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4TQX
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BU of 4tqx by Molmil
Molecular Basis of Streptococcus mutans Sortase A Inhibition by Chalcone.
Descriptor: ACETIC ACID, SULFATE ION, Sortase, ...
Authors:Wallock-Richards, D.J, Marles-Wright, J, Clarke, D.J, Maitra, A, Dodds, M, Hanley, B, Campopiano, D.J.
Deposit date:2014-06-12
Release date:2015-05-20
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Molecular basis of Streptococcus mutans sortase A inhibition by the flavonoid natural product trans-chalcone.
Chem.Commun.(Camb.), 51, 2015
6VWA
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BU of 6vwa by Molmil
C-terminal regulatory domain of the chloride transporter KCC-1 from C. elegans
Descriptor: DI(HYDROXYETHYL)ETHER, K+/Cl-Cotransporter, TETRAETHYLENE GLYCOL, ...
Authors:Zimanyi, C.M, Cheung, J.
Deposit date:2020-02-19
Release date:2020-07-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.196 Å)
Cite:Structure of the Regulatory Cytosolic Domain of a Eukaryotic Potassium-Chloride Cotransporter.
Structure, 28, 2020
7JI4
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BU of 7ji4 by Molmil
Universal stress protein (USP) domain of KdpD histidine kinase in complex with second messenger 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, KdpD
Authors:Dutta, A, Parashar, V.
Deposit date:2020-07-22
Release date:2021-05-26
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis of KdpD histidine kinase binding to the second messenger c-di-AMP.
J.Biol.Chem., 296, 2021
8BU0
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BU of 8bu0 by Molmil
Crystal structure of an 8 repeat consensus TPR superhelix with calcium
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, CALCIUM ION, ...
Authors:Liutkus, M, Rojas, A.L, Cortajarena, A.L.
Deposit date:2022-11-30
Release date:2023-12-13
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Diverse crystalline protein scaffolds through metal-dependent polymorphism.
Protein Sci., 33, 2024
6OPJ
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BU of 6opj by Molmil
Menin in complex with peptide inhibitor 25
Descriptor: DIMETHYL SULFOXIDE, Menin, Peptide inhibitor 25, ...
Authors:Linhares, B.M, Fortuna, P, Cierpicki, T, Grembecka, J, Berlicki, L.
Deposit date:2019-04-25
Release date:2020-09-02
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.5006572 Å)
Cite:Covalent and noncovalent constraints yield a figure eight-like conformation of a peptide inhibiting the menin-MLL interaction.
Eur.J.Med.Chem., 207, 2020
5JBG
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BU of 5jbg by Molmil
Crystal structure of chicken LGP2 with 5'ppp 26-mer hairpin RNA with 3' GG overhang and ADP-AlF4-Mg2+ at 2.0 A resolution.
Descriptor: ADENOSINE-5'-DIPHOSPHATE, LGP2, MAGNESIUM ION, ...
Authors:Cusack, S, Uchikawa, E.
Deposit date:2016-04-13
Release date:2016-06-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Analysis of dsRNA Binding to Anti-viral Pattern Recognition Receptors LGP2 and MDA5.
Mol.Cell, 62, 2016
4WKC
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BU of 4wkc by Molmil
Crystal structure of Escherichia coli 5'-methylthioadenosine/S-adenosyl homocysteine nucleosidase (MTAN) complexed with butylthio-DADMe-Immucillin-A
Descriptor: (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(butylsulfanyl)methyl]pyrrolidin-3-ol, 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase, TETRAETHYLENE GLYCOL
Authors:Cameron, S.A, Thomas, K, Almo, S.C, Schramm, V.L.
Deposit date:2014-10-02
Release date:2015-08-19
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Active site and remote contributions to catalysis in methylthioadenosine nucleosidases.
Biochemistry, 54, 2015
4WL9
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BU of 4wl9 by Molmil
Time Resolved Serial Femtosecond Crystallography Captures High Resolution Intermediates of PYP
Descriptor: 4'-HYDROXYCINNAMIC ACID, Photoactive yellow protein
Authors:Tenboer, J, Schmidt, M.
Deposit date:2014-10-06
Release date:2014-12-17
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Time-resolved serial crystallography captures high-resolution intermediates of photoactive yellow protein.
Science, 346, 2014
8BBX
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BU of 8bbx by Molmil
Structure of prolyl endoprotease from Aspergillus niger CBS 109712 in space group C222(1)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Endoprotease endo-Pro, TETRAETHYLENE GLYCOL, ...
Authors:Pijning, T, Vujicic-Zagar, A, Van der Laan, J.M, De Jong, R.M, Dijkstra, B.W.
Deposit date:2022-10-14
Release date:2023-12-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural and time-resolved mechanistic investigations of protein hydrolysis by the acidic proline-specific endoprotease from Aspergillus niger.
Protein Sci., 33, 2024
5JAU
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BU of 5jau by Molmil
Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Discovered Through X-Ray Fragment Screening
Descriptor: (2S)-3-(3-{[4-(2-aminoethoxy)-2',6-dimethyl[1,1'-biphenyl]-3-yl]amino}-1H-pyrazol-1-yl)-2-methoxypropan-1-ol, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Day, P.J.
Deposit date:2016-04-12
Release date:2016-05-25
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Discovered through X-ray Fragment Screening.
J.Med.Chem., 59, 2016
5JCP
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BU of 5jcp by Molmil
RhoGAP domain of ARAP3 in complex with RhoA in the transition state
Descriptor: Arf-GAP with Rho-GAP domain, ANK repeat and PH domain-containing protein 3,Linker,Transforming protein RhoA, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Bao, H, Li, F, Wang, C, Wang, N, Jiang, Y, Tang, Y, Wu, J, Shi, Y.
Deposit date:2016-04-15
Release date:2016-06-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Basis for the Specific Recognition of RhoA by the Dual GTPase-activating Protein ARAP3
J.Biol.Chem., 291, 2016
8OX6
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BU of 8ox6 by Molmil
Cryo-EM structure of ATP8B1-CDC50A in E1P conformation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Cell cycle control protein 50A, MAGNESIUM ION, ...
Authors:Dieudonne, T, Kummerer, F, Juknaviciute Laursen, M, Stock, C, Kock Flygaard, R, Khalid, S, Lenoir, G, Lyons, J.A, Lindorff-Larsen, K, Nissen, P.
Deposit date:2023-05-01
Release date:2023-11-29
Method:ELECTRON MICROSCOPY (2.39 Å)
Cite:Activation and substrate specificity of the human P4-ATPase ATP8B1.
Nat Commun, 14, 2023
8B57
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BU of 8b57 by Molmil
Structure of prolyl endoprotease from Aspergillus niger CBS 109712
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ...
Authors:Pijning, T, Vujicic-Zagar, A, Van der Laan, J.M, De Jong, R.M, Dijkstra, B.W.
Deposit date:2022-09-22
Release date:2023-12-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Structural and time-resolved mechanistic investigations of protein hydrolysis by the acidic proline-specific endoprotease from Aspergillus niger.
Protein Sci., 33, 2024
8OX5
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BU of 8ox5 by Molmil
Cryo-EM structure of ATP8B1-CDC50A in E1P-ADP conformation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE-5'-DIPHOSPHATE, Cell cycle control protein 50A, ...
Authors:Dieudonne, T, Kummerer, F, Juknaviciute Laursen, M, Stock, C, Kock Flygaard, R, Khalid, S, Lenoir, G, Lyons, J.A, Lindorff-Larsen, K, Nissen, P.
Deposit date:2023-05-01
Release date:2023-11-29
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Activation and substrate specificity of the human P4-ATPase ATP8B1.
Nat Commun, 14, 2023
6VLG
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BU of 6vlg by Molmil
Crystal structure of mouse alpha 1,6-fucosyltransferase, FUT8 bound to GDP
Descriptor: Alpha-(1,6)-fucosyltransferase, GUANOSINE-5'-DIPHOSPHATE, SULFATE ION, ...
Authors:Jarva, M.A, Dramicanin, M, Lingford, J.P, Mao, R, John, A, Goddard-Borger, E.D.
Deposit date:2020-01-23
Release date:2020-02-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis of substrate recognition and catalysis by fucosyltransferase 8.
J.Biol.Chem., 295, 2020
6NLK
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BU of 6nlk by Molmil
1.85 A resolution structure of WT BfrB from Pseudomonas aeruginosa in complex with a protein-protein interaction inhibitor (analog 13)
Descriptor: 4-{[3-(4-hydroxyphenyl)propyl]amino}-1H-isoindole-1,3(2H)-dione, FE (II) ION, Ferroxidase, ...
Authors:Lovell, S, Punchi-Hewage, A, Battaile, K.P, Yao, H, Nammalwar, B, Gnanasekaran, K.K, Bunce, R.A, Reitz, A.B, Rivera, M.
Deposit date:2019-01-08
Release date:2019-05-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Small Molecule Inhibitors of the BfrB-Bfd Interaction Decrease Pseudomonas aeruginosa Fitness and Potentiate Fluoroquinolone Activity.
J.Am.Chem.Soc., 141, 2019
5J5O
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BU of 5j5o by Molmil
Translation initiation factor 4E in complex with m7GppppG mRNA 5' cap analog
Descriptor: 5'-O-[(R)-hydroxy{[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]oxy}phosphoryl]-7-methylguanosine, Eukaryotic translation initiation factor 4E, GLYCEROL
Authors:Warminski, M, Nowak, E, Rydzik, A.M, Kowalska, J, Jemielity, J, Nowotny, M.
Deposit date:2016-04-03
Release date:2017-05-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.867 Å)
Cite:mRNA cap analogues substituted in the tetraphosphate chain with CX2: identification of O-to-CCl2 as the first bridging modification that confers resistance to decapping without impairing translation.
Nucleic Acids Res., 45, 2017
8P1X
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BU of 8p1x by Molmil
TarM(Se)_G117R-UDP-glucose
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, PHOSPHATE ION, ...
Authors:Guo, Y, Stehle, T.
Deposit date:2023-05-13
Release date:2023-12-06
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Invasive Staphylococcus epidermidis uses a unique processive wall teichoic acid glycosyltransferase to evade immune recognition.
Sci Adv, 9, 2023
5J60
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BU of 5j60 by Molmil
Structure of a thioredoxin reductase from Gloeobacter violaceus
Descriptor: CALCIUM ION, FLAVIN-ADENINE DINUCLEOTIDE, TETRAETHYLENE GLYCOL, ...
Authors:Buey, R.M, de Pereda, J.M, Balsera, M.
Deposit date:2016-04-04
Release date:2016-07-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A New Member of the Thioredoxin Reductase Family from Early Oxygenic Photosynthetic Organisms.
Mol Plant, 10, 2017
4H01
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BU of 4h01 by Molmil
The crystal structure of di-Zn dihydropyrimidinase from Tetraodon nigroviridis
Descriptor: ZINC ION, dihydropyrimidinase
Authors:Hsieh, Y.C, Chen, M.C, Hsu, C.C, Chan, S.I, Yang, Y.S, Chen, C.J.
Deposit date:2012-09-06
Release date:2013-09-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Lysine Carboxylation: Metal and Structural Requirements for Post-translational Modification
To be Published
5JAO
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BU of 5jao by Molmil
Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Discovered Through X-Ray Fragment Screening
Descriptor: 2'-chloro-6-methyl[1,1'-biphenyl]-3-amine, CALCIUM ION, CHLORIDE ION, ...
Authors:Day, P.J.
Deposit date:2016-04-12
Release date:2016-05-25
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Discovered through X-ray Fragment Screening.
J.Med.Chem., 59, 2016
5JAP
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BU of 5jap by Molmil
Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Discovered Through X-Ray Fragment Screening
Descriptor: (2,5-dihydro-1H-pyrrol-1-yl)(2',6-dimethyl[1,1'-biphenyl]-3-yl)methanone, CALCIUM ION, CHLORIDE ION, ...
Authors:Day, P.J.
Deposit date:2016-04-12
Release date:2016-05-25
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Discovered through X-ray Fragment Screening.
J.Med.Chem., 59, 2016
5JMO
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BU of 5jmo by Molmil
X-ray structure of furin in complex with the inhibitory antibody Nb14
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CMK-inhibitor, ...
Authors:Dahms, S.O, Than, M.E.
Deposit date:2016-04-29
Release date:2016-12-07
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.998 Å)
Cite:The structure of a furin-antibody complex explains non-competitive inhibition by steric exclusion of substrate conformers.
Sci Rep, 6, 2016
4TPR
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BU of 4tpr by Molmil
Structure of Tau5 antibody Fab fragment
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxaoctatriacontane-1,38-diol, CHLORIDE ION, ...
Authors:Cehlar, O, Skrabana, R, Novak, M.
Deposit date:2014-06-09
Release date:2015-07-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure of Tau5 antibody Fab fragment
To Be Published
1H0H
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BU of 1h0h by Molmil
Tungsten containing Formate Dehydrogenase from Desulfovibrio Gigas
Descriptor: 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Raaijmakers, H.C.A.
Deposit date:2002-06-19
Release date:2003-02-20
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Gene Sequence and the 1.8 A Crystal Structure of the Tungsten-Containing Formate Dehydrogenase from Desulfovibrio Gigas
Structure, 10, 2002

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