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6SAK
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BU of 6sak by Molmil
Structure of the OTULINcat C129A - SNX27 PDZ domain complex.
Descriptor: GLYCEROL, SULFATE ION, Sorting nexin-27, ...
Authors:Elliott, P.R, Komander, D.
Deposit date:2019-07-17
Release date:2019-10-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Regulation of the endosomal SNX27-retromer by OTULIN.
Nat Commun, 10, 2019
5NNN
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BU of 5nnn by Molmil
Aspartate transcarbamoylase from Chaetomium thermophilum CAD-like
Descriptor: GLYCEROL, ctATC
Authors:Moreno-Morcillo, M, Grande-Garcia, A, Ramon-Maiques, S.
Deposit date:2017-04-10
Release date:2017-06-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Structural Insight into the Core of CAD, the Multifunctional Protein Leading De Novo Pyrimidine Biosynthesis.
Structure, 25, 2017
5NQ0
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BU of 5nq0 by Molmil
Porcine (Sus scrofa) Major Histocompatibility Complex, class I, presenting DFEREGYSL
Descriptor: 1,2-ETHANEDIOL, ASP-PHE-GLU-ARG-GLU-GLY-TYR-SER-LEU, Beta-2-microglobulin, ...
Authors:Rizkallah, P.J, Tungatt, K, Sewell, A.K.
Deposit date:2017-04-19
Release date:2018-04-25
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Induction of influenza-specific local CD8 T-cells in the respiratory tract after aerosol delivery of vaccine antigen or virus in the Babraham inbred pig.
Plos Pathog., 14, 2018
6S96
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BU of 6s96 by Molmil
Crystal structure of the catalytic domain of UBE2S C118A.
Descriptor: FORMIC ACID, SODIUM ION, Ubiquitin-conjugating enzyme E2 S
Authors:Liess, A.K.L, Lorenz, S.
Deposit date:2019-07-11
Release date:2020-10-21
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Dimerization regulates the human APC/C-associated ubiquitin-conjugating enzyme UBE2S.
Sci.Signal., 13, 2020
6S9F
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BU of 6s9f by Molmil
Drosophila OTK, extracellular domains 3-5
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, SULFATE ION, Tyrosine-protein kinase-like otk
Authors:Rozbesky, D, Jones, E.Y.
Deposit date:2019-07-12
Release date:2020-03-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.969 Å)
Cite:Drosophila OTK Is a Glycosaminoglycan-Binding Protein with High Conformational Flexibility.
Structure, 28, 2020
5NQM
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BU of 5nqm by Molmil
CU(I)-CSP3 (COPPER STORAGE PROTEIN 3) FROM METHYLOSINUS
Descriptor: COPPER (I) ION, CSP3, SODIUM ION
Authors:Basle, A, Platsaki, S, Dennison, C.
Deposit date:2017-04-20
Release date:2017-05-31
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Visualizing Biological Copper Storage: The Importance of Thiolate-Coordinated Tetranuclear Clusters.
Angew. Chem. Int. Ed. Engl., 56, 2017
6SC9
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BU of 6sc9 by Molmil
dAb3/HOIP-RBR-HOIPIN-8
Descriptor: 2-[3-[2,6-bis(fluoranyl)-4-(1~{H}-pyrazol-4-yl)phenyl]-3-oxidanylidene-prop-1-enyl]-4-(1-methylpyrazol-4-yl)benzoic acid, CHLORIDE ION, E3 ubiquitin-protein ligase RNF31, ...
Authors:Tsai, Y.-C.I, Johansson, H, House, D, Rittinger, K.
Deposit date:2019-07-23
Release date:2019-11-27
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:Single-Domain Antibodies as Crystallization Chaperones to Enable Structure-Based Inhibitor Development for RBR E3 Ubiquitin Ligases.
Cell Chem Biol, 27, 2020
5OBZ
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BU of 5obz by Molmil
low resolution structure of the p34ct/p44ct minimal complex
Descriptor: Putative transcription factor, ZINC ION
Authors:Schoenwetter, E, Koelmel, W, Schmitt, D.R, Kuper, J, Kisker, C.
Deposit date:2017-06-29
Release date:2017-10-18
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:The intricate network between the p34 and p44 subunits is central to the activity of the transcription/DNA repair factor TFIIH.
Nucleic Acids Res., 45, 2017
6SFI
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BU of 6sfi by Molmil
Crystal structure of p38 alpha in complex with compound 75 (MCP33)
Descriptor: Mitogen-activated protein kinase 14, ~{N}-[(2~{S})-1-azanyl-4-cyclohexyl-1-oxidanylidene-butan-2-yl]-2-[[[1-(2-methylphenyl)pyrazol-4-yl]carbonylamino]methyl]-1,3-thiazole-5-carboxamide
Authors:Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2019-08-01
Release date:2019-09-11
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Fast Iterative Synthetic Approach toward Identification of Novel Highly Selective p38 MAP Kinase Inhibitors.
J.Med.Chem., 62, 2019
5OCC
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BU of 5occ by Molmil
Crystal structure of CD32b (Fc Gamma Receptor IIb) in complex with Human IgG1 Fab fragment (6G08)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 6G08 Fab Light Chain, ...
Authors:Tews, I, Orr, C.
Deposit date:2017-06-30
Release date:2018-07-25
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Evaluating Anti-CD32b F(ab) Conformation Using Molecular Dynamics and Small-Angle X-Ray Scattering.
Biophys. J., 115, 2018
5NZ1
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BU of 5nz1 by Molmil
Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with sutezolid
Descriptor: HTH-type transcriptional regulator EthR, ~{N}-[[(5~{S})-3-(3-fluoranyl-4-thiomorpholin-4-yl-phenyl)-2-oxidanylidene-1,3-oxazolidin-5-yl]methyl]ethanamide
Authors:Mendes, V, Blaszczyk, M, Nikiforov, P.O, Blundell, T.L.
Deposit date:2017-05-12
Release date:2018-05-30
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:The antibiotics linezolid and sutezolid are ligands for Mycobacterium tuberculosis EthR
To Be Published
5O08
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BU of 5o08 by Molmil
Crystal structure of Phosphopantetheine adenylyltransferase from Mycobacterium abcessus in complex with Dephospho-coenzyme A
Descriptor: 1,2-ETHANEDIOL, DEPHOSPHO COENZYME A, Phosphopantetheine adenylyltransferase
Authors:Thomas, S.E, Kim, S.Y, Mendes, V, Blaszczyk, M, Blundell, T.L.
Deposit date:2017-05-16
Release date:2017-06-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.552 Å)
Cite:Structural Biology and the Design of New Therapeutics: From HIV and Cancer to Mycobacterial Infections: A Paper Dedicated to John Kendrew.
J. Mol. Biol., 429, 2017
5O0D
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BU of 5o0d by Molmil
Crystal structure of Phosphopantetheine adenylyltransferase from Mycobacterium abcessus in complex with 3-Phenoxymandelic acid (Fragment 4)
Descriptor: (2~{S})-2-oxidanyl-2-(3-phenoxyphenyl)ethanoic acid, Phosphopantetheine adenylyltransferase
Authors:Thomas, S.E, Kim, S.Y, Mendes, V, Blaszczyk, M, Blundell, T.L.
Deposit date:2017-05-16
Release date:2017-06-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.539 Å)
Cite:Structural Biology and the Design of New Therapeutics: From HIV and Cancer to Mycobacterial Infections: A Paper Dedicated to John Kendrew.
J. Mol. Biol., 429, 2017
5O0S
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BU of 5o0s by Molmil
Crystal structure of txGH116 (beta-glucosidase from Thermoanaerobacterium xylolyticum) in complex with unreacted beta Cyclophellitol Cyclosulfate probe ME711
Descriptor: (3~{a}~{S},4~{R},5~{S},6~{R},7~{R},7~{a}~{R})-7-(hydroxymethyl)-2,2-bis(oxidanylidene)-3~{a},4,5,6,7,7~{a}-hexahydrobenzo[d][1,3,2]dioxathiole-4,5,6-triol, 1,2-ETHANEDIOL, CALCIUM ION, ...
Authors:Wu, L, Offen, W.A, Breen, I.Z, Davies, G.J.
Deposit date:2017-05-16
Release date:2017-08-09
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.16 Å)
Cite:1,6-Cyclophellitol Cyclosulfates: A New Class of Irreversible Glycosidase Inhibitor.
ACS Cent Sci, 3, 2017
5NSC
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BU of 5nsc by Molmil
Fc DEKK heterodimer variant
Descriptor: Fc-III peptide, GLYCEROL, Putative uncharacterized protein DKFZp686C11235, ...
Authors:De Nardis, C, Hendriks, L.J.A, Poirier, E, Arvinte, T, Gros, P, Bakker, A.B.H, de Kruif, J.
Deposit date:2017-04-26
Release date:2017-07-05
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A new approach for generating bispecific antibodies based on a common light chain format and the stable architecture of human immunoglobulin G1.
J. Biol. Chem., 292, 2017
6SAO
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BU of 6sao by Molmil
Structural and functional characterisation of three novel fungal amylases with enhanced stability and pH tolerance
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranose, ...
Authors:Roth, C, Moroz, O.V, Turkenburg, J.P, Blagova, E, Waterman, J, Ariza, A, Ming, L, Tianqi, S, Andersen, C, Davies, G.J, Wilson, K.S.
Deposit date:2019-07-17
Release date:2019-10-23
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Structural and Functional Characterization of Three Novel Fungal Amylases with Enhanced Stability and pH Tolerance.
Int J Mol Sci, 20, 2019
5NT1
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BU of 5nt1 by Molmil
Complex of influenza A NS1 effector domain with TRIM25 coiled coil
Descriptor: E3 ubiquitin/ISG15 ligase TRIM25, Non-structural protein 1
Authors:Koliopoulos, M.G, Rittinger, K.
Deposit date:2017-04-27
Release date:2018-05-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.82 Å)
Cite:Molecular mechanism of influenza A NS1-mediated TRIM25 recognition and inhibition.
Nat Commun, 9, 2018
5NTH
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BU of 5nth by Molmil
Structure of Leucyl aminopeptidase from Leishmania major in complex with actinonin
Descriptor: ACTINONIN, BICARBONATE ION, MANGANESE (II) ION, ...
Authors:Timm, J, Wilson, K.
Deposit date:2017-04-27
Release date:2017-08-02
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Characterization of Acidic M17 Leucine Aminopeptidases from the TriTryps and Evaluation of Their Role in Nutrient Starvation inTrypanosoma brucei.
mSphere, 2, 2018
5NX2
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BU of 5nx2 by Molmil
Crystal structure of thermostabilised full-length GLP-1R in complex with a truncated peptide agonist at 3.7 A resolution
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glucagon-like peptide 1 receptor, ...
Authors:Rappas, M, Jazayeri, A, Brown, A.J.H, Kean, J, Errey, J.C, Robertson, N, Fiez-Vandal, C, Andrews, S.P, Congreve, M, Bortolato, A, Mason, J.S, Baig, A.H, Teobald, I, Dore, A.S, Weir, M, Cooke, R.M, Marshall, F.H.
Deposit date:2017-05-09
Release date:2017-06-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:Crystal structure of the GLP-1 receptor bound to a peptide agonist.
Nature, 546, 2017
6SF6
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BU of 6sf6 by Molmil
Crystal structure of the mAb 15A in complex with COMP-epitope P6
Descriptor: COMP-reactive monoclonal antibody 15A Fab fragment, heavy chain, light chain, ...
Authors:Dobritzsch, D, Ge, C, Holmdahl, R.
Deposit date:2019-08-01
Release date:2020-06-24
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Antibodies to cartilage oligomeric matrix protein in vivo are pathogenic and clinically relevant in rheumatoid arthritis
To Be Published
6SEM
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BU of 6sem by Molmil
Crystal Structure of Ancestral Flavin-containing monooxygenase (FMO) 2
Descriptor: Ancestral Flavin-containing monooxygenase (FMO) 2, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Nicoll, C, Bailleul, G, Fiorentini, F, Mascotti, M.L, Fraaije, M, Mattevi, A.
Deposit date:2019-07-30
Release date:2019-12-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Ancestral-sequence reconstruction unveils the structural basis of function in mammalian FMOs.
Nat.Struct.Mol.Biol., 27, 2020
6SFJ
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BU of 6sfj by Molmil
Crystal structure of p38 alpha in complex with compound 77 (MCP41)
Descriptor: Mitogen-activated protein kinase 14, ~{N}-[5-[[(2~{S})-1-azanyl-4-cyclohexyl-1-oxidanylidene-butan-2-yl]carbamoyl]-2-methyl-phenyl]-1-(2-methylphenyl)pyrazole-4-carboxamide
Authors:Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2019-08-01
Release date:2019-09-11
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Fast Iterative Synthetic Approach toward Identification of Novel Highly Selective p38 MAP Kinase Inhibitors.
J.Med.Chem., 62, 2019
6SG2
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BU of 6sg2 by Molmil
FeFe Hydrogenase from Desulfovibrio desulfuricans in Hinact state
Descriptor: HydB, IRON/SULFUR CLUSTER, Periplasmic [Fe] hydrogenase large subunit, ...
Authors:Galle, L.M, Span, I.
Deposit date:2019-08-02
Release date:2020-07-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Caught in the H inact : Crystal Structure and Spectroscopy Reveal a Sulfur Bound to the Active Site of an O 2 -stable State of [FeFe] Hydrogenase.
Angew.Chem.Int.Ed.Engl., 59, 2020
5NUN
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BU of 5nun by Molmil
Engineered beta-lactoglobulin: variant F105L-L39A-M107F in complex with chlorpromazine (LG-LAF-CLP)
Descriptor: 3-(2-chloro-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-amine, Beta-lactoglobulin
Authors:Loch, J.I, Bonarek, P, Towrzydlo, M, Lazinskia, I, Szydlowska, J, Lewinski, K.
Deposit date:2017-04-30
Release date:2018-04-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:The engineered beta-lactoglobulin with complementarity to the chlorpromazine chiral conformers.
Int. J. Biol. Macromol., 114, 2018
5O2U
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BU of 5o2u by Molmil
Llama VHH in complex with p24
Descriptor: Capsid protein p24, VHH 59H10
Authors:Caillat, C, Verrips, T, Weissenhorn, W.
Deposit date:2017-05-22
Release date:2017-06-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.76 Å)
Cite:Unravelling the Molecular Basis of High Affinity Nanobodies against HIV p24: In Vitro Functional, Structural, and in Silico Insights.
ACS Infect Dis, 3, 2017

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數據於2024-11-06公開中

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