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2B9K
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BU of 2b9k by Molmil
Solution structure of LCI, an AMP from Bacillus subtilis
Descriptor: Antimicrobial peptide LCI
Authors:Xia, B, Gong, W, Lu, G.
Deposit date:2005-10-11
Release date:2006-10-24
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of LCI, an AMP from Bacillus subtilis
To be published
7CL5
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BU of 7cl5 by Molmil
The crystal structure of KanJ in complex with kanamycin B and N-oxalylglycine
Descriptor: (1R,2S,3S,4R,6S)-4,6-DIAMINO-3-[(3-AMINO-3-DEOXY-ALPHA-D-GLUCOPYRANOSYL)OXY]-2-HYDROXYCYCLOHEXYL 2,6-DIAMINO-2,6-DIDEOXY-ALPHA-D-GLUCOPYRANOSIDE, Kanamycin B dioxygenase, N-OXALYLGLYCINE, ...
Authors:Kitayama, Y, Miyanaga, A, Kudo, F, Eguchi, T.
Deposit date:2020-07-20
Release date:2021-01-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Stepwise Post-glycosylation Modification of Sugar Moieties in Kanamycin Biosynthesis.
Chembiochem, 22, 2021
4UJ6
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BU of 4uj6 by Molmil
Structure of surface layer protein SbsC, domains 1-6
Descriptor: SURFACE LAYER PROTEIN
Authors:Dordic, A, Pavkov-Keller, T, Eder, M, Egelseer, E.M, Davis, K, Mills, D, Sleytr, U.B, Kuehlbrandt, W, Vonck, J, Keller, W.
Deposit date:2015-04-08
Release date:2016-04-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Structure of Surface Layer Protein Sbsc, Domains 1-6
To be Published
7P4N
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BU of 7p4n by Molmil
NMR solution structure of the C6 domain of von Willebrand Factor
Descriptor: von Willebrand factor
Authors:Hennig, J, Chen, P.-C, Simon, B.
Deposit date:2021-07-12
Release date:2022-07-27
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structure and dynamics of the von Willebrand Factor C6 domain.
J.Struct.Biol., 214, 2022
4UII
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BU of 4uii by Molmil
Crystal structure of the Azotobacter vinelandii globin-coupled oxygen sensor in the aquo-met form
Descriptor: GGDEF DOMAIN PROTEIN, PROTOPORPHYRIN IX CONTAINING FE
Authors:Germani, F, De Schutter, A, Pesce, A, Berghmans, H, Van Hauwaert, M.-L, Cuypers, B, Bruno, S, Mozzarelli, A, Moens, L, Van Doorslaer, S, Bolognesi, M, Nardini, M, Dewilde, S.
Deposit date:2015-03-30
Release date:2016-04-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.827 Å)
Cite:Azotobacter Vinelandii Globin-Coupled Oxygen Sensor is a Diguanylate Cyclase with a Biphasic Oxygen Dissociation
To be Published
2B0H
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BU of 2b0h by Molmil
Solution structure of VBS3 fragment of talin
Descriptor: Talin-1
Authors:Gingras, A.R, Vogel, K.P, Steinhoff, H.J, Ziegler, W.H, Patel, B, Emsley, J, Critchley, D.R, Roberts, G.C, Barsukov, I.L.
Deposit date:2005-09-14
Release date:2006-01-17
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structural and Dynamic Characterization of a Vinculin Binding Site in the Talin Rod
Biochemistry, 45, 2006
5LGM
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BU of 5lgm by Molmil
Gp5.7 mutant L42A
Descriptor: Fusion protein 5.5/5.7
Authors:Liu, B, Matthews, S.
Deposit date:2016-07-07
Release date:2017-08-16
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Gp5.7 mutant L42A
to be published
4UN2
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BU of 4un2 by Molmil
Crystal structure of the UBA domain of Dsk2 in complex with Ubiquitin
Descriptor: UBIQUITIN, UBIQUITIN DOMAIN-CONTAINING PROTEIN DSK2
Authors:Michielssens, S, Peters, J.H, Ban, D, Pratihar, S, Seeliger, D, Sharma, M, Giller, K, Sabo, T.M, Becker, S, Lee, D, Griesinger, C, de Groot, B.L.
Deposit date:2014-05-23
Release date:2014-08-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:A Designed Conformational Shift to Control Protein Binding Specificity.
Angew.Chem.Int.Ed.Engl., 53, 2014
7PGL
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BU of 7pgl by Molmil
HHIP-N, the N-terminal domain of the Hedgehog-Interacting Protein (HHIP), apo-form
Descriptor: Hedgehog-interacting protein
Authors:Griffiths, S.C, Schwab, R.A, El Omari, K, Bishop, B, Iverson, E.J, Malinuskas, T, Dubey, R, Qian, M, Covey, D.F, Gilbert, R.J.C, Rohatgi, R, Siebold, C.
Deposit date:2021-08-14
Release date:2021-12-15
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:Hedgehog-Interacting Protein is a multimodal antagonist of Hedgehog signalling.
Nat Commun, 12, 2021
4UNV
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BU of 4unv by Molmil
Covalent dimer of lambda variable domains
Descriptor: IG LAMBDA CHAIN V-II REGION MGC, SULFATE ION
Authors:Brumshtein, B, Esswein, S, Landau, M, Ryan, C, Whitelegge, J, Sawaya, M, Eisenberg, D.S.
Deposit date:2014-05-30
Release date:2014-08-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Formation of Amyloid Fibers by Monomeric Light-Chain Variable Domains.
J.Biol.Chem., 289, 2014
7CL3
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BU of 7cl3 by Molmil
The crystal structure of KanJ in complex with kanamycin B
Descriptor: (1R,2S,3S,4R,6S)-4,6-DIAMINO-3-[(3-AMINO-3-DEOXY-ALPHA-D-GLUCOPYRANOSYL)OXY]-2-HYDROXYCYCLOHEXYL 2,6-DIAMINO-2,6-DIDEOXY-ALPHA-D-GLUCOPYRANOSIDE, Kanamycin B dioxygenase, NICKEL (II) ION, ...
Authors:Kitayama, Y, Miyanaga, A, Kudo, F, Eguchi, T.
Deposit date:2020-07-20
Release date:2021-01-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Stepwise Post-glycosylation Modification of Sugar Moieties in Kanamycin Biosynthesis.
Chembiochem, 22, 2021
4UPK
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BU of 4upk by Molmil
Phosphonate monoester hydrolase SpPMH from Silicibacter pomeroyi
Descriptor: PHOSPHONATE MONOESTER HYDROLASE
Authors:Valkov, E, van Loo, B, Hollfelder, F, Hyvonen, M.
Deposit date:2014-06-17
Release date:2015-07-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Balancing Specificity and Promiscuity in Enzyme Evolution: Multidimensional Activity Transitions in the Alkaline Phosphatase Superfamily.
J.Am.Chem.Soc., 141, 2019
4UJ7
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BU of 4uj7 by Molmil
Structure of the S-layer protein SbsC, domains 5-6
Descriptor: CALCIUM ION, SURFACE LAYER PROTEIN
Authors:Dordic, A, Pavkov-Keller, T, Eder, M, Egelseer, E.M, Davis, K, Mills, D, Sleytr, U.B, Kuehlbrandt, W, Vonck, J, Keller, W.
Deposit date:2015-04-08
Release date:2016-04-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Structure of the S-Layer Protein Sbsc, Domains 5-6
To be Published
4UIC
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BU of 4uic by Molmil
Crystal structure of the S-layer protein rSbsC(31-844)
Descriptor: SURFACE LAYER PROTEIN
Authors:Pavkov-Keller, T, Dordic, A, Egelseer, E.M, Sleytr, U.B, Keller, W.
Deposit date:2015-03-27
Release date:2016-04-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:S-Layer Protein Rsbsc(31-844)
To be Published
4UIE
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BU of 4uie by Molmil
Crystal structure of the S-layer protein SbsC, domains 7, 8 and 9
Descriptor: CALCIUM ION, OSMIUM ION, SURFACE LAYER PROTEIN
Authors:Pavkov-Keller, T, Dordic, A, Egelseer, E.M, Sleytr, U.B, Keller, W.
Deposit date:2015-03-27
Release date:2016-04-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Crystal Structure of the S-Layer Protein Sbsc
To be Published
4USN
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BU of 4usn by Molmil
The structure of the immature HIV-1 capsid in intact virus particles at sub-nm resolution
Descriptor: P24
Authors:Schur, F.K.M, Hagen, W.J.H, Rumlova, M, Ruml, T, Mueller, B, Kraeusslich, H.-G, Briggs, J.A.G.
Deposit date:2014-07-11
Release date:2014-11-05
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (8.8 Å)
Cite:Structure of the Immature HIV-1 Capsid in Intact Virus Particles at 8.8 A Resolution.
Nature, 517, 2015
4UW6
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BU of 4uw6 by Molmil
Human galectin-7 in complex with a galactose based dendron D3
Descriptor: DENDRON-D3, GALECTIN-7
Authors:Ramaswamy, S, Sleiman, M.H, Masuyer, G, Arbez-Gindre, C, Micha-Screttas, M, Calogeropoulou, T, Steele, B.R, Acharya, K.R.
Deposit date:2014-08-08
Release date:2014-11-12
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Structural Basis of Multivalent Galactose-Based Dendrimer Recognition by Human Galectin-7.
FEBS J., 282, 2015
7CGW
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BU of 7cgw by Molmil
Complex structure of PD-1 and tislelizumab Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of tislelizumab Fab, Light chain of tislelizumab Fab, ...
Authors:Hong, Y, Feng, Y.C, Liu, Y.
Deposit date:2020-07-02
Release date:2021-04-07
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Tislelizumab uniquely binds to the CC' loop of PD-1 with slow-dissociated rate and complete PD-L1 blockage.
Febs Open Bio, 11, 2021
4V52
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BU of 4v52 by Molmil
Crystal structure of the bacterial ribosome from Escherichia coli in complex with neomycin.
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:2007-06-15
Release date:2014-07-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.21 Å)
Cite:Structural basis for aminoglycoside inhibition of bacterial ribosome recycling.
Nat.Struct.Mol.Biol., 14, 2007
4V38
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BU of 4v38 by Molmil
Apo-structure of alpha2,3-sialyltransferase variant 1 from Pasteurella dagmatis
Descriptor: SIALYLTRANSFERASE
Authors:Pavkov-Keller, T, Schmoelzer, K, Czabany, T, Luley-Goedl, C, Ribitsch, D, Schwab, H, Nidetzky, B, Gruber, K.
Deposit date:2014-10-17
Release date:2015-04-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Complete Switch from Alpha2,3- to Alpha2,6-Regioselectivity in Pasteurella Dagmatis Beta-D-Galactoside Sialyltransferase by Active-Site Redesign
Chem.Commun.(Camb.), 51, 2015
4V26
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BU of 4v26 by Molmil
VER-246608, a novel pan-isoform ATP competitive inhibitor of pyruvate dehydrogenase kinase, disrupts Warburg metabolism and induces context- dependent cytostasis in cancer cells
Descriptor: MAGNESIUM ION, N-(2-AMINOETHYL)-2-{3-CHLORO-4-[(4-ISOPROPYLBENZYL)OXY]PHENYL} ACETAMIDE, N-[4-(2-CHLORO-5-METHYLPYRIMIDIN-4-YL)PHENYL]-2,4-DIHYDROXY-N-(4-{[(TRIFLUOROACETYL)AMINO]METHYL}BENZYL)BENZAMIDE, ...
Authors:Moore, J.D, Staniszewska, A, Shaw, T, D'Alessandro, J, Davis, B, Surgenor, A, Baker, L, Matassova, N, Murray, J, Macias, A, Brough, P, Wood, M, Mahon, P.C.
Deposit date:2014-10-06
Release date:2014-12-03
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:VER-246608, a novel pan-isoform ATP competitive inhibitor of pyruvate dehydrogenase kinase, disrupts Warburg metabolism and induces context-dependent cytostasis in cancer cells.
Oncotarget, 5, 2014
4UW4
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BU of 4uw4 by Molmil
Human galectin-7 in complex with a galactose based dendron D2-1.
Descriptor: DENDRON D2-1, GALECTIN-7
Authors:Ramaswamy, S, Sleiman, M.H, Masuyer, G, Arbez-Gindre, C, Micha-Screttas, M, Calogeropoulou, T, Steele, B.R, Acharya, K.R.
Deposit date:2014-08-08
Release date:2014-11-12
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.766 Å)
Cite:Structural Basis of Multivalent Galactose-Based Dendrimer Recognition by Human Galectin-7.
FEBS J., 282, 2015
4V25
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BU of 4v25 by Molmil
VER-246608, a novel pan-isoform ATP competitive inhibitor of pyruvate dehydrogenase kinase, disrupts Warburg metabolism and induces context- dependent cytostasis in cancer cells
Descriptor: MAGNESIUM ION, N-(2-AMINOETHYL)-2-{3-CHLORO-4-[(4-ISOPROPYLBENZYL)OXY]PHENYL} ACETAMIDE, N-[4-(2-chloro-5-methylpyrimidin-4-yl)phenyl]-N-(4-{[(difluoroacetyl)amino]methyl}benzyl)-2,4-dihydroxybenzamide, ...
Authors:Moore, J.D, Staniszewska, A, Shaw, T, D'Alessandro, J, Davis, B, Surgenor, A, Baker, L, Matassova, N, Murray, J, Macias, A, Brough, P, Wood, M, Mahon, P.C.
Deposit date:2014-10-06
Release date:2014-12-03
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:VER-246608, a novel pan-isoform ATP competitive inhibitor of pyruvate dehydrogenase kinase, disrupts Warburg metabolism and induces context-dependent cytostasis in cancer cells.
Oncotarget, 5, 2014
4V54
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BU of 4v54 by Molmil
Crystal structure of the bacterial ribosome from Escherichia coli in complex with 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:2007-06-16
Release date:2014-07-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structural basis for aminoglycoside inhibition of bacterial ribosome recycling.
Nat.Struct.Mol.Biol., 14, 2007
4V2U
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BU of 4v2u by Molmil
Apo-structure of alpha2,3-sialyltransferase from Pasteurella dagmatis
Descriptor: SIALYLTRANSFERASE
Authors:Pavkov-Keller, T, Schmoelzer, K, Czabany, T, Luley-Goedl, C, Ribitsch, D, Schwab, H, Nidetzky, B, Gruber, K.
Deposit date:2014-10-15
Release date:2015-04-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Complete Switch from Alpha2,3- to Alpha2,6-Regioselectivity in Pasteurella Dagmatis Beta-D-Galactoside Sialyltransferase by Active-Site Redesign
Chem.Commun.(Camb.), 51, 2015

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