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6KVP
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BU of 6kvp by Molmil
S. aureus FtsZ in complex with 3-(1-(5-bromo-4-(4-(trifluoromethyl)phenyl)oxazol-2-yl)ethoxy)-2,6-difluorobenzamide (compound 2)
Descriptor: 3-[(1R)-1-[5-bromanyl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]ethoxy]-2,6-bis(fluoranyl)benzamide, CALCIUM ION, Cell division protein FtsZ, ...
Authors:Ferrer-Gonzalez, E, Fujita, J, Yoshizawa, T, Nelson, J.M, Pilch, A.J, Hillman, E, Ozawa, M, Kuroda, N, Parhi, A.K, LaVoie, E.J, Matsumura, H, Pilch, D.S.
Deposit date:2019-09-05
Release date:2020-01-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structure-Guided Design of a Fluorescent Probe for the Visualization of FtsZ in Clinically Important Gram-Positive and Gram-Negative Bacterial Pathogens.
Sci Rep, 9, 2019
4V57
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BU of 4v57 by Molmil
Crystal structure of the bacterial ribosome from Escherichia coli in complex with spectinomycin and neomycin.
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
Authors:Borovinskaya, M.A, Shoji, S, Holton, J.M, Fredrick, K, Cate, J.H.D.
Deposit date:2007-07-21
Release date:2014-07-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:A steric block in translation caused by the antibiotic spectinomycin.
Acs Chem.Biol., 2, 2007
6MBB
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BU of 6mbb by Molmil
Human Bfl-1 in complex with the designed peptide dF1
Descriptor: Bcl-2-related protein A1, dF1
Authors:Jenson, J.M, Keating, A.E.
Deposit date:2018-08-29
Release date:2019-03-06
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Tertiary Structural Motif Sequence Statistics Enable Facile Prediction and Design of Peptides that Bind Anti-apoptotic Bfl-1 and Mcl-1.
Structure, 27, 2019
6ME2
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BU of 6me2 by Molmil
XFEL crystal structure of human melatonin receptor MT1 in complex with ramelteon
Descriptor: DI(HYDROXYETHYL)ETHER, N-{2-[(8S)-1,6,7,8-tetrahydro-2H-indeno[5,4-b]furan-8-yl]ethyl}propanamide, OLEIC ACID, ...
Authors:Stauch, B, Johansson, L.C, McCorvy, J.D, Patel, N, Han, G.W, Gati, C, Batyuk, A, Ishchenko, A, Brehm, W, White, T.A, Michaelian, N, Madsen, C, Zhu, L, Grant, T.D, Grandner, J.M, Olsen, R.H.J, Tribo, A.R, Weierstall, U, Roth, B.L, Katritch, V, Liu, W, Cherezov, V.
Deposit date:2018-09-05
Release date:2019-04-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis of ligand recognition at the human MT1melatonin receptor.
Nature, 569, 2019
5PCY
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BU of 5pcy by Molmil
CRYSTAL STRUCTURE ANALYSES OF REDUCED (CUI) POPLAR PLASTOCYANIN AT SIX PH VALUES
Descriptor: COPPER (II) ION, PLASTOCYANIN
Authors:Guss, J.M, Freeman, H.C.
Deposit date:1986-09-02
Release date:1987-01-15
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure analyses of reduced (CuI) poplar plastocyanin at six pH values.
J.Mol.Biol., 192, 1986
8I7N
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BU of 8i7n by Molmil
The Tet-S1 state of G264A mutated Tetrahymena group I intron with 6nt 3'/5'-exon and 2-aminopurine nucleoside
Descriptor: (2R,3R,4S,5R)-2-(2-azanylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol, MAGNESIUM ION, SPERMIDINE, ...
Authors:Luo, B, Zhang, C, Ling, X, Mukherjee, S, Jia, G, Xie, J, Jia, X, Liu, L, Baulin, E.F, Luo, Y, Jiang, L, Dong, H, Wei, X, Bujnicki, J.M, Su, Z.
Deposit date:2023-02-01
Release date:2023-03-29
Method:ELECTRON MICROSCOPY (2.98 Å)
Cite:Cryo-EM reveals dynamics of Tetrahymena group I intron self-splicing
Nat Catal, 2023
7YX3
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BU of 7yx3 by Molmil
Structure of the Mimivirus genomic fibre in its compact 6-start helix form
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Putative GMC-type oxidoreductase
Authors:Villalta, A, Schmitt, A, Estrozi, L.F, Quemin, E.R.J, Alempic, J.M, Lartigue, A, Prazak, V, Belmudes, L, Vasishtan, D, Colmant, A.M.G, Honore, F.A, Coute, Y, Grunewald, K, Abergel, C.
Deposit date:2022-02-15
Release date:2022-08-10
Last modified:2023-07-19
Method:ELECTRON MICROSCOPY (4 Å)
Cite:The giant mimivirus 1.2 Mb genome is elegantly organized into a 30-nm diameter helical protein shield.
Elife, 11, 2022
7YX5
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BU of 7yx5 by Molmil
Structure of the Mimivirus genomic fibre in its relaxed 5-start helix form
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Putative glucose-methanol-choline oxidoreductase protein
Authors:Villalta, A, Schmitt, A, Estrozi, L.F, Quemin, E.R.J, Alempic, J.M, Lartigue, A, Prazak, V, Belmudes, L, Vasishtan, D, Colmant, A.M.G, Honore, F.A, Coute, Y, Grunewald, K, Abergel, C.
Deposit date:2022-02-15
Release date:2022-08-10
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:The giant mimivirus 1.2 Mb genome is elegantly organized into a 30 nm diameter helical protein shield.
Elife, 11, 2022
7YX4
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BU of 7yx4 by Molmil
Structure of the Mimivirus genomic fibre in its compact 5-start helix form
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Putative glucose-methanol-choline oxidoreductase protein
Authors:Villalta, A, Schmitt, A, Estrozi, L.F, Quemin, E.R.J, Alempic, J.M, Lartigue, A, Prazak, V, Belmudes, L, Vasishtan, D, Colmant, A.M.G, Honore, F.A, Coute, Y, Grunewald, K, Abergel, C.
Deposit date:2022-02-15
Release date:2022-08-10
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:The giant mimivirus 1.2 Mb genome is elegantly organized into a 30 nm diameter helical protein shield.
Elife, 11, 2022
4V0S
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BU of 4v0s by Molmil
Crystal structure of Mycobacterium tuberculosis Type II Dehydroquinase D88N mutant inhibited by a 3-dehydroquinic acid derivative
Descriptor: (1R,2S,4S,5R)-2-(2,3,4,5,6-pentafluorophenyl)methyl-1,4,5-trihydroxy-3-oxocyclohexane-1-carboxylic acid, 3,4-DIHYDROXY-2-[(2,3,4,5,6-PENTAFLUOROPHENYL)METHYL]BENZOIC ACID, 3-DEHYDROQUINATE DEHYDRATASE, ...
Authors:Otero, J.M, Llamas-Saiz, A.L, Santiago, C, Lamb, H, Hawkins, A.R, Maneiro, M, Peon, A, Gonzalez-Bello, C, van Raaij, M.J.
Deposit date:2014-09-18
Release date:2016-01-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Investigation of the Dehydratation Mechanism Catalyzed by the Type II Dehydroquinase
To be Published
4WA1
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BU of 4wa1 by Molmil
The crystal structure of hemagglutinin from a H3N8 influenza virus isolated from New England harbor seals
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, ...
Authors:Yang, H, Villanueva, J.M, Gubareva, L.V, Stevens, J.
Deposit date:2014-08-28
Release date:2015-01-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.898 Å)
Cite:Structural and Functional Analysis of Surface Proteins from an A(H3N8) Influenza Virus Isolated from New England Harbor Seals.
J.Virol., 89, 2015
4WE6
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BU of 4we6 by Molmil
The crystal structure of hemagglutinin HA1 domain from influenza virus A/Perth/142/2007(H3N2)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Hemagglutinin HA1 chain
Authors:Yang, H, Carney, P.J, Chang, J.C, Guo, Z, Villanueva, J.M, Stevens, J.
Deposit date:2014-09-09
Release date:2015-02-11
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.904 Å)
Cite:Structure and receptor binding preferences of recombinant human A(H3N2) virus hemagglutinins.
Virology, 477C, 2015
7Z0N
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BU of 7z0n by Molmil
Structure-Based Design of a Novel Class of Autotaxin Inhibitors Based on Endogenous Allosteric Modulators
Descriptor: CALCIUM ION, GLYCEROL, IODIDE ION, ...
Authors:Salgado-Polo, F, Clark, J.M, Macdonald, S.J.F, Barrett, T.N, Perrakis, A, Jamieson, A.
Deposit date:2022-02-23
Release date:2022-05-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure-Based Design of a Novel Class of Autotaxin Inhibitors Based on Endogenous Allosteric Modulators.
J.Med.Chem., 65, 2022
4V5Y
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BU of 4v5y by Molmil
Crystal structure of the bacterial ribosome from Escherichia coli in complex with paromomycin and ribosome recycling factor (RRF).
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
Authors:Borovinskaya, M.A, Pai, R.D, Zhang, W, Schuwirth, B.-S, Holton, J.M, Hirokawa, G, Kaji, H, Kaji, A, Cate, J.H.D.
Deposit date:2007-06-19
Release date:2014-07-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (4.45 Å)
Cite:Structural basis for aminoglycoside inhibition of bacterial ribosome recycling.
Nat.Struct.Mol.Biol., 14, 2007
7ZAN
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BU of 7zan by Molmil
Crystal Structure of human IL-17A in complex with IL-17RA and IL-17RC
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-17 receptor A, Interleukin-17A, ...
Authors:Rondeau, J.M, Goepfert, A.
Deposit date:2022-03-22
Release date:2022-10-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (5.061 Å)
Cite:IL-17-induced dimerization of IL-17RA drives the formation of the IL-17 signalosome to potentiate signaling.
Cell Rep, 41, 2022
7Z3W
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BU of 7z3w by Molmil
Crystal structure of the AAL160 Fab
Descriptor: 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, AAL160 Fab heavy-chain, AAL160 Fab light-chain
Authors:Rondeau, J.M, Lehmann, S.
Deposit date:2022-03-02
Release date:2023-02-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:"Redirecting an anti-IL-1 beta antibody to bind a new, unrelated and computationally predicted epitope on hIL-17A".
Commun Biol, 6, 2023
7Z2M
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BU of 7z2m by Molmil
Crystal Structure of the 11.003 Fab in complex with human IL-17A
Descriptor: 11.003 Fab heavy-chain, 11.003 Fab light-chain, GLYCEROL, ...
Authors:Rondeau, J.M, Lehmann, S.
Deposit date:2022-02-28
Release date:2023-02-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.899 Å)
Cite:"Redirecting an anti-IL-1 beta antibody to bind a new, unrelated and computationally predicted epitope on hIL-17A".
Commun Biol, 6, 2023
7Z4T
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BU of 7z4t by Molmil
AAL160 FAB IN COMPLEX WITH HUMAN INTERLEUKIN-1 BETA
Descriptor: AAL160 Fab heavy-chain, AAL160 light-chain, Interleukin-1 beta
Authors:Rondeau, J.M, Lehmann, S.
Deposit date:2022-03-04
Release date:2023-02-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:"Redirecting an anti-IL-1 beta antibody to bind a new, unrelated and computationally predicted epitope on hIL-17A".
Commun Biol, 6, 2023
6R96
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BU of 6r96 by Molmil
The solution NMR structure of cis-dicarba-brevinin-1BYa in sodium dodecyl sulphate micelles
Descriptor: Brevinin-1BYa
Authors:Timmons, P.B, O'Flynn, D.P, Conlon, J.M, Hewage, C.M.
Deposit date:2019-04-02
Release date:2019-09-25
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:Insights into conformation and membrane interactions of the acyclic and dicarba-bridged brevinin-1BYa antimicrobial peptides.
Eur.Biophys.J., 48, 2019
6R95
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BU of 6r95 by Molmil
The solution NMR structure of cis-dicarba-brevinin-1BYa in 33% trifluoroethanol
Descriptor: Brevinin-1BYa
Authors:Timmons, P.B, O'Flynn, D.P, Conlon, J.M, Hewage, C.M.
Deposit date:2019-04-02
Release date:2019-09-25
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:Insights into conformation and membrane interactions of the acyclic and dicarba-bridged brevinin-1BYa antimicrobial peptides.
Eur.Biophys.J., 48, 2019
2G2W
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BU of 2g2w by Molmil
Crystal Structure of the SHV D104K Beta-lactamase/Beta-lactamase inhibitor protein (BLIP) complex
Descriptor: Beta-lactamase SHV-1, Beta-lactamase inhibitory protein
Authors:Reynolds, K.A, Thomson, J.M, Corbett, K.D, Bethel, C.R, Berger, J.M, Kirsch, J.F, Bonomo, R.A, Handel, T.M.
Deposit date:2006-02-16
Release date:2006-07-04
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and Computational Characterization of the SHV-1 beta-Lactamase-beta-Lactamase Inhibitor Protein Interface.
J.Biol.Chem., 281, 2006
7OI2
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BU of 7oi2 by Molmil
SaFtsz complexed with GDP (NaCl purification)
Descriptor: 1,2-ETHANEDIOL, Cell division protein FtsZ, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Fernandez-Tornero, C, Ruiz, F.M, Andreu Morales, J.M.
Deposit date:2021-05-11
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:FtsZ filament structures in different nucleotide states reveal the mechanism of assembly dynamics.
Plos Biol., 20, 2022
2G2U
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BU of 2g2u by Molmil
Crystal Structure of the SHV-1 Beta-lactamase/Beta-lactamase inhibitor protein (BLIP) complex
Descriptor: Beta-lactamase SHV-1, Beta-lactamase inhibitory protein
Authors:Reynolds, K.A, Thomson, J.M, Corbett, K.D, Bethel, C.R, Berger, J.M, Kirsch, J.F, Bonomo, R.A, Handel, T.M.
Deposit date:2006-02-16
Release date:2006-07-04
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural and Computational Characterization of the SHV-1 beta-Lactamase-beta-Lactamase Inhibitor Protein Interface.
J.Biol.Chem., 281, 2006
2GDQ
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BU of 2gdq by Molmil
Crystal structure of mandelate racemase/muconate lactonizing enzyme from Bacillus subtilis at 1.8 A resolution
Descriptor: yitF
Authors:Malashkevich, V.N, Toro, R, Sauder, J.M, Schwinn, K.D, Emtage, S, Thompson, D.A, Rutter, M.E, Dickey, M, Groshong, C, Bain, K.T, Adams, J.M, Reyes, C, Rooney, I, Powell, A, Boice, A, Gheyi, T, Ozyurt, S, Atwell, S, Wasserman, S.R, Burley, S.K, Sali, A, Babbitt, P, Pieper, U, Gerlt, J.A, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2006-03-16
Release date:2006-04-04
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of mandelate racemase/muconate lactonizing enzyme from Bacillus subtilis at 1.8 A resolution
To be Published
3C4P
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BU of 3c4p by Molmil
Crystal Structure of the SHV-1 Beta-lactamase/Beta-lactamase inhibitor protein (BLIP) E73M complex
Descriptor: Beta-lactamase SHV-1, Beta-lactamase inhibitory protein, SULFATE ION
Authors:Reynolds, K.A, Hanes, M.S, Thomson, J.M, Antczak, A.J, Berger, J.M, Bonomo, R.A, Kirsch, J.F, Handel, T.M.
Deposit date:2008-01-30
Release date:2008-05-27
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Computational redesign of the SHV-1 beta-lactamase/beta-lactamase inhibitor protein interface.
J.Mol.Biol., 382, 2008

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