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2C1S
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BU of 2c1s by Molmil
X-ray structure of biotin binding protein from chicken
Descriptor: BIOTIN BINDING PROTEIN A, BIOTIN-D-SULFOXIDE
Authors:Hytonen, V.P, Niskanen, E.A, Maatta, J.A.E, Huuskonen, J, Helttunen, K.J, Halling, K.K, Slotte, J.P, Nordlund, H.R, Rissanen, K, Johnson, M.S, Salminen, T.A, Kulomaa, M.S, Laitinen, O.H, Airenne, T.T.
Deposit date:2005-09-19
Release date:2007-02-13
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure and Characterization of a Novel Chicken Biotin-Binding Protein a (Bbp-A).
Bmc Struct.Biol., 7, 2007
5U2D
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BU of 5u2d by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in complex with Oxabicyclic Heptene Sulfonate (OBHS)
Descriptor: Estrogen receptor, Nuclear receptor coactivator 2, cyclohexa-2,5-dien-1-yl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate
Authors:Nwachukwu, J.C, Erumbi, R, Nowak, J, Carlson, K.E, Katzenellenbogen, J.A, Izard, T, Nettles, K.W.
Deposit date:2016-11-30
Release date:2017-04-05
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Structural and Molecular Mechanisms of Cytokine-Mediated Endocrine Resistance in Human Breast Cancer Cells.
Mol. Cell, 65, 2017
4BOL
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BU of 4bol by Molmil
Crystal structure of AmpDh2 from Pseudomonas aeruginosa in complex with pentapeptide
Descriptor: AMPDH2, D-alanyl-N-[(2S,6R)-6-amino-6-carboxy-1-{[(1R)-1-carboxyethyl]amino}-1-oxohexan-2-yl]-D-glutamine, ZINC ION
Authors:Artola-Recolons, C, Martinez-Caballero, S, Lee, M, Carrasco-Lopez, C, Hesek, D, Spink, E.E, Lastochkin, E, Zhang, W, Hellman, L.M, Boggess, B, Mobashery, S, Hermoso, J.A.
Deposit date:2013-05-21
Release date:2013-07-17
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Reaction Products and the X-Ray Structure of Ampdh2, a Virulence Determinant of Pseudomonas Aeruginosa.
J.Am.Chem.Soc., 135, 2013
6UWZ
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BU of 6uwz by Molmil
Cryo-EM structure of Torpedo acetylcholine receptor in complex with alpha-bungarotoxin
Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholine receptor subunit alpha, ...
Authors:Rahman, M.M, Teng, J, Worrell, B.T, Noveillo, C.M, Lee, M, Karlin, A, Stowell, M, Hibbs, R.E.
Deposit date:2019-11-06
Release date:2020-04-15
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (2.69 Å)
Cite:Structure of the Native Muscle-type Nicotinic Receptor and Inhibition by Snake Venom Toxins.
Neuron, 106, 2020
5C5O
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BU of 5c5o by Molmil
Structure of SARS-3CL protease complex with a phenyl-beta-alanyl (S,R)-N-decalin type inhibitor
Descriptor: (2S)-3-(1H-imidazol-5-yl)-2-({[(3S,4aR,8aS)-2-(N-phenyl-beta-alanyl)decahydroisoquinolin-3-yl]methyl}amino)propanal, 3C-like proteinase
Authors:Akaji, K, Teruya, K, Shimamoto, Y, Sanjho, A, Yamashita, E, Nakagawa, A.
Deposit date:2015-06-21
Release date:2016-06-22
Last modified:2020-01-29
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Fused-ring structure of N-decalin as a novel scaffold for SARS 3CL protease inhibitors
to be published
2J2J
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BU of 2j2j by Molmil
Canine adenovirus fibre head at 1.5 A resolution
Descriptor: FIBER PROTEIN
Authors:Seiradake, E, Lortat-Jacob, H, Billet, O, Kremer, E.J, Cusack, S.
Deposit date:2006-08-16
Release date:2006-09-18
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural and Mutational Analysis of Human Ad37 and Canine Adenovirus 2 Fiber Heads in Complex with the D1 Domain of Coxsackie and Adenovirus Receptor.
J.Biol.Chem., 281, 2006
2IZU
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BU of 2izu by Molmil
Structure of casein kinase gamma 3 in complex with inhibitor
Descriptor: 1,2-ETHANEDIOL, 2-({6-[(3-CHLOROPHENYL)AMINO]-9-ISOPROPYL-9H-PURIN-2-YL}AMINO)-3-METHYLBUTAN-1-OL, CASEIN KINASE I ISOFORM GAMMA-3, ...
Authors:Bunkoczi, G, Salah, E, Rellos, P, Das, S, Fedorov, O, Savitsky, P, Debreczeni, J.E, Gileadi, O, Sundstrom, M, Edwards, A, Arrowsmith, C, Weigelt, J, von Delft, F, Knapp, S.
Deposit date:2006-07-26
Release date:2006-08-01
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Inhibitor Binding by Casein Kinases
To be Published
2IXD
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BU of 2ixd by Molmil
Crystal structure of the putative deacetylase BC1534 from Bacillus cereus
Descriptor: ACETATE ION, LMBE-RELATED PROTEIN, ZINC ION
Authors:Fadouloglou, V.E, Bouriotis, V, Kokkinidis, M.
Deposit date:2006-07-07
Release date:2007-07-17
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure of the Bczbp, a Zinc-Binding Protein from Bacillus Cereus
FEBS J., 274, 2007
7AQX
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BU of 7aqx by Molmil
Co-Crystal Structure of Variant Surface Glycoprotein VSG2 in complex with Nanobody VSG2(NB9)
Descriptor: CITRIC ACID, Nanobody VSG2(NB9), SODIUM ION, ...
Authors:Stebbins, C.E, Hempelmann, A.
Deposit date:2020-10-23
Release date:2021-11-03
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.499 Å)
Cite:Nanobody-mediated macromolecular crowding induces membrane fission and remodeling in the African trypanosome.
Cell Rep, 37, 2021
6FAL
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BU of 6fal by Molmil
Tryptophan Repressor TrpR from E.coli with 3-Indolepropionic acid as ligand
Descriptor: INDOLYLPROPIONIC ACID, Trp operon repressor
Authors:Stiel, A.C, Shanmugaratnam, S, Hocker, B.
Deposit date:2017-12-15
Release date:2019-01-30
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Tryptophan Repressor TrpR from E.coli: A ligand binding study
To Be Published
3W6I
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BU of 3w6i by Molmil
Crystal structure of 19F probe-labeled hCAI
Descriptor: 1-(2-ethoxyethoxy)-3,5-bis(trifluoromethyl)benzene, Carbonic anhydrase 1, ZINC ION
Authors:Takaoka, Y, Kioi, Y, Morito, A, Otani, J, Arita, K, Ashihara, E, Ariyoshi, M, Tochio, H, Shirakawa, M, Hamachi, I.
Deposit date:2013-02-14
Release date:2013-03-13
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.693 Å)
Cite:Quantitative Comparison of Protein Dynamics in Live Cells and In Vitro by In-Cell 19F-NMR
To be published
8CYH
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BU of 8cyh by Molmil
Novel Anti-Mesothelin Antibodies Enable Crystallography of the Intact Mesothelin Ectodo- main and Engineering of Potent, T cell-engaging Bispecific Therapeutics
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, A12 antibody heavy chain, A12 antibody light chain, ...
Authors:Bandaranayake, A.D, Rupert, P.B, Lin, I, Pilat, K, Ruff, R.O, Friend, D.J, Chan, M.K, Clarke, M, Carter, J, Meshinchi, S, Mehlin, C, Olson, J.M, Strong, R.K, Correnti, C.E.
Deposit date:2022-05-23
Release date:2023-06-07
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.38 Å)
Cite:Novel mesothelin antibodies enable crystallography of the intact mesothelin ectodomain and engineering of potent, T cell-engaging bispecific therapeutics
Front. Drug Discov., 3, 2023
7AQY
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BU of 7aqy by Molmil
Co-Crystal Structure of Variant Surface Glycoprotein VSG2 in complex with Nanobody VSG2(NB11)
Descriptor: Nanobody VSG2(NB11), Variant surface glycoprotein MITAT 1.2, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Stebbins, C.E, Hempelmann, A, VanStraaten, M.
Deposit date:2020-10-23
Release date:2021-11-03
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Nanobody-mediated macromolecular crowding induces membrane fission and remodeling in the African trypanosome.
Cell Rep, 37, 2021
2IZT
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BU of 2izt by Molmil
Structure of casein kinase gamma 3 in complex with inhibitor
Descriptor: CASEIN KINASE I ISOFORM GAMMA-3, CHLORIDE ION, N2-[(1R,2S)-2-AMINOCYCLOHEXYL]-N6-(3-CHLOROPHENYL)-9-ETHYL-9H-PURINE-2,6-DIAMINE
Authors:Bunkoczi, G, Salah, E, Rellos, P, Das, S, Fedorov, O, Savitsky, P, Debreczeni, J.E, Gileadi, O, Sundstrom, M, Edwards, A, Arrowsmith, C, Weigelt, J, von Delft, F, Knapp, S.
Deposit date:2006-07-26
Release date:2006-08-01
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Inhibitor Binding by Casein Kinases
To be Published
2C9D
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BU of 2c9d by Molmil
Lumazine Synthase from Mycobacterium tuberculosis Bound to 3-(1,3,7- TRIHYDRO-9-D-RIBITYL-2,6,8-PURINETRIONE-7-YL)HEXANE 1-PHOSPHATE
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 3-(1,3,7-TRIHYDRO-9-D-RIBITYL-2,6,8-PURINETRIONE-7-YL ) HEXANE 1-PHOSPHATE, 6,7-DIMETHYL-8-RIBITYLLUMAZINE SYNTHASE, ...
Authors:Morgunova, E, Illarionov, B, Jin, G, Haase, I, Fischer, M, Cushman, M, Bacher, A, Ladenstein, R.
Deposit date:2005-12-09
Release date:2006-12-13
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural and Thermodynamic Insights Into the Binding Mode of Five Novel Inhibitors of Lumazine Synthase from Mycobacterium Tuberculosis.
FEBS J., 273, 2006
7B00
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BU of 7b00 by Molmil
Human LAT2-4F2hc complex in the apo-state
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Digitonin, Isoform 2 of 4F2 cell-surface antigen heavy chain, ...
Authors:Rodriguez, C.F, Escudero-Bravo, P, Garcia-Martin, C, Boskovic, J, Errasti-Murugarren, E, Palacin, M, Llorca, O.
Deposit date:2020-11-17
Release date:2021-10-27
Last modified:2022-02-23
Method:ELECTRON MICROSCOPY (3.98 Å)
Cite:Structural basis for substrate specificity of heteromeric transporters of neutral amino acids.
Proc Natl Acad Sci U S A, 118, 2021
7AQZ
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BU of 7aqz by Molmil
Co-Crystal Structure of Variant Surface Glycoprotein VSG2 in complex with Nanobody VSG2(NB14)
Descriptor: CITRIC ACID, Nanobody VSG2(NB14), SODIUM ION, ...
Authors:Stebbins, C.E, Hempelmann, A, VanStraaten, M.
Deposit date:2020-10-23
Release date:2021-11-03
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Nanobody-mediated macromolecular crowding induces membrane fission and remodeling in the African trypanosome.
Cell Rep, 37, 2021
6EYN
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BU of 6eyn by Molmil
Structure of the 8D6 (anti-IgE) Fab
Descriptor: 1,2-ETHANEDIOL, 8D6 Fab heavy chain, 8D6 Fab light chain, ...
Authors:Chen, J.B, Ramadani, F, Pang, M.O.Y, Beavil, R.L, Holdom, M.D, Mitropoulou, A.N, Beavil, A.J, Gould, H.J, Chang, T.W, Sutton, B.J, McDonnell, J.M, Davies, A.M.
Deposit date:2017-11-13
Release date:2018-08-15
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis for selective inhibition of immunoglobulin E-receptor interactions by an anti-IgE antibody.
Sci Rep, 8, 2018
7KQX
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BU of 7kqx by Molmil
MIF Y99C homotrimeric mutant
Descriptor: GLYCEROL, ISOPROPYL ALCOHOL, Macrophage migration inhibitory factor, ...
Authors:Manjula, R, Georgios, P, Lolis, E.J.
Deposit date:2020-11-18
Release date:2022-01-19
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:A Cysteine Variant at an Allosteric Site Alters MIF Dynamics and Biological Function in Homo- and Heterotrimeric Assemblies.
Front Mol Biosci, 9, 2022
5NVL
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BU of 5nvl by Molmil
Crystal structure of the human 4EHP-GIGYF2 complex
Descriptor: Eukaryotic translation initiation factor 4E type 2, GRB10-interacting GYF protein 2
Authors:Peter, D, Valkov, E.
Deposit date:2017-05-04
Release date:2017-07-26
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:GIGYF1/2 proteins use auxiliary sequences to selectively bind to 4EHP and repress target mRNA expression.
Genes Dev., 31, 2017
6F1W
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BU of 6f1w by Molmil
Crystal structure of human Casein Kinase I delta in complex with compound 31a
Descriptor: (9~{R},10~{R},11~{S})-~{N}-[4-[3-(4-fluorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]pyridin-2-yl]-4-(4-methoxyphenyl)-10,11-bis(oxidanyl)-1,7-diazatricyclo[7.3.0.0^{3,7}]dodeca-3,5-diene-6-carboxamide, Casein kinase I isoform delta, SULFATE ION
Authors:Pichlo, C, Brunstein, E, Baumann, U.
Deposit date:2017-11-23
Release date:2019-03-13
Method:X-RAY DIFFRACTION (1.864 Å)
Cite:Design, Synthesis and Biological Evaluation of Isoxazole-Based CK1 Inhibitors Modified with Chiral Pyrrolidine Scaffolds.
Molecules, 24, 2019
5CEA
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BU of 5cea by Molmil
Bd3460 Immunity Protein from Bdellovibrio bacteriovorus
Descriptor: Bd3460
Authors:Lovering, A.L, Cadby, I.T, Lambert, C, Sockett, R.E.
Deposit date:2015-07-06
Release date:2015-12-09
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Ankyrin-mediated self-protection during cell invasion by the bacterial predator Bdellovibrio bacteriovorus.
Nat Commun, 6, 2015
1SJM
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BU of 1sjm by Molmil
Nitrite bound copper containing nitrite reductase
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, COPPER (II) ION, ...
Authors:Tocheva, E.I, Rosell, F.I, Mauk, A.G, Murphy, M.E.P.
Deposit date:2004-03-03
Release date:2004-06-22
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Side-on copper-nitrosyl coordination by nitrite reductase.
Science, 304, 2004
5TM3
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BU of 5tm3 by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with 2,3-bis(2-chloro-4-hydroxyphenyl)thiophene 1-oxide
Descriptor: (1S)-2,3-bis(2-chloro-4-hydroxyphenyl)-1H-1lambda~4~-thiophen-1-one, Estrogen receptor, Nuclear receptor coactivator 2
Authors:Nwachukwu, J.C, Erumbi, R, Srinivasan, S, Bruno, N.E, Nowak, J, Izard, T, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W.
Deposit date:2016-10-12
Release date:2017-01-18
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.194 Å)
Cite:Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies.
Cell Chem Biol, 24, 2017
6V2U
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BU of 6v2u by Molmil
Crystal structure of the insect cell-expressed WT-BRAF kinase in complex with Dabrafenib
Descriptor: CHLORIDE ION, Dabrafenib, Serine/threonine-protein kinase B-raf
Authors:Li, K, Gonzalez Del-Pino, G, Park, E, Eck, M.J.
Deposit date:2019-11-25
Release date:2020-12-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.78 Å)
Cite:Crystal structure of the insect cell-expressed WT-BRAF kinase in complex with Dabrafenib
To Be Published

224004

数据于2024-08-21公开中

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