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5QKI
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BU of 5qki by Molmil
Group deposition of library data - Crystal Structure of EcDsbA after initial refinement with no ligand modelled (structure A2_2)
Descriptor: Thiol:disulfide interchange protein
Authors:Ilyichova, O.V, Bentley, M.R, Doak, B.C, Scanlon, M.J.
Deposit date:2019-01-27
Release date:2020-02-05
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.304 Å)
Cite:Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX).
J.Med.Chem., 63, 2020
5QKH
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BU of 5qkh by Molmil
Group deposition of library data - Crystal Structure of EcDsbA after initial refinement with no ligand modelled (structure A2_1)
Descriptor: Thiol:disulfide interchange protein
Authors:Ilyichova, O.V, Bentley, M.R, Doak, B.C, Scanlon, M.J.
Deposit date:2019-01-27
Release date:2020-02-05
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.654 Å)
Cite:Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX).
J.Med.Chem., 63, 2020
4GRM
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BU of 4grm by Molmil
The crystal structure of the high affinity TCR A6
Descriptor: A6 alpha chain, A6 beta chain
Authors:Borbulevych, O.Y, Scott, D.R, Baker, B.M.
Deposit date:2012-08-25
Release date:2013-07-10
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Increased Peptide Contacts Govern High Affinity Binding of a Modified TCR Whilst Maintaining a Native pMHC Docking Mode.
Front Immunol, 4, 2013
4HG9
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BU of 4hg9 by Molmil
Crystal structure of AhV_bPA, a basic PLA2 from Agkistrodon halys pallas venom
Descriptor: Basic phospholipase A2 B, CALCIUM ION, CITRIC ACID, ...
Authors:Zeng, F, Niu, L, Li, X, Teng, M.
Deposit date:2012-10-07
Release date:2012-10-17
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of AhV_bPA, a basic PLA2 from Agkistrodon halys pallas venom
TO BE PUBLISHED
2I40
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BU of 2i40 by Molmil
Cdk2/Cyclin A complexed with a thiophene carboxamide inhibitor
Descriptor: 5-[5,6-BIS(METHYLOXY)-1H-BENZIMIDAZOL-1-YL]-3-{[1-(2-CHLOROPHENYL)ETHYL]OXY}-2-THIOPHENECARBOXAMIDE, Cell division protein kinase 2, Cyclin-A2
Authors:Shewchuk, L.M.
Deposit date:2006-08-21
Release date:2006-10-10
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:5-(1H-Benzimidazol-1-yl)-3-alkoxy-2-thiophenecarbonitriles as potent, selective, inhibitors of IKK-epsilon kinase
Bioorg.Med.Chem.Lett., 16, 2006
3MBW
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BU of 3mbw by Molmil
Crystal structure of the human ephrin A2 LBD and CRD domains in complex with ephrin A1
Descriptor: Ephrin type-A receptor 2, Ephrin-A1, UNKNOWN ATOM OR ION, ...
Authors:Walker, J.R, Yermekbayeva, L, Seitova, A, Butler-Cole, C, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
Deposit date:2010-03-26
Release date:2010-06-09
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Architecture of Eph receptor clusters.
Proc.Natl.Acad.Sci.USA, 107, 2010
3MYJ
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BU of 3myj by Molmil
Human Class I MHC HLA-A2 in complex with the WT-1 (126-134) (R1Y) peptide variant.
Descriptor: Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ...
Authors:Borbulevych, O.Y, Baker, B.M.
Deposit date:2010-05-10
Release date:2010-08-18
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Structures of native and affinity-enhanced WT1 epitopes bound to HLA-A*0201: Implications for WT1-based cancer therapeutics.
Mol.Immunol., 47, 2010
3VFJ
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BU of 3vfj by Molmil
The structure of monodechloro-teicoplanin in complex with its ligand, using MBP as a ligand carrier
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-amino-2-deoxy-beta-D-glucopyranose, 8-METHYLNONANOIC ACID, ...
Authors:Economou, N.J, Weeks, S.D, Grasty, K.C, Loll, P.J.
Deposit date:2012-01-09
Release date:2013-01-09
Last modified:2025-03-26
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structure of the complex between teicoplanin and a bacterial cell-wall peptide: use of a carrier-protein approach.
Acta Crystallogr.,Sect.D, 69, 2013
3VFK
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BU of 3vfk by Molmil
The structure of monodechloro-teicoplanin in complex with its ligand, using ubiquitin as a ligand carrier
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-amino-2-deoxy-beta-D-glucopyranose, 8-METHYLNONANOIC ACID, ...
Authors:Economou, N.J, Weeks, S.D, Grasty, K.C, Loll, P.J.
Deposit date:2012-01-09
Release date:2013-01-09
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of the complex between teicoplanin and a bacterial cell-wall peptide: use of a carrier-protein approach.
Acta Crystallogr.,Sect.D, 69, 2013
3R0L
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BU of 3r0l by Molmil
Crystal structure of crotoxin
Descriptor: ACETATE ION, CHLORIDE ION, Crotoxin chain A, ...
Authors:Saul, F.A, Faure, G.
Deposit date:2011-03-08
Release date:2011-10-12
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Crystal Structure of Crotoxin Reveals Key Residues Involved in the Stability and Toxicity of This Potent Heterodimeric Beta-Neurotoxin
J.Mol.Biol., 412, 2011
5CYI
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BU of 5cyi by Molmil
CDK2/Cyclin A covalent complex with 6-(cyclohexylmethoxy)-N-(4-(vinylsulfonyl)phenyl)-9H-purin-2-amine (NU6300)
Descriptor: 6-(cyclohexylmethoxy)-N-[4-(ethylsulfonyl)phenyl]-9H-purin-2-amine, Cyclin-A2, Cyclin-dependent kinase 2
Authors:Anscombe, E, Meschini, E, Vidal, R.M, Martin, M.P, Staunton, D, Geitmann, M, Danielson, U.H, Stanley, W.A, Wang, L.Z, Reuillon, T, Golding, B.T, Cano, C, Newell, D.R, Noble, M.E.M, Wedge, S.R, Endicott, J.A, Griffin, R.J.
Deposit date:2015-07-30
Release date:2015-09-16
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Identification and Characterization of an Irreversible Inhibitor of CDK2.
Chem.Biol., 22, 2015
8BZO
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BU of 8bzo by Molmil
Cryo-EM structure of CDK2-CyclinA in complex with p27 from the SCFSKP2 E3 ligase Complex
Descriptor: Cyclin-A2, Cyclin-dependent kinase 2, Cyclin-dependent kinase inhibitor 1B
Authors:Rowland, R.J, Salamina, M, Endicott, J.A, Noble, M.E.
Deposit date:2022-12-15
Release date:2023-06-28
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Cryo-EM structure of SKP1-SKP2-CKS1 in complex with CDK2-cyclin A-p27KIP1.
Sci Rep, 13, 2023
8BYA
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BU of 8bya by Molmil
Cryo-EM structure of SKP1-SKP2-CKS1-CDK2-CyclinA-p27KIP1 Complex
Descriptor: Cyclin-A2, Cyclin-dependent kinase 2, Cyclin-dependent kinase inhibitor 1B, ...
Authors:Rowland, R.J, Salamina, M, Endicott, J.A, Noble, M.E.
Deposit date:2022-12-12
Release date:2023-06-28
Last modified:2024-11-20
Method:ELECTRON MICROSCOPY (3.38 Å)
Cite:Cryo-EM structure of SKP1-SKP2-CKS1 in complex with CDK2-cyclin A-p27KIP1.
Sci Rep, 13, 2023
7LYE
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BU of 7lye by Molmil
Myotoxin I from Bothrops moojeni co-crystallized with synthetic inhibitor Varespladib (LY315920)
Descriptor: ({3-[amino(oxo)acetyl]-1-benzyl-2-ethyl-1H-indol-4-yl}oxy)acetic acid, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Basic phospholipase A2 homolog BomoTx
Authors:Salvador, G.H.M, Borges, R.J, Fontes, M.R.M.
Deposit date:2021-03-06
Release date:2021-05-19
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.758 Å)
Cite:The synthetic varespladib molecule is a multi-functional inhibitor for PLA 2 and PLA 2 -like ophidic toxins.
Biochim Biophys Acta Gen Subj, 1865, 2021
3HPJ
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BU of 3hpj by Molmil
Human Class I MHC HLA-A2 in complex with the WT-1 (126-134) peptide
Descriptor: Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ...
Authors:Borbulevych, O.Y, Baker, B.M.
Deposit date:2009-06-04
Release date:2010-06-23
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structures of native and affinity-enhanced WT1 epitopes bound to HLA-A*0201: Implications for WT1-based cancer therapeutics.
Mol.Immunol., 47, 2010
7M6C
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BU of 7m6c by Molmil
Crystal structure of PLA2 from snake venom of peruvian Bothrops atrox
Descriptor: Basic phospholipase A2, LAURIC ACID
Authors:Leonardo, D.A, Chojnowski, G, Simpkin, A, Seifert-Davila, W, Vivas-Ruiz, D.E, Keegan, R, Rigden, D.
Deposit date:2021-03-25
Release date:2022-01-12
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:findMySequence: a neural-network-based approach for identification of unknown proteins in X-ray crystallography and cryo-EM
Iucrj, 9, 2022
7Y5E
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BU of 7y5e by Molmil
In situ single-PBS-PSII-PSI-LHCs megacomplex.
Descriptor: (1R,2S)-4-{(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4S)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl}-2,5,5-trimethylcyclohex-3-en-1-ol, (2S)-2,3-dihydroxypropyl octadecanoate, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ...
Authors:You, X, Zhang, X, Cheng, J, Xiao, Y.N, Sui, S.F.
Deposit date:2022-06-17
Release date:2023-02-01
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:In situ structure of the red algal phycobilisome-PSII-PSI-LHC megacomplex.
Nature, 616, 2023
7ZQD
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BU of 7zqd by Molmil
Dimeric PSI of Chlamydomonas reinhardtii at 2.97 A resolution
Descriptor: (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ...
Authors:Naschberger, A, Amunts, A.
Deposit date:2022-04-29
Release date:2022-11-23
Method:ELECTRON MICROSCOPY (2.97 Å)
Cite:Algal photosystem I dimer and high-resolution model of PSI-plastocyanin complex.
Nat.Plants, 8, 2022
6K33
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BU of 6k33 by Molmil
Structure of PSI-isiA supercomplex from Thermosynechococcus vulcanus
Descriptor: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ...
Authors:Akita, F, Nagao, R, Kato, K, Shen, J.R, Miyazaki, N.
Deposit date:2019-05-16
Release date:2020-05-20
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (2.74 Å)
Cite:Structure of a cyanobacterial photosystem I surrounded by octadecameric IsiA antenna proteins.
Commun Biol, 3, 2020
2QHD
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BU of 2qhd by Molmil
Crystal structure of ecarpholin S (ser49-PLA2) complexed with fatty acid
Descriptor: LAURIC ACID, Phospholipase A2
Authors:Zhou, X, Tan, T.C, Valiyaveettil, S, Go, M.L, Kini, R.M, Sivaraman, J.
Deposit date:2007-07-02
Release date:2007-10-16
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural Characterization of Myotoxic Ecarpholin S from Echis carinatus Venom
Biophys.J., 95, 2008
2QHE
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BU of 2qhe by Molmil
Crystal structure of Ser49-PLA2 (ecarpholin S) from Echis carinatus sochureki snake venom
Descriptor: Phospholipase A2
Authors:Zhou, X, Valiyaveettil, S, Go, M.L, Kini, R.M, Sivaraman, J.
Deposit date:2007-07-02
Release date:2007-10-16
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Characterization of Myotoxic Ecarpholin S from Echis carinatus Venom
Biophys.J., 95, 2008
3O3D
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BU of 3o3d by Molmil
Human Class I MHC HLA-A2 in complex with the Peptidomimetic ELA-2
Descriptor: Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ...
Authors:Borbulevych, O.Y, Baker, B.M.
Deposit date:2010-07-23
Release date:2010-12-08
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structures of HLA-A*0201 complexed with Melan-A/MART-1(26(27L)-35) peptidomimetics reveal conformational heterogeneity and highlight degeneracy of T cell recognition.
J.Med.Chem., 53, 2010
6AUN
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BU of 6aun by Molmil
calcium-independent phospholipase A2 beta
Descriptor: PLA2G6, iPLA2beta
Authors:Malley, K, Koroleva, O, Miller, I, Sanishvili, R, Jenkins, C.M, Gross, R.W, Korolev, S.
Deposit date:2017-09-01
Release date:2018-03-07
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3.951 Å)
Cite:The structure of iPLA2beta reveals dimeric active sites and suggests mechanisms of regulation and localization.
Nat Commun, 9, 2018
3O3A
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BU of 3o3a by Molmil
Human Class I MHC HLA-A2 in complex with the Peptidomimetic ELA-1
Descriptor: Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ...
Authors:Borbulevych, O.Y, Baker, B.M.
Deposit date:2010-07-23
Release date:2010-12-08
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structures of HLA-A*0201 complexed with Melan-A/MART-1(26(27L)-35) peptidomimetics reveal conformational heterogeneity and highlight degeneracy of T cell recognition.
J.Med.Chem., 53, 2010
1MG6
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BU of 1mg6 by Molmil
The Crystal Structure of a K49 PLA2 from the Snake Venom of Agkistrodon acutus
Descriptor: PHOSPHOLIPASE A2
Authors:Huang, Q, Teng, M, Niu, L.
Deposit date:2002-08-14
Release date:2002-09-04
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The Crystal Structure of a K49 PLA2 from the Snake Venom of Agkistrodon acutus
TO BE PUBLISHED

238582

數據於2025-07-09公開中

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