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1PZV
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BU of 1pzv by Molmil
Crystal structures of two UBC (E2) enzymes of the ubiquitin-conjugating system in Caenorhabditis elegans
Descriptor: Probable ubiquitin-conjugating enzyme E2-19 kDa
Authors:Schormann, N, Lin, G, Li, S, Symersky, J, Qiu, S, Finley, J, Luo, D, Stanton, A, Carson, M, Luo, M, Southeast Collaboratory for Structural Genomics (SECSG)
Deposit date:2003-07-14
Release date:2003-07-22
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Crystal structures of two UBC (E2) enzymes of the ubiquitin-conjugating system in Caenorhabditis elegans
To be Published
4RC5
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BU of 4rc5 by Molmil
Crystal structure of cyanobacterial aldehyde-deformylating oxygenase
Descriptor: Aldehyde decarbonylase, FE (II) ION, HEXADECAN-1-OL
Authors:Jia, C.J, Li, M, Chang, W.R.
Deposit date:2014-09-14
Release date:2014-12-17
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural insights into the catalytic mechanism of aldehyde-deformylating oxygenases.
Protein Cell, 6, 2015
2PWX
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BU of 2pwx by Molmil
Crystal structure of G11A mutant of SARS-CoV 3C-like protease
Descriptor: 3C-like proteinase
Authors:Chen, S, Hu, T, Jiang, H, Shen, X.
Deposit date:2007-05-14
Release date:2007-10-30
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Mutation of Gly-11 on the dimer interface results in the complete crystallographic dimer dissociation of severe acute respiratory syndrome coronavirus 3C-like protease: crystal structure with molecular dynamics simulations.
J.Biol.Chem., 283, 2008
4MC7
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BU of 4mc7 by Molmil
Crystal structure of a subtype N11 neuraminidase-like protein of A/flat-faced bat/Peru/033/2010 (H18N11)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, NEURAMINIDASE
Authors:Yang, H, Carney, P.J, Chang, J.C, Guo, Z, Stevens, J.
Deposit date:2013-08-21
Release date:2013-10-23
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.99 Å)
Cite:New world bats harbor diverse influenza a viruses.
Plos Pathog., 9, 2013
5EIG
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BU of 5eig by Molmil
Engineered human cystathionine gamma lyase (E59T, E339V) to deplet cysteine
Descriptor: CYSTEINE, Cystathionine gamma-lyase, SULFATE ION
Authors:Yan, W, Zhang, J.
Deposit date:2015-10-29
Release date:2016-11-09
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Systemic Depletion of Serum L-Cyst(e)ine with an Engineered Human Enzyme Mediates Potent Induction of ROS and Cancer Ablation
To Be Published
4RC8
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BU of 4rc8 by Molmil
Crystal structure of cyanobacterial aldehyde-deformylating oxygenase bound with fatty acid
Descriptor: Aldehyde decarbonylase, FE (III) ION, STEARIC ACID
Authors:Jia, C.J, Li, M, Chang, W.R.
Deposit date:2014-09-14
Release date:2014-12-17
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Structural insights into the catalytic mechanism of aldehyde-deformylating oxygenases.
Protein Cell, 6, 2015
6KDY
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BU of 6kdy by Molmil
Crystal structure of the alpha bata heterodimer of human IDH3 in complex with NAD.
Descriptor: 1-DEOXY-1-THIO-HEPTAETHYLENE GLYCOL, HEXAETHYLENE GLYCOL, Isocitrate dehydrogenase [NAD] subunit alpha, ...
Authors:Sun, P, Ding, J.
Deposit date:2019-07-03
Release date:2019-09-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.02 Å)
Cite:Molecular basis for the function of the alpha beta heterodimer of human NAD-dependent isocitrate dehydrogenase.
J.Biol.Chem., 294, 2019
5E54
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BU of 5e54 by Molmil
Two apo structures of the adenine riboswitch aptamer domain determined using an X-ray free electron laser
Descriptor: MAGNESIUM ION, Vibrio vulnificus strain 93U204 chromosome II, adenine riboswitch aptamer domain
Authors:Stagno, J.R, Wang, Y.-X, Liu, Y, Bhandari, Y.R, Conrad, C.E, Nelson, G, Li, C, Wendel, D.R, White, T.A, Barty, A, Tuckey, R.A, Zatsepin, N.A, Grant, T.D, Fromme, P, Tan, K, Ji, X, Spence, J.C.H.
Deposit date:2015-10-07
Release date:2016-11-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structures of riboswitch RNA reaction states by mix-and-inject XFEL serial crystallography.
Nature, 541, 2017
4DNW
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BU of 4dnw by Molmil
Crystal structure of UVB-resistance protein UVR8
Descriptor: AT5g63860/MGI19_6
Authors:Wu, D, Hu, Q, Yan, Z, Chen, W, Yan, C, Wang, J, Shi, Y.
Deposit date:2012-02-09
Release date:2012-03-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.773 Å)
Cite:Structural basis of ultraviolet-B perception by UVR8.
Nature, 484, 2012
6KE3
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BU of 6ke3 by Molmil
Crystal structure of the alpha bata heterodimer of human IDH3 in complex with NADH
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Isocitrate dehydrogenase [NAD] subunit alpha, mitochondrial, ...
Authors:Sun, P, Ding, J.
Deposit date:2019-07-03
Release date:2019-09-25
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (3.307 Å)
Cite:Molecular basis for the function of the alpha beta heterodimer of human NAD-dependent isocitrate dehydrogenase.
J.Biol.Chem., 294, 2019
6KDF
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BU of 6kdf by Molmil
Crystal structure of the alpha beta heterodimer of human IDH3 in APO form.
Descriptor: Isocitrate dehydrogenase [NAD] subunit alpha, mitochondrial, Isocitrate dehydrogenase [NAD] subunit beta
Authors:Sun, P, Ding, J.
Deposit date:2019-07-02
Release date:2019-09-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Molecular basis for the function of the alpha beta heterodimer of human NAD-dependent isocitrate dehydrogenase.
J.Biol.Chem., 294, 2019
4K3X
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BU of 4k3x by Molmil
Crystal structure of a subtype H18 hemagglutinin homologue from A/flat-faced bat/Peru/033/2010 (H18N11)
Descriptor: 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zhu, X, Wilson, I.A.
Deposit date:2013-04-11
Release date:2013-10-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.149 Å)
Cite:New world bats harbor diverse influenza a viruses.
Plos Pathog., 9, 2013
6KDE
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BU of 6kde by Molmil
Crystal structure of the alpha beta heterodimer of human IDH3 in complex with Ca(2+)
Descriptor: CALCIUM ION, Isocitrate dehydrogenase [NAD] subunit alpha, mitochondrial, ...
Authors:Sun, P, Ding, J.
Deposit date:2019-07-02
Release date:2019-09-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.999 Å)
Cite:Molecular basis for the function of the alpha beta heterodimer of human NAD-dependent isocitrate dehydrogenase.
J.Biol.Chem., 294, 2019
4K3Y
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BU of 4k3y by Molmil
Crystal structure of a subtype N11 neuraminidase-like protein of A/flat-faced bat/Peru/033/2010 (H18N11)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zhu, X, Wilson, I.A.
Deposit date:2013-04-11
Release date:2013-10-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.682 Å)
Cite:New world bats harbor diverse influenza a viruses.
Plos Pathog., 9, 2013
7JUP
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BU of 7jup by Molmil
Structure of human TRPA1 in complex with antagonist compound 21
Descriptor: 1-({3-[(3R,5R)-5-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl}methyl)-7-methyl-1,7-dihydro-6H-purin-6-one, Transient receptor potential cation channel subfamily A member 1
Authors:Rohou, A, Rouge, L.
Deposit date:2020-08-20
Release date:2021-03-31
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.05 Å)
Cite:Tetrahydrofuran-Based Transient Receptor Potential Ankyrin 1 (TRPA1) Antagonists: Ligand-Based Discovery, Activity in a Rodent Asthma Model, and Mechanism-of-Action via Cryogenic Electron Microscopy.
J.Med.Chem., 64, 2021
5IFG
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BU of 5ifg by Molmil
Crystal structure of HigA-HigB complex from E. Coli
Descriptor: Antitoxin HigA, mRNA interferase HigB
Authors:Yang, J.S, Zhou, K, Gao, z.Q, Liu, Q.S, Dong, Y.H.
Deposit date:2016-02-26
Release date:2017-03-01
Method:X-RAY DIFFRACTION (2.702 Å)
Cite:Structural insight into the E. coli HigBA complex
Biochem. Biophys. Res. Commun., 478, 2016
3FH7
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BU of 3fh7 by Molmil
Leukotriene A4 Hydrolase complexed with inhibitor 4-[(2S)-2-{[4-(4-chlorophenoxy)phenoxy]methyl}pyrrolidin-1-yl]butanoate.
Descriptor: 4-[(2S)-2-{[4-(4-chlorophenoxy)phenoxy]methyl}pyrrolidin-1-yl]butanoate, ACETATE ION, GLYCEROL, ...
Authors:Mamat, B, Davies, D.R.
Deposit date:2008-12-08
Release date:2010-01-05
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Discovery of 4-[(2S)-2-{[4-(4-chlorophenoxy)phenoxy]methyl}-1-pyrrolidinyl]butanoic acid (DG-051) as a novel leukotriene A4 hydrolase inhibitor of leukotriene B4 biosynthesis.
J.Med.Chem., 53, 2010
3FH5
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BU of 3fh5 by Molmil
Leukotriene A4 Hydrolase complexed with inhibitor (2R)-2-[(4-benzylphenoxy)methyl]pyrrolidine.
Descriptor: (2R)-2-[(4-benzylphenoxy)methyl]pyrrolidine, ACETATE ION, GLYCEROL, ...
Authors:Mamat, B, Davies, D.R.
Deposit date:2008-12-08
Release date:2010-01-05
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Discovery of 4-[(2S)-2-{[4-(4-chlorophenoxy)phenoxy]methyl}-1-pyrrolidinyl]butanoic acid (DG-051) as a novel leukotriene A4 hydrolase inhibitor of leukotriene B4 biosynthesis.
J.Med.Chem., 53, 2010
7YW0
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BU of 7yw0 by Molmil
Bacteroides fragilis Hcp5
Descriptor: Bacterodales T6SS protein TssD (Hcp)
Authors:Wen, Y, He, W, Bai, Y.
Deposit date:2022-08-20
Release date:2023-08-30
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Structure and assembly of type VI secretion system cargo delivery vehicle.
Cell Rep, 42, 2023
3FH8
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BU of 3fh8 by Molmil
Leukotriene A4 Hydrolase complexed with inhibitor 1-[2-(4-benzylphenoxy)ethyl]pyrrolidine.
Descriptor: 1-[2-(4-benzylphenoxy)ethyl]pyrrolidine, ACETATE ION, IMIDAZOLE, ...
Authors:Mamat, B, Davies, D.R.
Deposit date:2008-12-09
Release date:2010-01-05
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Discovery of 4-[(2S)-2-{[4-(4-chlorophenoxy)phenoxy]methyl}-1-pyrrolidinyl]butanoic acid (DG-051) as a novel leukotriene A4 hydrolase inhibitor of leukotriene B4 biosynthesis.
J.Med.Chem., 53, 2010
5X57
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BU of 5x57 by Molmil
Structure of GAR domain of ACF7
Descriptor: Microtubule-actin cross-linking factor 1, isoforms 1/2/3/5, NICKEL (II) ION
Authors:Yang, F, Wang, T, Zhang, Y, Wu, X.Y.
Deposit date:2017-02-15
Release date:2017-07-05
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:ACF7 regulates inflammatory colitis and intestinal wound response by orchestrating tight junction dynamics.
Nat Commun, 8, 2017
4MQU
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BU of 4mqu by Molmil
Human GKRP complexed to AMG-3969 and S6P
Descriptor: 2-{4-[(2S)-4-[(6-aminopyridin-3-yl)sulfonyl]-2-(prop-1-yn-1-yl)piperazin-1-yl]phenyl}-1,1,1,3,3,3-hexafluoropropan-2-ol, D-SORBITOL-6-PHOSPHATE, GLYCEROL, ...
Authors:St Jean, D.J, Ashton, K.S, Bartberger, M.D, Chen, J, Chmait, S, Cupples, R, Galbreath, E, Helmering, J, Jordan, S.R, Liu, L.
Deposit date:2013-09-16
Release date:2014-05-07
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Small molecule disruptors of the glucokinase-glucokinase regulatory protein interaction: 2. Leveraging structure-based drug design to identify analogues with improved pharmacokinetic profiles.
J.Med.Chem., 57, 2014
7E9Q
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BU of 7e9q by Molmil
Cryo-EM structure of the SARS-CoV-2 S-6P in complex with 35B5 Fab(1 out RBD, state3)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of 35B5 Fab, Light chain of 35B5 Fab, ...
Authors:Wang, X.F, Zhu, Y.Q.
Deposit date:2021-03-04
Release date:2022-03-09
Last modified:2022-09-21
Method:ELECTRON MICROSCOPY (3.65 Å)
Cite:A potent human monoclonal antibody with pan-neutralizing activities directly dislocates S trimer of SARS-CoV-2 through binding both up and down forms of RBD
Signal Transduct Target Ther, 7, 2022
7E9O
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BU of 7e9o by Molmil
Cryo-EM structure of the SARS-CoV-2 S-6P in complex with 35B5 Fab(3 up RBDs, state2)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of 35B5 Fab, Light chain of 35B5 Fab, ...
Authors:Wang, X.F, Zhu, Y.Q.
Deposit date:2021-03-04
Release date:2022-03-09
Last modified:2022-09-21
Method:ELECTRON MICROSCOPY (3.41 Å)
Cite:A potent human monoclonal antibody with pan-neutralizing activities directly dislocates S trimer of SARS-CoV-2 through binding both up and down forms of RBD
Signal Transduct Target Ther, 7, 2022
7E9P
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BU of 7e9p by Molmil
Cryo-EM structure of the SARS-CoV-2 S-6P in complex with 35B5 Fab(state2, local refinement of the RBD and 35B5 Fab)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of 35B5 Fab, Light chain of 35B5 Fab, ...
Authors:Wang, X.F, Zhu, Y.Q.
Deposit date:2021-03-04
Release date:2022-03-23
Last modified:2022-09-21
Method:ELECTRON MICROSCOPY (3.69 Å)
Cite:A potent human monoclonal antibody with pan-neutralizing activities directly dislocates S trimer of SARS-CoV-2 through binding both up and down forms of RBD
Signal Transduct Target Ther, 7, 2022

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