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9GL9
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BU of 9gl9 by Molmil
Wild-type EGFR bound with STX-721
Descriptor: (2R,3S)-3-[(3-chloranyl-2-methoxy-phenyl)amino]-2-[3-[2-[(2R)-1-[(E)-4-(dimethylamino)but-2-enoyl]-2-methyl-pyrrolidin-2-yl]ethynyl]pyridin-4-yl]-1,2,3,5,6,7-hexahydropyrrolo[3,2-c]pyridin-4-one, CHLORIDE ION, Epidermal growth factor receptor
Authors:Hilbert, B.J, Brooijmans, N, Milgram, B.C, Pagliarini, R.A.
Deposit date:2024-08-27
Release date:2025-05-14
Last modified:2025-06-11
Method:X-RAY DIFFRACTION (2.147 Å)
Cite:STX-721, a Covalent EGFR/HER2 Exon 20 Inhibitor, Utilizes Exon 20-Mutant Dynamic Protein States and Achieves Unique Mutant Selectivity Across Human Cancer Models.
Clin.Cancer Res., 2025
6GM7
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BU of 6gm7 by Molmil
[FeFe]-hydrogenase HydA1 from Chlamydomonas reinhardtii,variant E144A
Descriptor: CHLORIDE ION, Fe-hydrogenase, IRON/SULFUR CLUSTER
Authors:Duan, J, Engelbrecht, V, Esselborn, J, Hofmann, E, Winkler, M, Happe, T.
Deposit date:2018-05-24
Release date:2018-11-07
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Crystallographic and spectroscopic assignment of the proton transfer pathway in [FeFe]-hydrogenases.
Nat Commun, 9, 2018
8T87
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BU of 8t87 by Molmil
FphE, Staphylococcus aureus fluorophosphonate-binding serine hydrolases E, unbound dimer crystal form 1
Descriptor: Fluorophosphonate-binding serine hydrolase E, MAGNESIUM ION
Authors:Fellner, M.
Deposit date:2023-06-22
Release date:2024-03-06
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Development of Oxadiazolone Activity-Based Probes Targeting FphE for Specific Detection of Staphylococcus aureus Infections.
J.Am.Chem.Soc., 146, 2024
8T88
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BU of 8t88 by Molmil
FphE, Staphylococcus aureus fluorophosphonate-binding serine hydrolases E, Oxadiazolone JJ004 bound
Descriptor: Fluorophosphonate-binding serine hydrolase E, MAGNESIUM ION, methyl 2-formyl-2-[4-(undec-10-ynamido)phenyl]hydrazine-1-carboxylate
Authors:Fellner, M.
Deposit date:2023-06-22
Release date:2024-03-06
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Development of Oxadiazolone Activity-Based Probes Targeting FphE for Specific Detection of Staphylococcus aureus Infections.
J.Am.Chem.Soc., 146, 2024
6GHP
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BU of 6ghp by Molmil
14-3-3sigma in complex with a TASK3 peptide stabilized by semi-synthetic natural product FC-NAc
Descriptor: 14-3-3 protein sigma, CHLORIDE ION, Potassium channel subfamily K member 9, ...
Authors:Andrei, S.A, de Vink, P.J, Brunsveld, L, Ottmann, C, Higuchi, Y.
Deposit date:2018-05-08
Release date:2018-08-01
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Rationally Designed Semisynthetic Natural Product Analogues for Stabilization of 14-3-3 Protein-Protein Interactions.
Angew. Chem. Int. Ed. Engl., 57, 2018
8BUM
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BU of 8bum by Molmil
Structure of DDB1 bound to DS15-engaged CDK12-cyclin K
Descriptor: (2R)-2-[[6-(5-naphthalen-1-ylpentylamino)-9-propan-2-yl-purin-2-yl]amino]butan-1-ol, Cyclin-K, Cyclin-dependent kinase 12, ...
Authors:Kozicka, Z, Kempf, G, Petzold, G, Thoma, N.H.
Deposit date:2022-11-30
Release date:2023-09-20
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (3.36 Å)
Cite:Design principles for cyclin K molecular glue degraders.
Nat.Chem.Biol., 20, 2024
8BUN
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BU of 8bun by Molmil
Structure of DDB1 bound to DS16-engaged CDK12-cyclin K
Descriptor: (2~{R})-2-[[6-[(4-phenylphenyl)methylamino]-9-propan-2-yl-purin-2-yl]amino]butan-1-ol, Cyclin-K, Cyclin-dependent kinase 12, ...
Authors:Kozicka, Z, Kempf, G, Petzold, G, Thoma, N.H.
Deposit date:2022-11-30
Release date:2023-09-13
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (3.08 Å)
Cite:Design principles for cyclin K molecular glue degraders.
Nat.Chem.Biol., 20, 2024
1A8Z
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BU of 1a8z by Molmil
STRUCTURE DETERMINATION OF A 16.8KDA COPPER PROTEIN RUSTICYANIN AT 2.1A RESOLUTION USING ANOMALOUS SCATTERING DATA WITH DIRECT METHODS
Descriptor: COPPER (I) ION, RUSTICYANIN
Authors:Harvey, I, Hao, Q, Duke, E.M.H, Ingledew, W.J, Hasnain, S.S.
Deposit date:1998-03-30
Release date:1998-06-17
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure determination of a 16.8 kDa copper protein at 2.1 A resolution using anomalous scattering data with direct methods.
Acta Crystallogr.,Sect.D, 54, 1998
8BU4
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BU of 8bu4 by Molmil
Structure of DDB1 bound to DS22-engaged CDK12-cyclin K
Descriptor: (2~{R})-2-[[6-[[5,6-bis(chloranyl)-1~{H}-benzimidazol-2-yl]methylamino]-9-(1-methylpyrazol-4-yl)purin-2-yl]amino]butan-1-ol, Cyclin-K, Cyclin-dependent kinase 12, ...
Authors:Kozicka, Z, Kempf, G, Focht, V, Thoma, N.H.
Deposit date:2022-11-30
Release date:2023-09-13
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3.09 Å)
Cite:Design principles for cyclin K molecular glue degraders.
Nat.Chem.Biol., 20, 2024
8BUR
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BU of 8bur by Molmil
Structure of DDB1 bound to DS50-engaged CDK12-cyclin K
Descriptor: Cyclin-K, Cyclin-dependent kinase 12, DNA damage-binding protein 1, ...
Authors:Kozicka, Z, Kempf, G, Focht, V, Thoma, N.H.
Deposit date:2022-11-30
Release date:2023-09-13
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (3.64 Å)
Cite:Design principles for cyclin K molecular glue degraders.
Nat.Chem.Biol., 20, 2024
8BUF
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BU of 8buf by Molmil
Structure of DDB1 bound to Z12-engaged CDK12-cyclin K
Descriptor: 2-(6,7-dihydro-4~{H}-thieno[3,2-c]pyridin-5-ylmethyl)-6,7-dimethoxy-3~{H}-quinazolin-4-one, Cyclin-K, Cyclin-dependent kinase 12, ...
Authors:Kozicka, Z, Kempf, G, Petzold, G, Thoma, N.H.
Deposit date:2022-11-30
Release date:2023-09-13
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Design principles for cyclin K molecular glue degraders.
Nat.Chem.Biol., 20, 2024
8BU1
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BU of 8bu1 by Molmil
Structure of DDB1 bound to DS17-engaged CDK12-cyclin K
Descriptor: (2~{R})-2-[[6-[[5,6-bis(chloranyl)-1~{H}-benzimidazol-2-yl]methylamino]-9-(1-methylpyrazol-4-yl)purin-2-yl]amino]butan-1-ol, Cyclin-K, Cyclin-dependent kinase 12, ...
Authors:Kozicka, Z, Kempf, G, Petzold, G, Thoma, N.H.
Deposit date:2022-11-30
Release date:2023-09-13
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.98 Å)
Cite:Design principles for cyclin K molecular glue degraders.
Nat.Chem.Biol., 20, 2024
1ALK
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BU of 1alk by Molmil
REACTION MECHANISM OF ALKALINE PHOSPHATASE BASED ON CRYSTAL STRUCTURES. TWO METAL ION CATALYSIS
Descriptor: ALKALINE PHOSPHATASE, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Kim, E.E, Wyckoff, W.
Deposit date:1993-03-03
Release date:1994-01-31
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Reaction mechanism of alkaline phosphatase based on crystal structures. Two-metal ion catalysis.
J.Mol.Biol., 218, 1991
7AF8
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BU of 7af8 by Molmil
Bacterial 30S ribosomal subunit assembly complex state E (head domain)
Descriptor: 16SrRNA (head domain of the 30S ribosome, 30S ribosomal protein S10, 30S ribosomal protein S13, ...
Authors:Schedlbauer, A, Iturrioz, I, Ochoa-Lizarralde, B, Diercks, T, Lopez-Alonso, J, Kaminishi, T, Capuni, R, Astigarraga, E, Fucini, P, Connell, S.
Deposit date:2020-09-19
Release date:2021-07-07
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (2.75 Å)
Cite:A conserved rRNA switch is central to decoding site maturation on the small ribosomal subunit.
Sci Adv, 7, 2021
8FVU
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BU of 8fvu by Molmil
Cryo-EM structure of human Needle/NAIP/NLRC4 (R288A)
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Baculoviral IAP repeat-containing protein 1, Lethal factor,Type III secretion system protein, ...
Authors:Matico, R.E, Yu, X, Miller, R, Somani, S, Ricketts, M.D, Kumar, N, Steele, R.A, Medley, Q, Berger, S, Faustin, B, Sharma, S.
Deposit date:2023-01-19
Release date:2024-01-03
Last modified:2024-01-31
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structural basis of the human NAIP/NLRC4 inflammasome assembly and pathogen sensing.
Nat.Struct.Mol.Biol., 31, 2024
6MWR
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BU of 6mwr by Molmil
Recognition of MHC-like molecule
Descriptor: 1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol, 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, ...
Authors:Le Nours, J, Rossjohn, J.
Deposit date:2018-10-30
Release date:2019-12-18
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:A class of gamma delta T cell receptors recognize the underside of the antigen-presenting molecule MR1.
Science, 366, 2019
3F84
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BU of 3f84 by Molmil
Structure of fusion complex of major pilin CfaB and major pilin CfaB of CFA/I pilus from ETEC E. coli
Descriptor: CFA/I fimbrial subunit B
Authors:Xia, D, Li, Y.F.
Deposit date:2008-11-11
Release date:2009-08-11
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structure of CFA/I fimbriae from enterotoxigenic Escherichia coli.
Proc.Natl.Acad.Sci.USA, 106, 2009
7Q4K
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BU of 7q4k by Molmil
Erythromycin-stalled Escherichia coli 70S ribosome with streptococcal MsrDL nascent chain
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
Authors:Fostier, C.R, Ousalem, F, Soufari, H, Leroy, E.C, Ngo, S, Innis, A, Hashem, Y, Boel, G.
Deposit date:2021-10-31
Release date:2022-11-16
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Regulation of the macrolide resistance ABC-F translation factor MsrD.
Nat Commun, 14, 2023
3FE6
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BU of 3fe6 by Molmil
Crystal structure of a pheromone binding protein from Apis mellifera with a serendipitous ligand at pH 5.5
Descriptor: (20S)-20-methyldotetracontane, CHLORIDE ION, GLYCEROL, ...
Authors:Pesenti, M.E, Spinelli, S, Bezirard, V, Briand, L, Pernollet, J.C, Tegoni, M, Cambillau, C.
Deposit date:2008-11-27
Release date:2009-12-01
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Queen bee pheromone binding protein pH induced domain-swapping favors pheromone release
To be Published
5HQD
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BU of 5hqd by Molmil
Acoustic injectors for drop-on-demand serial femtosecond crystallography
Descriptor: CALCIUM ION, Thermolysin, ZINC ION
Authors:Roesser, C.G, Agarwal, R, Allaire, M, Alonso-Mori, R, Andi, B, Bachega, J.F.R, Bommer, M, Brewster, A.S, Browne, M.C, Chatterjee, R, Cho, E, Cohen, A.E, Cowan, M, Datwani, S, Davidson, V.L, Defever, J, Eaton, B, Ellson, R, Feng, Y, Ghislain, L.P, Glownia, J.M, Han, G, Hattne, J, Hellmich, J, Heroux, A, Ibrahim, M, Kern, J, Kuczewski, A, Lemke, H.T, Liu, P, Majlof, L, McClintock, W.M, Myers, S, Nelsen, S, Olechno, J, Orville, A.M, Sauter, N.K, Soares, A.S, Soltis, M.S, Song, H, Stearns, R.G, Tran, R, Tsai, Y, Uervirojnangkoorn, M, Wilmot, C.M, Yachandra, V, Yano, J, Yukl, E.T, Zhu, D, Zouni, A.
Deposit date:2016-01-21
Release date:2016-02-10
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Acoustic Injectors for Drop-On-Demand Serial Femtosecond Crystallography.
Structure, 24, 2016
8GDW
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BU of 8gdw by Molmil
Crystal structure of Domain Related to Iron (DRI) from cyanobacteria
Descriptor: Ssr1698 protein, ZINC ION
Authors:Kumaran, D, Grosjean, N, Blaby, E.C.
Deposit date:2023-03-06
Release date:2024-03-13
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:A hemoprotein with a zinc-mirror heme site ties heme availability to carbon metabolism in cyanobacteria.
Nat Commun, 15, 2024
7QP6
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BU of 7qp6 by Molmil
Structure of the human 48S initiation complex in open state (h48S AUG open)
Descriptor: 18S rRNA, 40S ribosomal protein S10, 40S ribosomal protein S11, ...
Authors:Yi, S.-H, Petrychenko, V, Schliep, J.E, Goyal, A, Linden, A, Chari, A, Urlaub, H, Stark, H, Rodnina, M.V, Adio, S, Fischer, N.
Deposit date:2022-01-03
Release date:2022-05-11
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (4.7 Å)
Cite:Conformational rearrangements upon start codon recognition in human 48S translation initiation complex.
Nucleic Acids Res., 50, 2022
8GF4
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BU of 8gf4 by Molmil
Crystal structure of Domain Related to Iron (DRI) in complex with heme
Descriptor: PROTOPORPHYRIN IX CONTAINING FE, Ssr1698 protein, ZINC ION
Authors:Kumaran, D, Blaby, E.C.
Deposit date:2023-03-07
Release date:2024-03-13
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (3 Å)
Cite:A hemoprotein with a zinc-mirror heme site ties heme availability to carbon metabolism in cyanobacteria.
Nat Commun, 15, 2024
7QP7
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BU of 7qp7 by Molmil
Structure of the human 48S initiation complex in closed state (h48S AUG closed)
Descriptor: 18S rRNA, 40S ribosomal protein S10, 40S ribosomal protein S11, ...
Authors:Yi, S.-H, Petrychenko, V, Schliep, J.E, Goyal, A, Linden, A, Chari, A, Urlaub, H, Stark, H, Rodnina, M.V, Adio, S, Fischer, N.
Deposit date:2022-01-03
Release date:2022-05-11
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Conformational rearrangements upon start codon recognition in human 48S translation initiation complex.
Nucleic Acids Res., 50, 2022
6YAL
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BU of 6yal by Molmil
Mammalian 48S late-stage initiation complex with beta-globin mRNA
Descriptor: 18S ribosomal RNA, 40S Ribosomal protein uS3, 40S Ribosomal protein uS7, ...
Authors:Bochler, A, Simonetti, A, Guca, E, Hashem, Y.
Deposit date:2020-03-12
Release date:2020-04-08
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural Insights into the Mammalian Late-Stage Initiation Complexes.
Cell Rep, 31, 2020

238582

數據於2025-07-09公開中

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