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4FPW
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BU of 4fpw by Molmil
Crystal Structure of CalU16 from Micromonospora echinospora. Northeast Structural Genomics Consortium Target MiR12.
Descriptor: CalU16
Authors:Seetharaman, J, Lew, S, Janjua, H, Xiao, R, Acton, T.B, Everett, J.K, Phillips Jr, G.N, Kennedy, M.A, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2012-06-22
Release date:2012-12-12
Last modified:2014-11-12
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure-Guided Functional Characterization of Enediyne Self-Sacrifice Resistance Proteins, CalU16 and CalU19.
Acs Chem.Biol., 9, 2014
6IKM
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BU of 6ikm by Molmil
Crystal structure of SpuE-Spermidine in complex with ScFv5
Descriptor: Polyamine transport protein, SPERMIDINE, SULFATE ION, ...
Authors:Wu, D, Sun, X.
Deposit date:2018-10-16
Release date:2019-12-25
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (3.398 Å)
Cite:A Potent Anti-SpuE Antibody Allosterically Inhibits Type III Secretion System and Attenuates Virulence of Pseudomonas Aeruginosa.
J.Mol.Biol., 431, 2019
4LYN
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BU of 4lyn by Molmil
Crystal structure of cyclin-dependent kinase 2 (cdk2-wt) complex with (2s)-n-(5-(((5-tert-butyl-1,3-oxazol-2-yl)methyl)sulfanyl)-1,3-thiazol-2-yl)-2-phenylpropanamide
Descriptor: (2S)-N-(5-{[(5-tert-butyl-1,3-oxazol-2-yl)methyl]sulfanyl}-1,3-thiazol-2-yl)-2-phenylpropanamide, Cyclin-dependent kinase 2
Authors:Sack, J.S.
Deposit date:2013-07-31
Release date:2013-10-02
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of Aminothiazole Inhibitors of Cyclin-Dependent Kinase 2: Synthesis, X-Ray Crystallographic Analysis, and Biological Activities
J.Med.Chem., 45, 2002
7CHC
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BU of 7chc by Molmil
Crystal structure of the SARS-CoV-2 S RBD in complex with BD-629 Fab and BD-368-2 Fab
Descriptor: BD-368-2 Fab H, BD-368-2 Fab L, BD-629 Fab H, ...
Authors:Du, S, Xiao, J.Y.
Deposit date:2020-07-05
Release date:2020-09-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Structurally Resolved SARS-CoV-2 Antibody Shows High Efficacy in Severely Infected Hamsters and Provides a Potent Cocktail Pairing Strategy.
Cell, 183, 2020
7CH5
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BU of 7ch5 by Molmil
Crystal structure of the SARS-CoV-2 S RBD in complex with BD-629 Fab
Descriptor: BD-629 Fab H, BD-629 Fab L, Spike protein S1
Authors:Du, S, Xiao, J.Y.
Deposit date:2020-07-05
Release date:2020-09-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structurally Resolved SARS-CoV-2 Antibody Shows High Efficacy in Severely Infected Hamsters and Provides a Potent Cocktail Pairing Strategy.
Cell, 183, 2020
4KG7
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BU of 4kg7 by Molmil
Structure of MycP3 protease from the type VII (ESX-3) secretion system.
Descriptor: CHLORIDE ION, Peptidase S8 and S53, subtilisin, ...
Authors:Korotkov, K.V, Evans, T.J.
Deposit date:2013-04-28
Release date:2013-06-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Understanding specificity of the mycosin proteases in ESX/type VII secretion by structural and functional analysis.
J.Struct.Biol., 184, 2013
4C46
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BU of 4c46 by Molmil
ANDREI-N-LVPAS fused to GCN4 adaptors
Descriptor: BROMIDE ION, GENERAL CONTROL PROTEIN GCN4
Authors:Albrecht, R, Alva, V, Ammelburg, M, Baer, K, Basina, E, Boichenko, I, Bonhoeffer, F, Braun, V, Chaubey, M, Chauhan, N, Chellamuthu, V.R, Coles, M, Deiss, S, Ewers, C.P, Forouzan, D, Fuchs, A, Groemping, Y, Hartmann, M.D, Hernandez Alvarez, B, Jeganantham, A, Kalev, I, Koenninger, U, Koiwai, K, Kopec, K.O, Korycinski, M, Laudenbach, B, Lehmann, K, Leo, J.C, Linke, D, Marialke, J, Martin, J, Mechelke, M, Michalik, M, Noll, A, Patzer, S.I, Scharfenberg, F, Schueckel, M, Shahid, S.A, Sulz, E, Ursinus, A, Wuertenberger, S, Zhu, H.
Deposit date:2013-08-30
Release date:2013-09-11
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Your Personalized Protein Structure: Andrei N. Lupas Fused to GCN4 Adaptors.
J.Struct.Biol., 186, 2014
6ASY
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BU of 6asy by Molmil
BiP-ATP2
Descriptor: 78 kDa glucose-regulated protein, ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, ...
Authors:Liu, Q, Yang, J, Zong, Y, Columbus, L, Zhou, L.
Deposit date:2017-08-26
Release date:2017-12-06
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Conformation transitions of the polypeptide-binding pocket support an active substrate release from Hsp70s.
Nat Commun, 8, 2017
7CH4
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BU of 7ch4 by Molmil
Crystal structure of the SARS-CoV-2 S RBD in complex with BD-604 Fab
Descriptor: BD-604 Fab H, BD-604 Fab L, Spike protein S1
Authors:Du, S, Xiao, J.Y.
Deposit date:2020-07-05
Release date:2020-09-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Structurally Resolved SARS-CoV-2 Antibody Shows High Efficacy in Severely Infected Hamsters and Provides a Potent Cocktail Pairing Strategy.
Cell, 183, 2020
4RL1
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BU of 4rl1 by Molmil
Structural and functional analysis of a loading acyltransferase from the avermectin modular polyketide synthase
Descriptor: Type I polyketide synthase AVES 1
Authors:Wang, F, Wang, Y, Zheng, J.
Deposit date:2014-10-15
Release date:2015-01-28
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and functional analysis of the loading acyltransferase from avermectin modular polyketide synthase.
Acs Chem.Biol., 10, 2015
6KSQ
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BU of 6ksq by Molmil
Middle Domain of Human HSP90 Alpha
Descriptor: Heat shock protein HSP 90-alpha
Authors:Su, H.X, Zhou, C, Zhang, N.X, Xu, Y.C.
Deposit date:2019-08-25
Release date:2020-02-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.202 Å)
Cite:Allosteric Regulation of Hsp90 alpha's Activity by Small Molecules Targeting the Middle Domain of the Chaperone.
Iscience, 23, 2020
8IM0
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BU of 8im0 by Molmil
mCherry-LaM8 complex
Descriptor: LaM8, MCherry fluorescent protein
Authors:Liang, H, Liu, R, Ding, Y.
Deposit date:2023-03-05
Release date:2023-06-21
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:Structural Insights into the Binding of Red Fluorescent Protein mCherry-Specific Nanobodies.
Int J Mol Sci, 24, 2023
8ILX
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BU of 8ilx by Molmil
mCherry-LaM3 complex
Descriptor: LAM3, MCherry fluorescent protein
Authors:Liang, H, Liu, R, Ding, Y.
Deposit date:2023-03-05
Release date:2023-06-21
Method:X-RAY DIFFRACTION (3.29 Å)
Cite:Structural Insights into the Binding of Red Fluorescent Protein mCherry-Specific Nanobodies.
Int J Mol Sci, 24, 2023
8IM1
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BU of 8im1 by Molmil
mCherry-LaM1 complex
Descriptor: LaM1, MCherry fluorescent protein, SULFATE ION
Authors:Liang, H, Liu, R, Ding, Y.
Deposit date:2023-03-05
Release date:2023-06-21
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural Insights into the Binding of Red Fluorescent Protein mCherry-Specific Nanobodies.
Int J Mol Sci, 24, 2023
7WP6
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BU of 7wp6 by Molmil
Cryo-EM structure of SARS-CoV-2 recombinant spike protein STFK in complex with three neutralizing antibodies
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 36H6 heavy chain, ...
Authors:Zheng, Q, Sun, H, Yuan, Q, Li, S, Xia, N.
Deposit date:2022-01-23
Release date:2023-03-01
Last modified:2023-09-13
Method:ELECTRON MICROSCOPY (3.81 Å)
Cite:Lineage-mosaic and mutation-patched spike proteins for broad-spectrum COVID-19 vaccine.
Cell Host Microbe, 30, 2022
7WP8
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BU of 7wp8 by Molmil
Cryo-EM structure of SARS-CoV-2 recombinant spike protein STFK1628x in complex with three neutralizing antibodies
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2B4 heavy chain, ...
Authors:Zheng, Q, Sun, H, Yuan, Q, Li, S, Xia, N.
Deposit date:2022-01-23
Release date:2023-03-08
Last modified:2023-09-13
Method:ELECTRON MICROSCOPY (3.88 Å)
Cite:Lineage-mosaic and mutation-patched spike proteins for broad-spectrum COVID-19 vaccine.
Cell Host Microbe, 30, 2022
5ULA
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BU of 5ula by Molmil
Crystal Structure of the First Bromodomain of Human BRD4 in Complex With Cyclic Vinylogous Amide Inhibitor MS402
Descriptor: 3-chloranyl-~{N}-(4-methoxyphenyl)-4-[(2-methyl-3-oxidanylidene-cyclopenten-1-yl)amino]benzamide, Bromodomain-containing protein 4
Authors:Plotnikov, A.N, Joshua, j, Zhou, M.-M.
Deposit date:2017-01-24
Release date:2017-03-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:BET N-terminal bromodomain inhibition selectively blocks Th17 cell differentiation and ameliorates colitis in mice.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
8OL9
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BU of 8ol9 by Molmil
Anti-FIXa Fab in complex with human des-(Gla-EGF1) FIXa
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, Coagulation factor IX heavy chain, ...
Authors:Johansson, E, Svensson, L.A.
Deposit date:2023-03-30
Release date:2023-07-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Computational design of N-linked glycans for high throughput epitope profiling.
Protein Sci., 32, 2023
4HVL
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BU of 4hvl by Molmil
Structure of a serine protease MycP1, an essential component of the type VII (ESX-1) secretion system
Descriptor: ACETATE ION, CHLORIDE ION, IMIDAZOLE, ...
Authors:Korotkov, K.V, Evans, T.J.
Deposit date:2012-11-06
Release date:2013-05-08
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Understanding specificity of the mycosin proteases in ESX/type VII secretion by structural and functional analysis.
J.Struct.Biol., 184, 2013
2QZK
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BU of 2qzk by Molmil
Crystal structure of human Beta Secretase complexed with I21
Descriptor: 2-[(5R)-5-amino-5-methyl-4,16-dioxo-14-phenyl-3-oxa-15-azatricyclo[15.3.1.1~7,11~]docosa-1(21),7(22),8,10,12,14,17,19-octaen-19-yl]benzonitrile, Beta-secretase 1
Authors:Munshi, S.
Deposit date:2007-08-16
Release date:2008-04-29
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Strategies toward improving the brain penetration of macrocyclic tertiary carbinamine BACE-1 inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
8GJT
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BU of 8gjt by Molmil
Crystal Structure of HIV-1 LM/HT Clade A/E CRF01 GP120 Core in Complex with TFH-I-116-D1
Descriptor: (3S)-N-(4-chloro-3-fluorophenyl)-1-[(3R,5S)-3,4,5-trimethylpiperazine-1-carbonyl]piperidine-3-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Tolbert, W.D, Nguyen, D.N, Pazgier, M.
Deposit date:2023-03-16
Release date:2023-06-07
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Piperidine CD4-Mimetic Compounds Expose Vulnerable Env Epitopes Sensitizing HIV-1-Infected Cells to ADCC.
Viruses, 15, 2023
5WDE
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BU of 5wde by Molmil
Crystal structure of the KIFC3 motor domain in complex with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein KIFC3, MAGNESIUM ION, ...
Authors:Shen, Y, Tempel, W, Landry, R, Arrowsmith, C.H, Edwards, A.M, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2017-07-05
Release date:2017-08-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural basis of small molecule ATPase inhibition of a human mitotic kinesin motor protein.
Sci Rep, 7, 2017
5TEG
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BU of 5teg by Molmil
Crystal structure of hSETD8 in complex with histone H4K20 norleucine mutant peptide and S-Adenosylmethionine
Descriptor: Histone H4 mutant peptide with H4K20norleucine, N-lysine methyltransferase KMT5A, S-ADENOSYLMETHIONINE
Authors:Judge, R.A, Petros, A.M.
Deposit date:2016-09-21
Release date:2016-12-07
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Turning a Substrate Peptide into a Potent Inhibitor for the Histone Methyltransferase SETD8.
ACS Med Chem Lett, 7, 2016
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
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

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