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PDB: 89774 results

5P7X
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BU of 5p7x by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 330
Descriptor: endothiapepsin
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2016-06-28
Release date:2016-08-03
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.469 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P8C
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BU of 5p8c by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 345
Descriptor: endothiapepsin
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2016-06-28
Release date:2016-08-03
Last modified:2021-11-17
Method:X-RAY DIFFRACTION (1.299 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P8P
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BU of 5p8p by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 358
Descriptor: endothiapepsin
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2016-06-28
Release date:2016-08-03
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.219 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5APK
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BU of 5apk by Molmil
Ligand complex of RORg LBD
Descriptor: 2-CHLORO-6-FLUORO-N-[4-[3-(TRIFLUOROMETHYL)PHENYL]SULFONYL-3,5-DIHYDRO-2H-1,4-BENZOXAZEPIN-7-YL]BENZAMIDE, NUCLEAR RECEPTOR ROR-GAMMA
Authors:Xue, Y, Aagaard, A, Narjes, F.
Deposit date:2015-09-16
Release date:2015-11-25
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Benzoxazepines Achieve Potent Suppression of IL-17 Release in Human T-Helper 17 (TH 17) Cells through an Induced-Fit Binding Mode to the Nuclear Receptor ROR gamma.
ChemMedChem, 11, 2016
3NJF
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BU of 3njf by Molmil
Y26F mutant of SO1698 protein, an aspartic peptidase from Shewanella oneidensis
Descriptor: Peptidase
Authors:Osipiuk, J, Mulligan, R, Bargassa, M, Collart, F, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2010-06-17
Release date:2010-07-07
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:Characterization of member of DUF1888 protein family, self-cleaving and self-assembling endopeptidase.
J.Biol.Chem., 287, 2012
3NJN
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BU of 3njn by Molmil
Q118A mutant of SO1698 protein, an aspartic peptidase from Shewanella oneidensis
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, Peptidase
Authors:Osipiuk, J, Mulligan, R, Bargassa, M, Collart, F, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2010-06-17
Release date:2010-07-21
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Characterization of member of DUF1888 protein family, self-cleaving and self-assembling endopeptidase.
J.Biol.Chem., 287, 2012
4CU6
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BU of 4cu6 by Molmil
Unravelling the multiple functions of the architecturally intricate Streptococcus pneumoniae beta-galactosidase, BgaA
Descriptor: 1,2-ETHANEDIOL, BETA-GALACTOSIDASE, SULFATE ION
Authors:Singh, A.K, Pluvinage, B, Higgins, M.A, Dalia, A.B, Flynn, M, Lloyd, A.R, Weiser, J.N, Stubbs, K.A, Boraston, A.B, King, S.J.
Deposit date:2014-03-17
Release date:2014-08-20
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Unravelling the Multiple Functions of the Architecturally Intricate Streptococcus Pneumoniae Beta-Galactosidase, Bgaa.
Plos Pathog., 10, 2014
6QZ8
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BU of 6qz8 by Molmil
Structure of Mcl-1 in complex with compound 10d
Descriptor: (2~{R})-2-[5-(3-chloranyl-2-methyl-4-oxidanyl-phenyl)-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]oxy-3-phenyl-propanoic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
Authors:Dokurno, P, Szlavik, Z, Ondi, L, Csekei, M, Paczal, A, Szabo, Z.B, Radics, G, Murray, J, Davidson, J, Chen, I, Davis, B, Hubbard, R.E, Pedder, C, Surgenor, A.E, Smith, J, Robertson, A, LeToumelin-Braizat, G, Cauquil, N, Zarka, M, Demarles, D, Perron-Sierra, F, Geneste, O, Kotschy, A.
Deposit date:2019-03-11
Release date:2019-08-07
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structure-Guided Discovery of a Selective Mcl-1 Inhibitor with Cellular Activity.
J.Med.Chem., 62, 2019
5OZM
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BU of 5ozm by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 33
Descriptor: endothiapepsin
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2016-06-28
Release date:2016-08-03
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.487 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P00
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BU of 5p00 by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 47
Descriptor: endothiapepsin
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2016-06-28
Release date:2016-08-03
Last modified:2021-11-17
Method:X-RAY DIFFRACTION (1.508 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
7SBG
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BU of 7sbg by Molmil
Murine Fab/IgE in complex with profilin from Hevea brasieliensis (Hev b 8)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Fab/IgE Heavy chain, Fab/IgE Light chain, ...
Authors:Rodriguez-Romero, A, Garcia-Ramirez, B.
Deposit date:2021-09-24
Release date:2022-08-10
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (3.34 Å)
Cite:A native IgE in complex with profilin provides insights into allergen recognition and cross-reactivity.
Commun Biol, 5, 2022
2DFL
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BU of 2dfl by Molmil
Crystal structure of left-handed RadA filament
Descriptor: DNA repair and recombination protein radA
Authors:Chen, L.T, Ko, T.P, Wang, T.F, Wang, A.H.J.
Deposit date:2006-03-02
Release date:2007-01-23
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structure of the left-handed archaeal RadA helical filament: identification of a functional motif for controlling quaternary structures and enzymatic functions of RecA family proteins
Nucleic Acids Res., 35, 2007
6QMR
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BU of 6qmr by Molmil
Complement factor D in complex with the inhibitor (S)-2-(2-((3'-(1-amino-2-hydroxyethyl)-[1,1'-biphenyl]-3-yl)methoxy)phenyl)acetic acid
Descriptor: 2-[2-[[3-[3-[(1~{S})-1-azanyl-2-oxidanyl-ethyl]phenyl]phenyl]methoxy]phenyl]ethanoic acid, Complement factor D
Authors:Karki, R, Powers, J, Mainolfi, N, Anderson, K, Belanger, D, Liu, D, Jendza, K, Gelin, C.F, Solovay, C, Mac Sweeeny, A, Delgado, O, Crowley, M, Liao, S.-M, Argikar, U.A, Flohr, S, La Bonte, L.R, Lorthiois, E.L, Vulpetti, A, Cumin, F, Brown, A, Adams, C, Jaffee, B, Mogi, M.
Deposit date:2019-02-08
Release date:2019-04-24
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Design, Synthesis, and Preclinical Characterization of Selective Factor D Inhibitors Targeting the Alternative Complement Pathway.
J.Med.Chem., 62, 2019
5P0H
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BU of 5p0h by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 64
Descriptor: endothiapepsin
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2016-06-28
Release date:2016-08-03
Last modified:2021-11-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
6QZA
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BU of 6qza by Molmil
HLA-DR1 with GMF Influenza PB1 Peptide
Descriptor: HLA class II histocompatibility antigen, DR alpha chain, DRB1-1 beta chain, ...
Authors:Greenshields-Watson, A, Rizkallah, P.J.
Deposit date:2019-03-11
Release date:2020-07-15
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3.09 Å)
Cite:CD4+T Cells Recognize Conserved Influenza A Epitopes through Shared Patterns of V-Gene Usage and Complementary Biochemical Features.
Cell Rep, 32, 2020
7SBD
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BU of 7sbd by Molmil
Murine Fab/IgE in complex with profilin from Hevea brasieliensis (Hev b 8)
Descriptor: Fab/IgE Heavy chain, Fab/IgE Light chain, Profilin-2, ...
Authors:Rodriguez-Romero, A, Garcia-Ramirez, B.
Deposit date:2021-09-24
Release date:2022-08-10
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (3.04 Å)
Cite:A native IgE in complex with profilin provides insights into allergen recognition and cross-reactivity.
Commun Biol, 5, 2022
5P0T
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BU of 5p0t by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 76
Descriptor: endothiapepsin
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2016-06-28
Release date:2016-08-03
Last modified:2021-11-17
Method:X-RAY DIFFRACTION (1.129 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
8QB1
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BU of 8qb1 by Molmil
C-terminal domain of mirolase from Tannerella forsythia
Descriptor: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, Mirolase, ...
Authors:Gomis-Ruth, F.X, Rodriguez-Banqueri, A, Mizgalska, D, Veillard, F, Goulas, T, Eckhard, U, Potempa, J.
Deposit date:2023-08-23
Release date:2024-02-28
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.601 Å)
Cite:Structural and functional insights into the C-terminal signal domain of the Bacteroidetes type-IX secretion system.
Open Biology, 14, 2024
5P17
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BU of 5p17 by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 90
Descriptor: endothiapepsin
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2016-06-28
Release date:2016-08-03
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.399 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P1L
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BU of 5p1l by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 104
Descriptor: endothiapepsin
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2016-06-28
Release date:2016-08-03
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.249 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5OYT
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BU of 5oyt by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 4
Descriptor: endothiapepsin
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2016-06-28
Release date:2016-08-03
Last modified:2021-11-17
Method:X-RAY DIFFRACTION (1.589 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
6QOS
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BU of 6qos by Molmil
Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with Fragment 22 (Ethyl 1H-pyrazole-4-carboxylate)
Descriptor: SULFATE ION, ethyl 1~{H}-pyrazole-4-carboxylate, tRNA (guanine-N(1)-)-methyltransferase
Authors:Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L.
Deposit date:2019-02-12
Release date:2020-02-26
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.052 Å)
Cite:Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification.
Nucleic Acids Res., 48, 2020
5OZ2
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BU of 5oz2 by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 13
Descriptor: endothiapepsin
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2016-06-28
Release date:2016-08-03
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P20
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BU of 5p20 by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 119
Descriptor: endothiapepsin
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2016-06-28
Release date:2016-08-03
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.435 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
1U8T
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BU of 1u8t by Molmil
Crystal structure of CheY D13K Y106W alone and in complex with a FliM peptide
Descriptor: Chemotaxis protein cheY, Flagellar motor switch protein fliM, SULFATE ION
Authors:Dyer, C.M, Quillin, M.L, Campos, A, Lu, J, McEvoy, M.M, Hausrath, A.C, Westbrook, E.M, Matsumura, P, Matthews, B.W, Dahlquist, F.W.
Deposit date:2004-08-06
Release date:2004-10-05
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure of the Constitutively Active Double Mutant CheY(D13K Y106W) Alone and in Complex with a FliM Peptide
J.Mol.Biol., 342, 2004

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數據於2024-11-06公開中

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