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4PA7
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BU of 4pa7 by Molmil
Structure of NavMS pore and C-terminal domain crystallised in presence of channel blocking compound
Descriptor: DODECAETHYLENE GLYCOL, HEGA-10, Ion transport protein, ...
Authors:Naylor, C.E, Bagneris, C, Wallace, B.A.
Deposit date:2014-04-07
Release date:2014-06-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.02 Å)
Cite:Prokaryotic NavMs channel as a structural and functional model for eukaryotic sodium channel antagonism.
Proc.Natl.Acad.Sci.USA, 111, 2014
4XAI
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BU of 4xai by Molmil
Crystal Structure of red flour beetle NR2E1/TLX
Descriptor: Grunge, isoform J, Maltose-binding periplasmic protein,Tailless ortholog, ...
Authors:Zhi, X, Zhou, E, Xu, E.
Deposit date:2014-12-14
Release date:2015-03-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis for corepressor assembly by the orphan nuclear receptor TLX.
Genes Dev., 29, 2015
8FOI
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BU of 8foi by Molmil
Native GABA-A receptor from the mouse brain, alpha1-beta2-gamma2 subtype, in complex with GABA and allopregnanolone
Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, DODECANE, ...
Authors:Sun, C, Gouaux, E.
Deposit date:2022-12-30
Release date:2023-09-20
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Cryo-EM structures reveal native GABA A receptor assemblies and pharmacology.
Nature, 622, 2023
4PBU
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BU of 4pbu by Molmil
Serial Time-resolved crystallography of Photosystem II using a femtosecond X-ray laser The S1 state
Descriptor: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 2,3-DIMETHYL-5-(3,7,11,15,19,23,27,31,35-NONAMETHYL-2,6,10,14,18,22,26,30,34-HEXATRIACONTANONAENYL-2,5-CYCLOHEXADIENE-1,4-DIONE-2,3-DIMETHYL-5-SOLANESYL-1,4-BENZOQUINONE, ...
Authors:Kupitz, C, Basu, S, Grotjohann, I, Fromme, R, Zatsepin, N, Rendek, K.N, Hunter, M, Shoeman, R.L, White, T.A, Wang, D, James, D, Yang, J.H, Cobb, D.E, Reeder, B, Sierra, R.G, Liu, H, Barty, A, Aquila, A, Deponte, D, Kirian, R.A, Bari, S, Bergkamp, J.J, Beyerlein, K, Bogan, M.J, Caleman, C, Chao, T.-C, Conrad, C.E, Davis, K.M, Fleckenstein, H, Galli, L, Hau-Riege, S.P, Kassemeyer, S, Laksmono, H, Liang, M, Lomb, L, Marchesini, S, Martin, A.V, Messerschmidt, M, Milathianaki, D, Nass, K, Ros, A, Roy-Chowdhury, S, Schmidt, K, Seibert, M, Steinbrener, J, Stellato, F, Yan, L, Yoon, C, Moore, T.A, Moore, A.L, Pushkar, Y, Williams, G.J, Boutet, S, Doak, R.B, Weierstall, U, Frank, M, Chapman, H.N, Spence, J.C.H, Fromme, P.
Deposit date:2014-04-13
Release date:2014-07-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (5 Å)
Cite:Serial time-resolved crystallography of photosystem II using a femtosecond X-ray laser.
Nature, 513, 2014
8AZA
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BU of 8aza by Molmil
Structure of RIP2K dimer bound to the XIAP BIR2 domain
Descriptor: E3 ubiquitin-protein ligase XIAP, Receptor-interacting serine/threonine-protein kinase 2, ZINC ION
Authors:Pellegrini, E, Cusack, S.
Deposit date:2022-09-05
Release date:2022-10-26
Last modified:2023-09-20
Method:ELECTRON MICROSCOPY (3.15 Å)
Cite:Structure shows that the BIR2 domain of E3 ligase XIAP binds across the RIPK2 kinase dimer interface.
Life Sci Alliance, 6, 2023
4XLS
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BU of 4xls by Molmil
Crystal structure of T. aquaticus transcription initiation complex with CarD containing upstream fork promoter.
Descriptor: CarD-like transcriptional regulator, DNA (30-MER), DNA (5'-D(P*GP*CP*AP*CP*AP*AP*TP*TP*TP*AP*AP*CP*AP*CP*TP*TP*TP*TP*GP*TP*CP*AP*AP*G)-3'), ...
Authors:Bae, B, Darst, S.A.
Deposit date:2015-01-13
Release date:2015-09-23
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (4.01 Å)
Cite:CarD uses a minor groove wedge mechanism to stabilize the RNA polymerase open promoter complex.
Elife, 4, 2015
8AIY
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BU of 8aiy by Molmil
STRUCTURE OF THE LECB LECTIN FROM PSEUDOMONAS AERUGINOSA STRAIN PAO1 IN COMPLEX WITH N-(beta-L-Fucopyranosyl)-biphenyl-3-carboxamide (4i)
Descriptor: CALCIUM ION, Fucose-binding lectin PA-IIL, N-(beta-L-Fucopyranosyl)-biphenyl-3-carboxamide, ...
Authors:Meiers, J, Mala, P, Varrot, A, Siebs, E, Imberty, A, Titz, A.
Deposit date:2022-07-27
Release date:2022-11-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Discovery of N -beta-l-Fucosyl Amides as High-Affinity Ligands for the Pseudomonas aeruginosa Lectin LecB.
J.Med.Chem., 65, 2022
8T0K
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BU of 8t0k by Molmil
Cryo-EM of the GDP-bound human dynamin (full-length) polymer assembled on the membrane in the super constricted state
Descriptor: Dynamin-1, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
Authors:Jimah, J.R, Canagarajah, B.J, Hinshaw, J.E.
Deposit date:2023-06-01
Release date:2024-05-01
Last modified:2024-08-07
Method:ELECTRON MICROSCOPY (3.58 Å)
Cite:Cryo-EM structures of membrane-bound dynamin in a post-hydrolysis state primed for membrane fission.
Dev.Cell, 59, 2024
8SXZ
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BU of 8sxz by Molmil
Cryo-EM of the GDP-bound human dynamin polymer assembled on the membrane in the super constricted state
Descriptor: Dynamin-1, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
Authors:Jimah, J.R, Canagarajah, B.J, Hinshaw, J.E.
Deposit date:2023-05-24
Release date:2024-05-01
Last modified:2024-08-07
Method:ELECTRON MICROSCOPY (3.26 Å)
Cite:Cryo-EM structures of membrane-bound dynamin in a post-hydrolysis state primed for membrane fission.
Dev.Cell, 59, 2024
4XIX
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BU of 4xix by Molmil
Carbonic anhydrase Cah3 from Chlamydomonas reinhardtii in complex with phosphate.
Descriptor: Carbonic anhydrase, alpha type, DIHYDROGENPHOSPHATE ION, ...
Authors:Hainzl, T, Grundstrom, C, Benlloch, R, Shevela, D, Shutova, T, Messinger, J, Samuelsson, G, Sauer-Eriksson, A.E.
Deposit date:2015-01-08
Release date:2015-02-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal Structure and Functional Characterization of Photosystem II-Associated Carbonic Anhydrase CAH3 in Chlamydomonas reinhardtii.
Plant Physiol., 167, 2015
8T0R
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BU of 8t0r by Molmil
Cryo-EM of the GDP-bound human dynamin (full-length) polymer assembled on the membrane in the super constricted state (full helix)
Descriptor: Dynamin-1, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
Authors:Jimah, J.R, Canagarajah, B.J, Hinshaw, J.E.
Deposit date:2023-06-01
Release date:2024-05-01
Last modified:2024-08-07
Method:ELECTRON MICROSCOPY (3.97 Å)
Cite:Cryo-EM structures of membrane-bound dynamin in a post-hydrolysis state primed for membrane fission.
Dev.Cell, 59, 2024
6FSZ
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BU of 6fsz by Molmil
Structure of the nuclear RNA exosome
Descriptor: ATP-dependent RNA helicase DOB1, Exosome complex component CSL4, Exosome complex component MTR3, ...
Authors:Schuller, J.M, Falk, S, Conti, E.
Deposit date:2018-02-20
Release date:2018-03-21
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (4.6 Å)
Cite:Structure of the nuclear exosome captured on a maturing preribosome.
Science, 360, 2018
6VZG
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BU of 6vzg by Molmil
Cryo-EM structure of Sth1-Arp7-Arp9-Rtt102
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Actin-like protein ARP9, Actin-related protein 7, ...
Authors:Leschziner, A.E, Baker, R.W.
Deposit date:2020-02-28
Release date:2020-12-02
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Structural insights into assembly and function of the RSC chromatin remodeling complex.
Nat.Struct.Mol.Biol., 28, 2021
6FUG
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BU of 6fug by Molmil
Complement factor D in complex with the inhibitor 3-((3-((3-(aminomethyl)phenyl)amino)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino)phenol
Descriptor: 3-[[3-[[3-(aminomethyl)phenyl]amino]-1~{H}-pyrazolo[3,4-d]pyrimidin-4-yl]amino]phenol, Complement factor D
Authors:Mac Sweeney, A, Ostermann, N, Vulpetti, A, Maibaum, J, Erbel, P, Lorthiois, E, Yoon, T, Randl, S, Ruedisser, S.
Deposit date:2018-02-27
Release date:2018-06-06
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Discovery and Design of First Benzylamine-Based Ligands Binding to an Unlocked Conformation of the Complement Factor D.
ACS Med Chem Lett, 9, 2018
8CYE
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BU of 8cye by Molmil
Cryo-EM asymmetric reconstruction of the EPEC H6 bacterial flagellar filament Normal Waveform
Descriptor: Flagellin
Authors:Kreutzberger, M.A.B, Chatterjee, S, Frankel, G, Egelman, E.H.
Deposit date:2022-05-23
Release date:2022-09-07
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Convergent evolution in the supercoiling of prokaryotic flagellar filaments.
Cell, 185, 2022
5IK5
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BU of 5ik5 by Molmil
Laminin A2LG45 C-form, G6/7 bound.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 7-hydroxy-4-methyl-2H-chromen-2-one, CALCIUM ION, ...
Authors:Briggs, D.C, Hohenester, E, Campbell, K.P.
Deposit date:2016-03-03
Release date:2016-08-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Structural basis of laminin binding to the LARGE glycans on dystroglycan.
Nat.Chem.Biol., 12, 2016
6W03
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BU of 6w03 by Molmil
Crystal Structure of HIV-1 BG505 DS-SOSIP.3mut Prefusion Env Trimer in Complex with Human Antibodies 3H109L and 35O22 at 3.3 Angstrom
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 35O22 scFv heavy chain, ...
Authors:Lai, Y.-T, Kwong, P.D.
Deposit date:2020-02-28
Release date:2020-04-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Development of a 3Mut-Apex-Stabilized Envelope Trimer That Expands HIV-1 Neutralization Breadth When Used To Boost Fusion Peptide-Directed Vaccine-Elicited Responses.
J.Virol., 94, 2020
8J3S
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BU of 8j3s by Molmil
Complex structure of human cytomegalovirus protease and a macrocyclic peptide ligand
Descriptor: Assemblin, PHE-ILE-THR-GLY-HIS-TYR-TRP-VAL-ARG-PHE-LEU-PRO-CYS-GLY
Authors:Yoshida, S, Sako, Y, Nikaido, E, Ueda, T, Kozono, I, Ichihashi, Y, Nakahashi, A, Onishi, M, Yamatsu, Y, Kato, T, Nishikawa, J, Tachibana, Y.
Deposit date:2023-04-18
Release date:2023-11-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.09 Å)
Cite:Peptide-to-Small Molecule: Discovery of Non-Covalent, Active-Site Inhibitors of beta-Herpesvirus Proteases.
Acs Med.Chem.Lett., 14, 2023
8THD
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BU of 8thd by Molmil
Structure of the Saccharomyces cerevisiae clamp unloader Elg1-RFC bound to PCNA
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ELG1 isoform 1, MAGNESIUM ION, ...
Authors:Zheng, F, Yao, Y.N, Georgescu, R, O'Donnell, M.E, Li, H.
Deposit date:2023-07-14
Release date:2024-05-22
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.25 Å)
Cite:Structure of the PCNA unloader Elg1-RFC.
Sci Adv, 10, 2024
1TM3
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BU of 1tm3 by Molmil
crystal structure of the complex of subtilisin BPN' with chymotrypsin inhibitor 2 M59k mutant
Descriptor: CALCIUM ION, CITRIC ACID, PENTAETHYLENE GLYCOL, ...
Authors:Radisky, E.S, Kwan, G, Karen Lu, C.J, Koshland Jr, D.E.
Deposit date:2004-06-10
Release date:2004-11-09
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Binding, Proteolytic, and Crystallographic Analyses of Mutations at the Protease-Inhibitor Interface of the Subtilisin BPN'/Chymotrypsin Inhibitor 2 Complex(,).
Biochemistry, 43, 2004
5WIL
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BU of 5wil by Molmil
JAK2 Pseudokinase in complex with AZD7762
Descriptor: 5-(3-fluorophenyl)-N-[(3S)-3-piperidyl]-3-ureido-thiophene-2-carboxamide, Tyrosine-protein kinase JAK2
Authors:Li, Q, Eck, M.J, Li, K, Park, E.
Deposit date:2017-07-19
Release date:2018-08-01
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery and Structural Characterization of ATP-Site Ligands for the Wild-Type and V617F Mutant JAK2 Pseudokinase Domain.
ACS Chem. Biol., 14, 2019
6W8Y
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BU of 6w8y by Molmil
Co-crystal structures of CHIKV nsP3 macrodomain with pyrimidone fragments
Descriptor: 2-oxo-2,3-dihydropyrimidine-4-carboxylic acid, Nonstructural polyprotein
Authors:Zhang, S, Garzan, A, Pathak, A.K, Augelli-Szafran, C.E, Wu, M.
Deposit date:2020-03-21
Release date:2021-01-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Pyrimidone inhibitors targeting Chikungunya Virus nsP3 macrodomain by fragment-based drug design.
Plos One, 16, 2021
6PB1
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BU of 6pb1 by Molmil
Cryo-EM structure of Urocortin 1-bound Corticotropin-releasing factor 2 receptor in complex with Gs protein and Nb35
Descriptor: CHOLESTEROL, Corticotropin-releasing factor receptor 2, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Ma, S, Shen, Q, Zhao, L.-H, Mao, C, Zhou, X.E, Shen, D.-D, de Waal, P.W, Bi, P, Li, C, Jiang, Y, Wang, M.-W, Sexton, P.M, Wootten, D, Melcher, K, Zhang, Y, Xu, H.E.
Deposit date:2019-06-12
Release date:2020-02-12
Last modified:2020-02-19
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Molecular Basis for Hormone Recognition and Activation of Corticotropin-Releasing Factor Receptors.
Mol.Cell, 77, 2020
8ALY
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BU of 8aly by Molmil
Cryo-EM structure of human tankyrase 2 SAM-PARP filament (G1032W mutant)
Descriptor: Poly [ADP-ribose] polymerase tankyrase-2, ZINC ION
Authors:Mariotti, L, Inian, O, Desfosses, A, Beuron, F, Morris, E.P, Guettler, S.
Deposit date:2022-08-01
Release date:2022-11-16
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (2.98 Å)
Cite:Structural basis of tankyrase activation by polymerization.
Nature, 612, 2022
8THB
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BU of 8thb by Molmil
Structure of the Saccharomyces cerevisiae PCNA clamp unloader Elg1-RFC complex
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ELG1 isoform 1, MAGNESIUM ION, ...
Authors:Zheng, F, Yao, Y.N, Georgescu, R, O'Donnell, M.E, Li, H.
Deposit date:2023-07-14
Release date:2024-05-22
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structure of the PCNA unloader Elg1-RFC.
Sci Adv, 10, 2024

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数据于2024-09-25公开中

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