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4X1N
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BU of 4x1n by Molmil
The crystal structure of mupain-1-16 in complex with murinised human uPA at pH7.4
Descriptor: Urokinase-type plasminogen activator, mupain-1-16, piperidine-1-carboximidamide
Authors:Jiang, L, Zhao, B, Xu, P, Andreasen, P, Huang, M.
Deposit date:2014-11-25
Release date:2015-03-25
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A cyclic peptidic serine protease inhibitor: increasing affinity by increasing peptide flexibility.
Plos One, 9, 2014
8SDF
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BU of 8sdf by Molmil
Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody CC25.4
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Yuan, M, Wilson, I.A.
Deposit date:2023-04-06
Release date:2024-03-13
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Broadly neutralizing antibodies targeting a conserved silent face of spike RBD resist extreme SARS-CoV-2 antigenic drift.
Biorxiv, 2023
8OLS
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BU of 8ols by Molmil
Structure of Oceanobacillus iheyensis group II intron in the presence of K+, Mg2+ and intronistat B
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Group IIC intron, MAGNESIUM ION, ...
Authors:Silvestri, I, Marcia, M.
Deposit date:2023-03-30
Release date:2024-06-19
Last modified:2024-07-03
Method:X-RAY DIFFRACTION (3 Å)
Cite:Targeting the conserved active site of splicing machines with specific and selective small molecule modulators.
Nat Commun, 15, 2024
6YCX
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BU of 6ycx by Molmil
Plasmodium falciparum Myosin A full-length, pre-powerstroke state
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Myosin A tail domain interacting protein, ...
Authors:Moussaoui, D, Robblee, J.P, Auguin, D, Krementsova, E.B, Robert-Paganin, J, Trybus, K.M, Houdusse, A.
Deposit date:2020-03-19
Release date:2020-11-11
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.99 Å)
Cite:Full-length Plasmodium falciparum myosin A and essential light chain PfELC structures provide new anti-malarial targets.
Elife, 9, 2020
1BBC
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BU of 1bbc by Molmil
STRUCTURE OF RECOMBINANT HUMAN RHEUMATOID ARTHRITIC SYNOVIAL FLUID PHOSPHOLIPASE A2 AT 2.2 ANGSTROMS RESOLUTION
Descriptor: PHOSPHOLIPASE A2
Authors:Wery, J.-P, Schevitz, R.W, Clawson, D.K, Bobbitt, J.L, Dow, E.R, Gamboa, G, Goodsonjunior, T, Hermann, R.B, Kramer, R.M, Mcclure, D.B, Mihelich, E.D, Putnam, J.E, Sharp, J.D, Stark, D.H, Teater, C, Warrick, M.W, Jones, N.D.
Deposit date:1992-05-04
Release date:1993-10-31
Last modified:2019-08-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of recombinant human rheumatoid arthritic synovial fluid phospholipase A2 at 2.2 A resolution.
Nature, 352, 1991
8OM0
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BU of 8om0 by Molmil
Structure of Oceanobacillus iheyensis group II intron in the presence of Na+, Mg2+ and intronistat B
Descriptor: 3,4,5-trihydroxybenzoic acid, Domains 1-5, MAGNESIUM ION, ...
Authors:Silvestri, I, Marcia, M.
Deposit date:2023-03-31
Release date:2024-06-19
Last modified:2024-07-03
Method:X-RAY DIFFRACTION (3.61 Å)
Cite:Targeting the conserved active site of splicing machines with specific and selective small molecule modulators.
Nat Commun, 15, 2024
8F72
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BU of 8f72 by Molmil
Phage P32 gp64- RNA polymerase
Descriptor: MAGNESIUM ION, TPR_REGION domain-containing protein
Authors:Bae, B, Nair, S.K.
Deposit date:2022-11-17
Release date:2023-12-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Thermophage RNA polymerase
To Be Published
8F5M
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BU of 8f5m by Molmil
Crystal structure of P74 gp62
Descriptor: Envelope glycoprotein gp62, MAGNESIUM ION
Authors:Bae, B, Nair, S.K.
Deposit date:2022-11-14
Release date:2024-01-17
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Tail-tape-fused virion and non-virion RNA polymerases of a thermophilic virus with an extremely long tail.
Nat Commun, 15, 2024
8OZM
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BU of 8ozm by Molmil
In situ cryoEM structure of the Prototype Foamy Virus capsid, hexamer 1 localised reconstruction
Descriptor: Gag polyprotein
Authors:Calcraft, T, Nans, A, Rosenthal, P.B.
Deposit date:2023-05-09
Release date:2024-07-10
Last modified:2024-08-21
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Integrated cryoEM structure of a spumaretrovirus reveals cross-kingdom evolutionary relationships and the molecular basis for assembly and virus entry.
Cell, 187, 2024
4WX2
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BU of 4wx2 by Molmil
Crystal structure of Tryptophan Synthase from Salmonella typhimurium in complex with two F6F molecules in the alpha-site and one F6F molecule in the beta-site
Descriptor: 1,2-ETHANEDIOL, 2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATE, DI(HYDROXYETHYL)ETHER, ...
Authors:Hilario, E, Caulkins, B.G, Young, R.P, Niks, D, Dunn, M.F, Mueller, L.J, Fan, L.
Deposit date:2014-11-13
Release date:2015-11-18
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Visualizing the tunnel in tryptophan synthase with crystallography: Insights into a selective filter for accommodating indole and rejecting water.
Biochim.Biophys.Acta, 1864, 2016
8CXM
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BU of 8cxm by Molmil
Cryo-EM structure of the supercoiled E. coli K12 flagellar filament core, Normal waveform
Descriptor: Flagellin
Authors:Sonani, R.R, Kreutzberger, M.A.B, Sebastian, A.L, Scharf, B, Egelman, E.H.
Deposit date:2022-05-21
Release date:2022-09-07
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.21 Å)
Cite:Convergent evolution in the supercoiling of prokaryotic flagellar filaments.
Cell, 185, 2022
4WLU
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BU of 4wlu by Molmil
Crystal structure of L-malate and NAD bound MDH2
Descriptor: (2S)-2-hydroxybutanedioic acid, Malate dehydrogenase, mitochondrial, ...
Authors:Eo, Y.M, Han, B.G, Ahn, H.C.
Deposit date:2014-10-08
Release date:2015-11-25
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Crystal structure of L-malate and NAD bound MDH2
To Be Published
4WLO
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BU of 4wlo by Molmil
Crystal structure of oxaloacetate and NADH bound MDH2
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Malate dehydrogenase, mitochondrial, ...
Authors:Eo, Y.M, Han, B.G, Ahn, H.C.
Deposit date:2014-10-07
Release date:2015-11-25
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of oxaloacetate and NADH bound MDH2
To Be Published
8DF2
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BU of 8df2 by Molmil
The structure of the 'ALT' construct of the Amuc_1438 glycopeptidase
Descriptor: CALCIUM ION, NPCBM/NEW2 domain-containing protein, SODIUM ION, ...
Authors:Medley, B.J, Boraston, A.B.
Deposit date:2022-06-21
Release date:2022-08-31
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:A previously uncharacterized O-glycopeptidase from Akkermansia muciniphila requires the Tn-antigen for cleavage of the peptide bond.
J.Biol.Chem., 298, 2022
6S9P
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BU of 6s9p by Molmil
Designed Armadillo Repeat protein internal Lock2 fused to target peptide KRKAKITWKR
Descriptor: 1,2-ETHANEDIOL, internal Lock2 fused to target peptide KRKAKITWKR
Authors:Ernst, P, Zosel, F, Reichen, C, Schuler, B, Pluckthun, A.
Deposit date:2019-07-15
Release date:2020-02-19
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure-Guided Design of a Peptide Lock for Modular Peptide Binders.
Acs Chem.Biol., 15, 2020
8DEK
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BU of 8dek by Molmil
The structure of the glycopeptidase catalytic domain including the linker of Amuc_1438
Descriptor: 1,2-ETHANEDIOL, NPCBM/NEW2 domain-containing protein, SODIUM ION, ...
Authors:Medley, B.J, Boraston, A.B.
Deposit date:2022-06-20
Release date:2022-08-31
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A previously uncharacterized O-glycopeptidase from Akkermansia muciniphila requires the Tn-antigen for cleavage of the peptide bond.
J.Biol.Chem., 298, 2022
8FCC
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BU of 8fcc by Molmil
HIV-1 Reverse Transcriptase in complex with 5-membered bicyclic core NNRTI
Descriptor: 4-[(9-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}-8-oxo-8,9-dihydro-7H-purin-2-yl)amino]benzonitrile, L(+)-TARTARIC ACID, p51 RT, ...
Authors:Lansdon, E.B.
Deposit date:2022-12-01
Release date:2023-02-01
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Design and Synthesis of Novel HIV-1 NNRTIs with Bicyclic Cores and with Improved Physicochemical Properties.
J.Med.Chem., 66, 2023
5IQP
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BU of 5iqp by Molmil
14-3-3 PROTEIN TAU ISOFORM
Descriptor: 14-3-3 protein theta, SULFATE ION
Authors:Xiao, B, Smerdon, S.J, Gamblin, S.J.
Deposit date:2016-03-11
Release date:2016-03-23
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.602 Å)
Cite:Structure of a 14-3-3 protein and implications for coordination of multiple signalling pathways
Nature, 376, 1995
8FCD
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BU of 8fcd by Molmil
HIV-1 Reverse Transcriptase in complex with 6-membered bicyclic core NNRTI
Descriptor: 4-[(8-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}-6-oxo-5,6,7,8-tetrahydropteridin-2-yl)amino]benzonitrile, L(+)-TARTARIC ACID, p51 RT, ...
Authors:Lansdon, E.B.
Deposit date:2022-12-01
Release date:2023-02-01
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Design and Synthesis of Novel HIV-1 NNRTIs with Bicyclic Cores and with Improved Physicochemical Properties.
J.Med.Chem., 66, 2023
7PXZ
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BU of 7pxz by Molmil
Reduced form of SARS-CoV-2 Main Protease determined by XFEL radiation
Descriptor: 3C-like proteinase nsp5, CHLORIDE ION
Authors:Schubert, R, Reinke, P, Galchenkova, M, Oberthuer, D, Murillo, G.E.P, Kim, C, Bean, R, Turk, D, Hinrichs, W, Middendorf, P, Round, A, Schmidt, C, Mills, G, Kirkwood, H, Han, H, Koliyadu, J, Bielecki, J, Gelisio, L, Sikorski, M, Kloos, M, Vakilii, M, Yefanov, O.N, Vagovic, P, de-Wijn, R, Letrun, R, Guenther, S, White, T.A, Sato, T, Srinivasan, V, Kim, Y, Chretien, A, Han, S, Brognaro, H, Maracke, J, Knoska, J, Seychell, B.C, Brings, L, Norton-Baker, B, Geng, T, Dore, A.S, Uetrecht, C, Redecke, L, Beck, T, Lorenzen, K, Betzel, C, Mancuso, A.P, Bajt, S, Chapman, H.N, Meents, A, Lane, T.J.
Deposit date:2021-10-08
Release date:2023-01-18
Last modified:2024-07-31
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:SARS-CoV-2 M pro responds to oxidation by forming disulfide and NOS/SONOS bonds.
Nat Commun, 15, 2024
1BE0
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BU of 1be0 by Molmil
HALOALKANE DEHALOGENASE AT PH 5.0 CONTAINING ACETIC ACID
Descriptor: ACETATE ION, ACETIC ACID, HALOALKANE DEHALOGENASE
Authors:Ridder, I.S, Vos, G.J, Rozeboom, H.J, Kalk, K.H, Dijkstra, B.W.
Deposit date:1998-05-18
Release date:1998-11-11
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Kinetic analysis and X-ray structure of haloalkane dehalogenase with a modified halide-binding site.
Biochemistry, 37, 1998
7TFB
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BU of 7tfb by Molmil
P. polymyxa GS(14)-Q-GlnR peptide
Descriptor: GLUTAMINE, GlnR C-tail peptide, Glutamine synthetase, ...
Authors:Travis, B.A, Peck, J, Schumacher, M.A.
Deposit date:2022-01-06
Release date:2022-06-29
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (2.28 Å)
Cite:Molecular dissection of the glutamine synthetase-GlnR nitrogen regulatory circuitry in Gram-positive bacteria.
Nat Commun, 13, 2022
4X1Q
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BU of 4x1q by Molmil
The crystal structure of mupain-1 in complex with murinised human uPA at pH7.4
Descriptor: Urokinase-type plasminogen activator, mupain-1
Authors:Jiang, L, Zhao, B, Xu, P, Andreasen, P, Huang, M.
Deposit date:2014-11-25
Release date:2015-03-25
Last modified:2015-11-04
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:A cyclic peptidic serine protease inhibitor: increasing affinity by increasing peptide flexibility.
Plos One, 9, 2014
7AGV
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BU of 7agv by Molmil
High-resolution structure of the K+/H+ antiporter subunit KhtT in complex with c-di-AMP
Descriptor: (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, ACETATE ION, CALCIUM ION, ...
Authors:Cereija, T.B, Guerra, J.P, Morais-Cabral, J.H.
Deposit date:2020-09-23
Release date:2021-03-31
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:c-di-AMP, a likely master regulator of bacterial K + homeostasis machinery, activates a K + exporter.
Proc.Natl.Acad.Sci.USA, 118, 2021
7TF9
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BU of 7tf9 by Molmil
L. monocytogenes GS(14)-Q-GlnR peptide
Descriptor: C-tail peptide of Glutamine synthetase repressor, GLUTAMINE, Glutamine synthetase, ...
Authors:Travis, B.A, Peck, J, Schumacher, M.A.
Deposit date:2022-01-06
Release date:2022-06-29
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (2.61 Å)
Cite:Molecular dissection of the glutamine synthetase-GlnR nitrogen regulatory circuitry in Gram-positive bacteria.
Nat Commun, 13, 2022

224004

數據於2024-08-21公開中

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