (AI-2) synthase, responds to AI-2 supplied by other bacteria.
Mol.Microbiol., 70, 2008
5E16
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BU of 5e16 by Molmil
Co-crystal structure of the N-termial cGMP binding domain of Plasmodium falciparum PKG with cGMP
分子名称: CGMP-dependent protein kinase, CYCLIC GUANOSINE MONOPHOSPHATE
著者El Bakkouri, M, Walker, J.R, Loppnau, P, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Structural Genomics Consortium (SGC)
登録日2015-09-29
公開日2015-11-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structures of the cGMP-dependent protein kinase in malaria parasites reveal a unique structural relay mechanism for activation.
Proc.Natl.Acad.Sci.USA, 116, 2019
3EBQ
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BU of 3ebq by Molmil
Crystal structure of human PPPDE1
分子名称: MERCURY (II) ION, MOLECULE: PPPDE1 (PERMUTED PAPAIN FOLD PEPTIDASES OF DSRNA VIRUSES AND EUKARYOTES 1), UPF0326 protein FAM152B
著者Walker, J.R, Akutsu, M, Qiu, L, Li, Y, Slessarev, Y, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Botchkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
登録日2008-08-28
公開日2008-11-04
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure of Human PPPDE1
To be Published
5EA9
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BU of 5ea9 by Molmil
Crystal Structure of Trypanosoma cruzi Dihydroorotate Dehydrogenase in Complex with Neq0130
分子名称: 1,2-ETHANEDIOL, 5-[(E)-3-thiophen-2-ylprop-2-enylidene]-1,3-diazinane-2,4,6-trione, COBALT HEXAMMINE(III), ...
著者Rocha, J.R, Inaoka, D.K, Cheleski, J, Shiba, T, Harada, S, Montanari, C.A, Kita, K.
登録日2015-10-15
公開日2016-10-19
最終更新日2020-02-19
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Exploring Trypanosoma cruzi Dihydroorotate Dehydrogenase Active Site Plasticity for the Discovery of Potent and Selective Inhibitors with Trypanocidal Activity
To be Published
5EAL
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BU of 5eal by Molmil
Crystal structure of human WDR5 in complex with compound 9h
分子名称: 1,2-ETHANEDIOL, 3-methyl-~{N}-[2-(4-methylpiperazin-1-yl)-5-quinolin-3-yl-phenyl]benzamide, CHLORIDE ION, ...
著者DONG, A, DOMBROVSKI, L, SMIL, D, GETLIK, M, BOLSHAN, Y, WALKER, J.R, SENISTERRA, G, PODA, G, AL-AWAR, R, SCHAPIRA, M, VEDADI, M, Bountra, C, Edwards, A.M, Arrowsmith, C.H, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC)
登録日2015-10-16
公開日2015-11-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of human WDR5 in complex with compound 9h
to be published
3ELA
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BU of 3ela by Molmil
Crystal structure of active site inhibited coagulation factor VIIA mutant in complex with soluble tissue factor
分子名称: CALCIUM ION, Coagulation factor VIIA heavy chain, Coagulation factor VIIA light chain, ...
著者Bjelke, J.R, Fodje, M, Svensson, L.A.
登録日2008-09-21
公開日2008-11-04
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Mechanism of the Ca2+-induced enhancement of the intrinsic factor VIIa activity
J.Biol.Chem., 283, 2008
3EPZ
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BU of 3epz by Molmil
Structure of the replication foci-targeting sequence of human DNA cytosine methyltransferase DNMT1
分子名称: DNA (cytosine-5)-methyltransferase 1, GLYCEROL, SODIUM ION, ...
著者Walker, J.R, Avvakumov, G.V, Xue, S, Li, Y, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
登録日2008-09-30
公開日2008-11-25
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献The replication focus targeting sequence (RFTS) domain is a DNA-competitive inhibitor of Dnmt1.
J.Biol.Chem., 286, 2011
8T0O
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BU of 8t0o by Molmil
Fab from mAb RB2AT_87
分子名称: CHLORIDE ION, RB2AT_87 Fab Heavy chain, RB2AT_87 Fab Light chain
著者Kreutzer, A.G, Malonis, R.J, Lai, J.R, Nowick, J.S.
登録日2023-06-01
公開日2024-03-27
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Generation and Study of Antibodies against Two Triangular Trimers Derived from A beta.
Pept Sci (Hoboken), 116, 2024
8SVI
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BU of 8svi by Molmil
Ubiquitin variant i53:Mutant L67H with 53BP1 Tudor domain
分子名称: GLYCEROL, Tumor protein p53 binding protein 1, Ubiquitin Variant i53: Mutant L67H
著者Partridge, J.R, Holden, J.K, Wibowo, A.S, Mulichak, A.
登録日2023-05-16
公開日2024-03-27
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Functional screening in human HSPCs identifies optimized protein-based enhancers of Homology Directed Repair.
Nat Commun, 15, 2024
8SVJ
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BU of 8svj by Molmil
Ubiquitin variant i53: mutant VHH with 53BP1 Tudor domain
分子名称: GLYCEROL, Tumor protein p53 binding protein 1, Ubiquitin varient i53 mutant VHH
著者Holden, J, Partridge, J.R, Wibowo, A.S, Mulichak, A.
登録日2023-05-16
公開日2024-03-27
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Functional screening in human HSPCs identifies optimized protein-based enhancers of Homology Directed Repair.
Nat Commun, 15, 2024
8T2D
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BU of 8t2d by Molmil
Ubiquitin variant i53:Mutant T12Y.T14E.L67R with 53BP1 Tudor domain
分子名称: Tumor protein p53 binding protein 1, Ubiquitin variant i53
著者Partridge, J.R, Holden, J.K, Wibowo, A.S, Mulichak, A.
登録日2023-06-05
公開日2024-03-27
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.751 Å)
主引用文献Functional screening in human HSPCs identifies optimized protein-based enhancers of Homology Directed Repair.
Nat Commun, 15, 2024
8SVG
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BU of 8svg by Molmil
Ubiquitin variant i53 in complex with 53BP1 Tudor domain
分子名称: Tumor protein p53 binding protein 1, Ubiquitin variant i53
著者Holden, J.K, Partridge, J.R, Wibowo, A.S, Mulichak, A.
登録日2023-05-16
公開日2024-03-27
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.21 Å)
主引用文献Functional screening in human HSPCs identifies optimized protein-based enhancers of Homology Directed Repair.
Nat Commun, 15, 2024
8SVH
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BU of 8svh by Molmil
Ubiquitin variant i53 mutant L67R bound to 53BP1 Tudor Domain
分子名称: Tumor protein p53 binding protein 1, Ubiquitin variant i53: mutant L67R
著者Holden, J.K, Partridge, J.R, Wibowo, A.S, Mulichak, A.
登録日2023-05-16
公開日2024-03-27
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.16 Å)
主引用文献Functional screening in human HSPCs identifies optimized protein-based enhancers of Homology Directed Repair.
Nat Commun, 15, 2024
3EZR
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BU of 3ezr by Molmil
CDK-2 with indazole inhibitor 17 bound at its active site
分子名称: 3-methoxy-4-{3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl}aniline, Cell division protein kinase 2
著者Kiefer, J.R, Day, J.E, Caspers, N.L, Mathis, K.J, Kretzmer, K.K, Weinberg, R.A, Reitz, B.A, Stegeman, R.A, Trujillo, J.I, Huang, W, Thorarensen, A, Xing, L, Wrightstone, A, Christine, L, Compton, R, Li, X.
登録日2008-10-23
公開日2009-02-03
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献2-(6-Phenyl-1H-indazol-3-yl)-1H-benzo[d]imidazoles: Design and synthesis of a potent and isoform selective PKC-zeta inhibitor
Bioorg.Med.Chem.Lett., 19, 2009

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