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7P0F
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BU of 7p0f by Molmil
Crystal structure of a CGRP receptor ectodomain heterodimer bound to macrocyclic inhibitor HTL0028125
Descriptor: (1S,10R,23E)-12-methyl-10-[(7-methyl-1H-indazol-5-yl)methyl]-15,18,21-trioxa-5,9,12,27,29-pentazapentacyclo[23.5.2.11,4.13,7.028,31]tetratriaconta-3(33),4,6,23,25(32),26,28(31)-heptaene-8,11,30-trione, Maltose/maltodextrin-binding periplasmic protein,Receptor activity-modifying protein 1,Calcitonin gene-related peptide type 1 receptor, TETRAETHYLENE GLYCOL, ...
Authors:Southall, S.M, Watson, S.P.
Deposit date:2021-06-29
Release date:2022-06-15
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Novel Macrocyclic Antagonists of the Calcitonin Gene-Related Peptide Receptor: Design, Realization, and Structural Characterization of Protein-Ligand Complexes.
Acs Chem Neurosci, 13, 2022
6HRF
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BU of 6hrf by Molmil
Straight filament from sporadic Alzheimer's disease brain
Descriptor: Microtubule-associated protein tau
Authors:Falcon, B, Zhang, W, Schweighauser, M, Murzin, A.G, Vidal, R, Garringer, H.J, Ghetti, B, Scheres, S.H.W, Goedert, M.
Deposit date:2018-09-26
Release date:2018-10-10
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Tau filaments from multiple cases of sporadic and inherited Alzheimer's disease adopt a common fold.
Acta Neuropathol., 136, 2018
6XRZ
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BU of 6xrz by Molmil
The 28-kDa Frameshift Stimulation Element from the SARS-CoV-2 RNA Genome
Descriptor: Frameshift Stimulation Element from the SARS-CoV-2 RNA Genome
Authors:Zhang, K, Zheludev, I, Hagey, R, Wu, M, Haslecker, R, Hou, Y, Kretsch, R, Pintilie, G, Rangan, R, Kladwang, W, Li, S, Pham, E, Souibgui, C, Baric, R, Sheahan, T, Souza, V, Glenn, J, Chiu, W, Das, R.
Deposit date:2020-07-14
Release date:2020-08-19
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (6.9 Å)
Cite:Cryo-electron Microscopy and Exploratory Antisense Targeting of the 28-kDa Frameshift Stimulation Element from the SARS-CoV-2 RNA Genome.
Biorxiv, 2020
7PD9
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BU of 7pd9 by Molmil
Crystal structure of CD73 in complex with riboflavin in the open form
Descriptor: 5'-nucleotidase, CALCIUM ION, DIMETHYL SULFOXIDE, ...
Authors:Scaletti, E.R, Strater, N.
Deposit date:2021-08-04
Release date:2021-10-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Substrate binding modes of purine and pyrimidine nucleotides to human ecto-5'-nucleotidase (CD73) and inhibition by their bisphosphonic acid derivatives.
Purinergic Signal, 17, 2021
6WJC
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BU of 6wjc by Molmil
Muscarinic acetylcholine receptor 1 - muscarinic toxin 7 complex
Descriptor: (1R,5S)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL (2R)-3-HYDROXY-2-PHENYLPROPANOATE, ACETAMIDE, CHOLESTEROL HEMISUCCINATE, ...
Authors:Maeda, S, Kobilka, B.K.
Deposit date:2020-04-13
Release date:2020-07-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structure and selectivity engineering of the M1muscarinic receptor toxin complex.
Science, 369, 2020
7PCP
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BU of 7pcp by Molmil
Crystal structure of CD73 in complex with 5-iodouracil in the open form
Descriptor: 5'-nucleotidase, 5-IODOURACIL, CALCIUM ION, ...
Authors:Scaletti, E.R, Strater, N.
Deposit date:2021-08-03
Release date:2021-10-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.377 Å)
Cite:Substrate binding modes of purine and pyrimidine nucleotides to human ecto-5'-nucleotidase (CD73) and inhibition by their bisphosphonic acid derivatives.
Purinergic Signal, 17, 2021
7PBY
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BU of 7pby by Molmil
Crystal structure of CD73 in complex with 4-nitrocatechol in the open form
Descriptor: 4-NITROCATECHOL, 5'-nucleotidase, CALCIUM ION, ...
Authors:Scaletti, E.R, Strater, N.
Deposit date:2021-08-02
Release date:2021-10-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:Substrate binding modes of purine and pyrimidine nucleotides to human ecto-5'-nucleotidase (CD73) and inhibition by their bisphosphonic acid derivatives.
Purinergic Signal, 17, 2021
6HAL
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BU of 6hal by Molmil
Human carbonmonoxy hemoglobin SFX dataset
Descriptor: CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
Authors:Doak, B, Gorel, A, Foucar, L, Barends, T.R.M, Gruenbein, M.L, Hilpert, M, Kloos, M, Nass Kovacs, G, Roome, C.M, Shoeman, R.L, Stricker, M, Tono, K, You, D, Ueda, K, Sherrell, D.A, Owen, R.L, Schlichting, I.
Deposit date:2018-08-07
Release date:2018-10-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystallography on a chip - without the chip: sheet-on-sheet sandwich.
Acta Crystallogr D Struct Biol, 74, 2018
7Q3V
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BU of 7q3v by Molmil
Re-refined structure of a type III antifreeze protein isoform HPLC 12
Descriptor: Type-3 ice-structuring protein HPLC 12
Authors:Mikhailovskii, O, Xue, Y, Jia, Z, Skrynnikov, N.R.
Deposit date:2021-10-28
Release date:2022-04-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Modeling a unit cell: crystallographic refinement procedure using the biomolecular MD simulation platform Amber.
Iucrj, 9, 2022
3S8L
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BU of 3s8l by Molmil
Protein-Ligand Interactions: Thermodynamic Effects Associated with Increasing Hydrophobic Surface Area
Descriptor: CHLORIDE ION, GLYCEROL, Growth factor receptor-bound protein 2, ...
Authors:Clements, J.H, Stephen, F.M.
Deposit date:2011-05-29
Release date:2011-11-02
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Protein-ligand interactions: thermodynamic effects associated with increasing nonpolar surface area.
J.Am.Chem.Soc., 133, 2011
3S8O
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BU of 3s8o by Molmil
Crystal Structure of the Grb2 SH2 Domain in Complex with a pYXN-Derived Tripeptide
Descriptor: CHLORIDE ION, Growth factor receptor-bound protein 2, SODIUM ION, ...
Authors:Clements, J.H, Stephen, F.M.
Deposit date:2011-05-29
Release date:2011-11-02
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Protein-ligand interactions: thermodynamic effects associated with increasing nonpolar surface area.
J.Am.Chem.Soc., 133, 2011
4RGW
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BU of 4rgw by Molmil
Crystal Structure of a TAF1-TAF7 Complex in Human Transcription Factor IID
Descriptor: GLYCEROL, Transcription initiation factor TFIID subunit 1, Transcription initiation factor TFIID subunit 7
Authors:Wang, H, Curran, E.C, Hinds, T.R, Wang, E.H, Zheng, N.
Deposit date:2014-09-30
Release date:2014-12-03
Last modified:2014-12-17
Method:X-RAY DIFFRACTION (2.301 Å)
Cite:Crystal structure of a TAF1-TAF7 complex in human transcription factor IID reveals a promoter binding module.
Cell Res., 24, 2014
3NB6
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BU of 3nb6 by Molmil
Crystal structure of Aquifex aeolicus peptidoglycan glycosyltransferase in complex with Methylphosphoryl Neryl Moenomycin
Descriptor: Penicillin-binding protein 1A
Authors:Sliz, P, Yuan, Y, Walker, S, Kahne, D.
Deposit date:2010-06-02
Release date:2011-05-18
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Functional and structural analysis of a key region of the cell wall inhibitor moenomycin.
Acs Chem.Biol., 5, 2010
7ALC
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BU of 7alc by Molmil
human GCH-GFRP stimulatory complex
Descriptor: GTP cyclohydrolase 1, GTP cyclohydrolase 1 feedback regulatory protein, PHENYLALANINE, ...
Authors:Ebenhoch, R, Nar, H.
Deposit date:2020-10-06
Release date:2021-10-13
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.726 Å)
Cite:A hybrid approach reveals the allosteric regulation of GTP cyclohydrolase I.
Proc.Natl.Acad.Sci.USA, 117, 2020
7ALB
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BU of 7alb by Molmil
human GCH-GFRP stimulatory complex 7-deaza-GTP bound
Descriptor: 7-deaza-GTP, GTP cyclohydrolase 1, GTP cyclohydrolase 1 feedback regulatory protein, ...
Authors:Ebenhoch, R, Nar, H.
Deposit date:2020-10-06
Release date:2021-10-13
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.979 Å)
Cite:A hybrid approach reveals the allosteric regulation of GTP cyclohydrolase I.
Proc.Natl.Acad.Sci.USA, 117, 2020
7PPN
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BU of 7ppn by Molmil
SHP2 catalytic domain in complex with CD28 (183-198) phosphopeptide (pTyr-191, p-Thr-195)
Descriptor: GLYCEROL, T-cell-specific surface glycoprotein CD28, Tyrosine-protein phosphatase non-receptor type 11,Tyrosine-protein phosphatase non-receptor type 11
Authors:Sok, P, Zeke, A, Remenyi, A.
Deposit date:2021-09-14
Release date:2022-09-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural insights into the pSer/pThr dependent regulation of the SHP2 tyrosine phosphatase in insulin and CD28 signaling.
Nat Commun, 13, 2022
3S8R
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BU of 3s8r by Molmil
Crystal Structures of Glutaryl 7-Aminocephalosporanic Acid Acylase: Insight into Autoproteolytic Activation
Descriptor: GLYCEROL, Glutaryl-7-aminocephalosporanic-acid acylase
Authors:Kim, J.K, Yang, I.S, Park, S.S, Kim, K.H.
Deposit date:2011-05-30
Release date:2011-07-06
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structures of glutaryl 7-aminocephalosporanic acid acylase: insight into autoproteolytic activation.
Biochemistry, 42, 2003
6I2I
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BU of 6i2i by Molmil
Refined 13pf Hela Cell Tubulin microtubule (EML4-NTD decorated)
Descriptor: GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER, ...
Authors:Atherton, J.M, Moores, C.A.
Deposit date:2018-11-01
Release date:2019-08-28
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Mitotic phosphorylation by NEK6 and NEK7 reduces the microtubule affinity of EML4 to promote chromosome congression.
Sci.Signal., 12, 2019
4RZD
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BU of 4rzd by Molmil
Crystal Structure of a PreQ1 Riboswitch
Descriptor: 7-DEAZA-7-AMINOMETHYL-GUANINE, PreQ1-III Riboswitch (Class 3)
Authors:Wedekind, J.E, Liberman, J.A, Salim, M.
Deposit date:2014-12-20
Release date:2015-07-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structural analysis of a class III preQ1 riboswitch reveals an aptamer distant from a ribosome-binding site regulated by fast dynamics.
Proc.Natl.Acad.Sci.USA, 112, 2015
3U1H
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BU of 3u1h by Molmil
Crystal structure of IPMDH from the last common ancestor of Bacillus
Descriptor: 3-isopropylmalate dehydrogenase
Authors:Haaning, S, Hobbs, J.K, Monk, C.R, Arcus, V.L.
Deposit date:2011-09-29
Release date:2011-11-02
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:On the Origin and Evolution of Thermophily: Reconstruction of Functional Precambrian Enzymes from Ancestors of Bacillus
MOL.BIOL.EVOL., 2011
6I41
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BU of 6i41 by Molmil
Co-crystal structure of human SPOP MATH domain (wild-type) and human BRD3 fragment
Descriptor: Bromodomain-containing protein 3, Speckle-type POZ protein
Authors:Ostertag, M.S, Popowicz, G.M, Sattler, M.
Deposit date:2018-11-08
Release date:2019-05-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Insights into BET Client Recognition of Endometrial and Prostate Cancer-Associated SPOP Mutants.
J.Mol.Biol., 431, 2019
8PBL
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BU of 8pbl by Molmil
E. coli RNA polymerase elongation complex stalled at thymine dimer lesion
Descriptor: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
Authors:Woodgate, J, Zenkin, N.
Deposit date:2023-06-09
Release date:2023-10-25
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (2.87 Å)
Cite:Translation selectively destroys non-functional transcription complexes.
Nature, 626, 2024
3U0J
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BU of 3u0j by Molmil
Crystal structure of ADP-ribosyltransferase HopU1 of Pseudomonas syringae pv. Tomato DC3000
Descriptor: Type III effector HopU1
Authors:Lin, Y, Yang, H, Wang, P, Xu, Y.
Deposit date:2011-09-28
Release date:2011-11-02
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure function analysis of an ADP-ribosyltransferase type III effector and its RNA-binding target in plant immunity
J.Biol.Chem., 286, 2011
4MGR
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BU of 4mgr by Molmil
The crystal structure of Bacillus subtilis GabR, an autorepressor and PLP- and GABA-dependent transcriptional activator of gabT
Descriptor: ACETATE ION, HTH-type transcriptional regulatory protein GabR, IMIDAZOLE, ...
Authors:Wu, R, Edayathumangalam, R, Garcia, R, Wang, Y, Wang, W, Kreinbring, C.A, Bach, A, Liao, J, Stone, T, Terwilliger, T, Hoang, Q.Q, Belitsky, B.R, Petsko, G.A, Ringe, D, Liu, D.
Deposit date:2013-08-28
Release date:2013-10-30
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Crystal structure of Bacillus subtilis GabR, an autorepressor and transcriptional activator of gabT.
Proc.Natl.Acad.Sci.USA, 110, 2013
3UBP
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BU of 3ubp by Molmil
DIAMIDOPHOSPHATE INHIBITED BACILLUS PASTEURII UREASE
Descriptor: DIAMIDOPHOSPHATE, NICKEL (II) ION, PROTEIN (UREASE ALPHA SUBUNIT), ...
Authors:Benini, S, Rypniewski, W.R, Wilson, K.S, Miletti, S, Mangani, S, Ciurli, S.
Deposit date:1998-12-16
Release date:1999-12-17
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:A new proposal for urease mechanism based on the crystal structures of the native and inhibited enzyme from Bacillus pasteurii: why urea hydrolysis costs two nickels.
Structure Fold.Des., 7, 1999

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数据于2024-09-25公开中

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