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4ZJX
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BU of 4zjx by Molmil
Crystal structure of the catalytic domain of botulinum neurotoxin serotype A with a Novel Cyclic Peptide Inhibitor
Descriptor: Botulinum neurotoxin type A, SULFATE ION, ZINC ION, ...
Authors:Kumaran, D, Swaminathan, S.
Deposit date:2015-04-29
Release date:2016-06-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Crystal structure of the catalytic domain of botulinum neurotoxin serotype A with a Novel Cyclic Peptide Inhibitor
To Be Published
6I7G
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BU of 6i7g by Molmil
Crystal structure of dimeric wild type FICD complexed with ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Adenosine monophosphate-protein transferase FICD, DI(HYDROXYETHYL)ETHER, ...
Authors:Perera, L.A, Yan, Y, Read, R.J, Ron, D.
Deposit date:2018-11-16
Release date:2019-09-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:An oligomeric state-dependent switch in the ER enzyme FICD regulates AMPylation and deAMPylation of BiP.
Embo J., 38, 2019
6I7Z
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BU of 6i7z by Molmil
Dye type peroxidase Aa from Streptomyces lividans: 32.8 kGy structure
Descriptor: Deferrochelatase/peroxidase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Ebrahim, A, Moreno-Chicano, T, Worrall, J.A.R, Strange, R.W, Axford, D, Sherrell, D.A, Appleby, M, Owen, R.L.
Deposit date:2018-11-19
Release date:2019-07-31
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Dose-resolved serial synchrotron and XFEL structures of radiation-sensitive metalloproteins.
Iucrj, 6, 2019
6I8E
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BU of 6i8e by Molmil
Dye type peroxidase Aa from Streptomyces lividans: 65.6 kGy structure
Descriptor: Deferrochelatase/peroxidase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Ebrahim, A, Moreno-Chicano, T, Worrall, J.A.R, Strange, R.W, Axford, D, Sherrell, D.A, Appleby, M, Owen, R.L.
Deposit date:2018-11-20
Release date:2019-07-31
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Dose-resolved serial synchrotron and XFEL structures of radiation-sensitive metalloproteins.
Iucrj, 6, 2019
1J8N
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BU of 1j8n by Molmil
Solution structure of beta3-analogue peptide corresponding to the gp41 600-612 loop of HIV.
Descriptor: HIV1 GP41 HSER analogue peptide Ace-Ile-Trp-Gly-Cys-beta3Ser-Gly-Lys-Leu-Ile-Cys-Thr-Thr-Ala
Authors:Phan Chan Du, A, Limal, D, Semetey, V, Dali, H, Jolivet, M, Desgranges, C, Cung, M.T, Briand, J.P, Petit, M.C, Muller, S.
Deposit date:2001-05-22
Release date:2003-07-01
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:Structural and immunological characterisation of heteroclitic peptide analogues corresponding to the 600-612 region of the HIV envelope gp41 glycoprotein.
J.Mol.Biol., 323, 2002
6I91
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BU of 6i91 by Molmil
Dye type peroxidase Aa from Streptomyces lividans: 156.8 kGy structure
Descriptor: Deferrochelatase/peroxidase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Ebrahim, A, Moreno-Chicano, T, Worrall, J.A.R, Strange, R.W, Axford, D, Sherrell, D.A, Appleby, M, Owen, R.L.
Deposit date:2018-11-22
Release date:2019-12-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Dose-resolved serial synchrotron and XFEL structures of radiation sensitive metalloproteins
To be published
4ZIG
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BU of 4zig by Molmil
Crystal Structure of core/latch dimer of Bax in complex with BidBH3mini
Descriptor: Apoptosis regulator BAX, BH3-interacting domain death agonist
Authors:Robin, A.Y, Krishna Kumar, K, Westphal, D, Wardak, A.Z, Thompson, G.V, Dewson, G, Colman, P.M, Czabotar, P.E.
Deposit date:2015-04-28
Release date:2015-07-22
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of Bax bound to the BH3 peptide of Bim identifies important contacts for interaction.
Cell Death Dis, 6, 2015
4ZJH
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BU of 4zjh by Molmil
Crystal structure of native alpha-2-macroglobulin from Escherichia coli spanning domains NIE-MG1.
Descriptor: ACETATE ION, GLYCEROL, alpha-2-Macroglobulin
Authors:Garcia-Ferrer, I, Arede, P, Gomez-Blanco, J, Luque, D, Duquerroy, S, Caston, J.R, Goulas, T, Gomis-Ruth, X.F.
Deposit date:2015-04-29
Release date:2015-06-10
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural and functional insights into Escherichia coli alpha 2-macroglobulin endopeptidase snap-trap inhibition.
Proc.Natl.Acad.Sci.USA, 112, 2015
4ZKJ
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BU of 4zkj by Molmil
Crystal structure of CRISPR-associated protein
Descriptor: CRISPR-associated protein Cas1, GLYCEROL
Authors:Ka, D, Bae, E.
Deposit date:2015-04-30
Release date:2016-01-13
Last modified:2016-01-20
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal Structure of Streptococcus pyogenes Cas1 and Its Interaction with Csn2 in the Type II CRISPR-Cas System
Structure, 24, 2016
6IJH
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BU of 6ijh by Molmil
Crystal structure of PDE10 in complex with inhibitor AF-399/14387019
Descriptor: 2-[2-(4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl)ethyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione, MAGNESIUM ION, ZINC ION, ...
Authors:Huang, Y.Y, Yu, Y.F, Zhang, C, Wu, D, Wu, Y, Luo, H.B.
Deposit date:2018-10-10
Release date:2019-04-10
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Validation of Phosphodiesterase-10 as a Novel Target for Pulmonary Arterial Hypertension via Highly Selective and Subnanomolar Inhibitors.
J. Med. Chem., 62, 2019
1ILC
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BU of 1ilc by Molmil
DNA Bending by an Adenine-Thymine Tract and Its Role in Gene Regulation.
Descriptor: 5'-D(*AP*CP*CP*GP*AP*AP*TP*TP*CP*GP*GP*T)-3'
Authors:Hizver, J, Rozenberg, H, Frolow, F, Rabinovich, D, Shakked, Z.
Deposit date:2001-05-08
Release date:2002-05-08
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:DNA bending by an adenine--thymine tract and its role in gene regulation.
Proc.Natl.Acad.Sci.USA, 98, 2001
1IM7
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BU of 1im7 by Molmil
Solution structure of synthetic cyclic peptide mimicking the loop of HIV-1 gp41 glycoprotein envelope
Descriptor: GP41-PARENT PEPTIDE ACE-ILE-TRP-GLY-CYS-SER-GLY-LYS-LEU-ILE-CYS-THR-THR-ALA
Authors:Phan Chan Du, A, Limal, D, Semetey, V, Dali, H, Jolivet, M, Desgranges, C, Cung, M.T, Briand, J.P, Petit, M.C, Muller, S.
Deposit date:2001-05-10
Release date:2002-10-23
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:Structural and immunological characterisation of heteroclitic peptide analogues corresponding to the 600-612 region of the HIV envelope gp41 glycoprotein.
J.Mol.Biol., 323, 2002
6XTF
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BU of 6xtf by Molmil
Crystal structure a Thioredoxin Reductase from Gloeobacter violaceus bound to its electron donor
Descriptor: ACETATE ION, DI(HYDROXYETHYL)ETHER, FE2/S2 (INORGANIC) CLUSTER, ...
Authors:Buey, R.M, Gonzalez-Holgado, G, Fernandez-Justel, D, Balsera, M.
Deposit date:2020-01-16
Release date:2021-07-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Unexpected diversity of ferredoxin-dependent thioredoxin reductases in cyanobacteria.
Plant Physiol., 186, 2021
6IF0
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BU of 6if0 by Molmil
Crystal structure of CERT START domain in complex with compound D16
Descriptor: 2-({4'-pentyl-3'-[(Z)-2-(pyridin-2-yl)ethenyl][1,1'-biphenyl]-4-yl}sulfonyl)ethan-1-ol, LIPID-TRANSFER PROTEIN CERT
Authors:Suzuki, M, Nakao, N, Ueno, M, Sakai, S, Egawa, D, Hanzawa, H, Kawasaki, S, Kumagai, K, Kobayashi, S, Hanada, K.
Deposit date:2018-09-18
Release date:2019-02-27
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Natural ligand-nonmimetic inhibitors of the lipid-transfer protein CERT
Commun Chem, 2019
6XZ1
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BU of 6xz1 by Molmil
Conjugate of the HECT domain of HUWE1 with ubiquitin
Descriptor: HECT, UBA and WWE domain containing 1, isoform CRA_a, ...
Authors:Liu, B, Seenivasan, A, Nair, R, Chen, D, Lowe, E.D, Lorenz, S.
Deposit date:2020-01-31
Release date:2021-08-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Reconstitution and Structural Analysis of a HECT Ligase-Ubiquitin Complex via an Activity-Based Probe.
Acs Chem.Biol., 16, 2021
4ZWB
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BU of 4zwb by Molmil
Crystal structure of maltose-bound human GLUT3 in the outward-occluded conformation at 2.4 angstrom
Descriptor: Solute carrier family 2, facilitated glucose transporter member 3, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Deng, D, Sun, P.C, Yan, C.Y, Yan, N.
Deposit date:2015-05-19
Release date:2015-07-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Molecular basis of ligand recognition and transport by glucose transporters
Nature, 526, 2015
6I7L
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BU of 6i7l by Molmil
Crystal structure of monomeric FICD mutant L258D complexed with MgAMP-PNP
Descriptor: Adenosine monophosphate-protein transferase FICD, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Perera, L.A, Yan, Y, Read, R.J, Ron, D.
Deposit date:2018-11-16
Release date:2019-09-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:An oligomeric state-dependent switch in the ER enzyme FICD regulates AMPylation and deAMPylation of BiP.
Embo J., 38, 2019
1IE9
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BU of 1ie9 by Molmil
Crystal Structure Of The Nuclear Receptor For Vitamin D Ligand Binding Domain Bound to MC1288
Descriptor: 5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANE-1,3-DIOL, VITAMIN D3 RECEPTOR
Authors:Tocchini-Valentini, G, Rochel, N, Wurtz, J.M, Mitschler, A, Moras, D.
Deposit date:2001-04-09
Release date:2001-05-16
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal structures of the vitamin D receptor complexed to superagonist 20-epi ligands.
Proc.Natl.Acad.Sci.USA, 98, 2001
6ISU
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BU of 6isu by Molmil
Crystal structure of Lys27-linked di-ubiquitin in complex with its selective interacting protein UCHL3
Descriptor: Ubiquitin, Ubiquitin carboxyl-terminal hydrolase isozyme L3
Authors:Ding, S, Pan, M, Zheng, Q, Ren, Y, Hong, D.
Deposit date:2018-11-19
Release date:2019-02-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.866 Å)
Cite:Chemical Protein Synthesis Enabled Mechanistic Studies on the Molecular Recognition of K27-linked Ubiquitin Chains.
Angew. Chem. Int. Ed. Engl., 58, 2019
5A52
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BU of 5a52 by Molmil
The crystal structure of Arabidopsis thaliana CAR1 in complex with one calcium ion
Descriptor: CALCIUM ION, CALCIUM-DEPENDENT LIPID-BINDING DOMAIN-CONTAINING PROTEIN, GLYCEROL, ...
Authors:Fernandez, D, Marquez, J.A.
Deposit date:2015-06-16
Release date:2016-03-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Calcium-Dependent Oligomerization of Car Proteins at Cell Membrane Modulates Aba Signaling.
Proc.Natl.Acad.Sci.USA, 113, 2016
6I8O
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BU of 6i8o by Molmil
Dye type peroxidase Aa from Streptomyces lividans: 39.2kGy structure
Descriptor: Deferrochelatase/peroxidase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Ebrahim, A, Moreno-Chicano, T, Worrall, J.A.R, Strange, R.W, Axford, D, Sherrell, D.A, Appleby, M, Owen, R.L.
Deposit date:2018-11-20
Release date:2019-07-31
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Dose-resolved serial synchrotron and XFEL structures of radiation-sensitive metalloproteins.
Iucrj, 6, 2019
4ZU2
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BU of 4zu2 by Molmil
Pseudomonas aeruginosa AtuE
Descriptor: IODIDE ION, Putative isohexenylglutaconyl-CoA hydratase
Authors:Poudel, N, Pfannstiel, J, Simon, O, Walter, N, Jendrossek, D, Papageorgiou, A.C.
Deposit date:2015-05-15
Release date:2015-07-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:The Pseudomonas aeruginosa Isohexenyl Glutaconyl Coenzyme A Hydratase (AtuE) Is Upregulated in Citronellate-Grown Cells and Belongs to the Crotonase Family.
Appl.Environ.Microbiol., 81, 2015
6XQC
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BU of 6xqc by Molmil
UbKEKS
Descriptor: Polyubiquitin-B
Authors:Delattre, P, Letourneau, D, Lavigne, P, Roucou, X, Boisvert, F.M.
Deposit date:2020-07-09
Release date:2021-05-19
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution NMR structure of UbKEKS
To Be Published
4ZVI
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BU of 4zvi by Molmil
GYRASE B IN COMPLEX WITH 4,5-DIBROMOPYRROLAMIDE-BASED INHIBITOR
Descriptor: DNA gyrase subunit B, IODIDE ION, N-(4-{[(4,5-dibromo-1H-pyrrol-2-yl)carbonyl]amino}benzoyl)glycine
Authors:Zidar, N, Macut, H, Tomasic, T, Brvar, M, Montalvao, S, Tammela, P, Solmajer, T, Peterlin Masic, L, Ilas, J, Kikelj, D.
Deposit date:2015-05-18
Release date:2015-07-15
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:N-Phenyl-4,5-dibromopyrrolamides and N-Phenylindolamides as ATP Competitive DNA Gyrase B Inhibitors: Design, Synthesis, and Evaluation.
J.Med.Chem., 58, 2015
5A0E
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BU of 5a0e by Molmil
Crystal structure of cyclophilin D in complex with CsA analogue, JW47.
Descriptor: JW47, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE F, MITOCHONDRIAL
Authors:Warne, J, Pryce, G, Hill, J, Shi, X, Lenneras, F, Puentes, F, Kip, M, Hilditch, L, Walker, P, Simone, M, Chan, A.W.E, Towers, G, Coker, A.R, Duchen, M, Szabadkai, G, Baker, D, Selwood, D.L.
Deposit date:2015-04-19
Release date:2015-12-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Selective Inhibition of the Mitochondrial Permeability Transition Pore Protects Against Neuro-Degeneration in Experimental Multiple Sclerosis.
J.Biol.Chem., 291, 2016

224004

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