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7UZT
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BU of 7uzt by Molmil
Crystal structure of the human astrovirus MLB1 capsid protein spike domain at 1.86-A resolution
Descriptor: Capsid polyprotein VP90
Authors:Delgado-Cunningham, K, DuBois, R.
Deposit date:2022-05-09
Release date:2022-11-09
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Structure of the divergent human astrovirus MLB capsid spike.
Structure, 30, 2022
4TNI
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BU of 4tni by Molmil
RT XFEL structure of Photosystem II 500 ms after the third illumination at 4.6 A resolution
Descriptor: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
Authors:Kern, J, Tran, R, Alonso-Mori, R, Koroidov, S, Echols, N, Hattne, J, Ibrahim, M, Gul, S, Laksmono, H, Sierra, R.G, Gildea, R.J, Han, G, Hellmich, J, Lassalle-Kaiser, B, Chatterjee, R, Brewster, A, Stan, C.A, Gloeckner, C, Lampe, A, DiFiore, D, Milathianaki, D, Fry, A.R, Seibert, M.M, Koglin, J.E, Gallo, E, Uhlig, J, Sokaras, D, Weng, T.-C, Zwart, P.H, Skinner, D.E, Bogan, M.J, Messerschmidt, M, Glatzel, P, Williams, G.J, Boutet, S, Adams, P.D, Zouni, A, Messinger, J, Sauter, N.K, Bergmann, U, Yano, J, Yachandra, V.K.
Deposit date:2014-06-04
Release date:2014-07-09
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (4.6 Å)
Cite:Taking snapshots of photosynthetic water oxidation using femtosecond X-ray diffraction and spectroscopy.
Nat Commun, 5, 2014
4BCT
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BU of 4bct by Molmil
Crystal structure of kiwi-fruit allergen Act d 2
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, THAUMATIN-LIKE PROTEIN
Authors:Pavkov-Keller, T, Bublin, M, Jankovic, M, Breiteneder, H, Keller, W.
Deposit date:2012-10-03
Release date:2013-10-16
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:Crystal Structure of Kiwi-Fruit Allergen Act D 2
To be Published
6NOX
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BU of 6nox by Molmil
Solution structure of SFTI-KLK5 inhibitor
Descriptor: SFTI-KLK5 Peptide
Authors:White, A.M.
Deposit date:2019-01-16
Release date:2019-04-03
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Amino Acid Scanning at P5' within the Bowman-Birk Inhibitory Loop Reveals Specificity Trends for Diverse Serine Proteases.
J. Med. Chem., 62, 2019
8EHR
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BU of 8ehr by Molmil
Cryo-EM reconstruction of the CFA/I bacterial adhesion pili
Descriptor: CFA/I fimbrial subunit B
Authors:Doran, M.H, Bullitt, E.
Deposit date:2022-09-14
Release date:2023-03-22
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Three structural solutions for bacterial adhesion pilus stability and superelasticity.
Structure, 31, 2023
8EHT
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BU of 8eht by Molmil
Cryo-EM reconstruction of the CS20 bacterial adhesion pili
Descriptor: CS20 fimbria major subunit protein
Authors:Doran, M.H, Bullitt, E.
Deposit date:2022-09-14
Release date:2023-03-22
Last modified:2023-05-17
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Three structural solutions for bacterial adhesion pilus stability and superelasticity.
Structure, 31, 2023
4TNK
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BU of 4tnk by Molmil
RT XFEL structure of Photosystem II 250 microsec after the third illumination at 5.2 A resolution
Descriptor: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
Authors:Kern, J, Tran, R, Alonso-Mori, R, Koroidov, S, Echols, N, Hattne, J, Ibrahim, M, Gul, S, Laksmono, H, Sierra, R.G, Gildea, R.J, Han, G, Hellmich, J, Lassalle-Kaiser, B, Chatterjee, R, Brewster, A, Stan, C.A, Gloeckner, C, Lampe, A, DiFiore, D, Milathianaki, D, Fry, A.R, Seibert, M.M, Koglin, J.E, Gallo, E, Uhlig, J, Sokaras, D, Weng, T.-C, Zwart, P.H, Skinner, D.E, Bogan, M.J, Messerschmidt, M, Glatzel, P, Williams, G.J, Boutet, S, Adams, P.D, Zouni, A, Messinger, J, Sauter, N.K, Bergmann, U, Yano, J, Yachandra, V.K.
Deposit date:2014-06-04
Release date:2014-07-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (5.2 Å)
Cite:Taking snapshots of photosynthetic water oxidation using femtosecond X-ray diffraction and spectroscopy.
Nat Commun, 5, 2014
8F8V
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BU of 8f8v by Molmil
Crystal structure of Nb.X0
Descriptor: Nb.X0
Authors:Goldgur, Y, Ravetch, J, Gupta, A, Kao, K, Andi, B.
Deposit date:2022-11-22
Release date:2023-03-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Mechanism of glycoform specificity and in vivo protection by an anti-afucosylated IgG nanobody.
Nat Commun, 14, 2023
8F8W
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BU of 8f8w by Molmil
Crystal structure of Nb.X0 bound to the afucosylated human IgG1 fragment crystal form I
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Nb.X0, afucosylated IgG1 fragment
Authors:Goldgur, Y, Ravetch, J, Gupta, A, Kao, K, Oren, D.
Deposit date:2022-11-22
Release date:2023-03-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Mechanism of glycoform specificity and in vivo protection by an anti-afucosylated IgG nanobody.
Nat Commun, 14, 2023
8F8X
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BU of 8f8x by Molmil
Crystal structure of Nb.X0 bound to the afucosylated human IgG1 fragment crystal form II
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Nb.X0, Uncharacterized protein DKFZp686C11235
Authors:Goldgur, Y, Ravetch, J, Gupta, A, Kao, K, Oren, D.
Deposit date:2022-11-22
Release date:2023-03-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Mechanism of glycoform specificity and in vivo protection by an anti-afucosylated IgG nanobody.
Nat Commun, 14, 2023
3DW4
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BU of 3dw4 by Molmil
Crystal Structure of the Sarcin/Ricin Domain from E. COLI 23 S rRNA, U2650-OCH3 modified
Descriptor: GLYCEROL, Sarcin/Ricin Domain from E. Coli 23 S rRNA
Authors:Olieric, V, Rieder, U, Lang, K, Serganov, A, Schulze-Briese, C, Micura, R, Dumas, P, Ennifar, E.
Deposit date:2008-07-21
Release date:2009-03-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:A fast selenium derivatization strategy for crystallization and phasing of RNA structures.
Rna, 15, 2009
4RP7
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BU of 4rp7 by Molmil
Structure of the amyloid-forming segment TIITLE from p53 (residues 253-258)
Descriptor: TIITLE hexapeptide segment from p53, ZINC ION
Authors:Soriaga, A.B, Soragni, A, Eisenberg, D.
Deposit date:2014-10-29
Release date:2016-01-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.576 Å)
Cite:A Designed Inhibitor of p53 Aggregation Rescues p53 Tumor Suppression in Ovarian Carcinomas.
Cancer Cell, 29, 2016
3SGR
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BU of 3sgr by Molmil
Tandem repeat of amyloid-related segment of alphaB-crystallin residues 90-100 mutant V91L
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Tandem repeat of amyloid-related segment of alphaB-crystallin residues 90-100 mutant V91L
Authors:Laganowsky, A, Sawaya, M.R, Cascio, D, Eisenberg, D.
Deposit date:2011-06-15
Release date:2012-03-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Atomic view of a toxic amyloid small oligomer.
Science, 335, 2012
4RV7
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BU of 4rv7 by Molmil
Characterization of an essential diadenylate cyclase
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Diadenylate cyclase, HEXANE-1,6-DIOL, ...
Authors:Dickmanns, A, Neumann, P, Ficner, R.
Deposit date:2014-11-25
Release date:2015-01-28
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural and Biochemical Analysis of the Essential Diadenylate Cyclase CdaA from Listeria monocytogenes.
J.Biol.Chem., 290, 2015
4RP6
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BU of 4rp6 by Molmil
Structure of the amyloid-forming segment LTIITLE from p53 (residues 252-258)
Descriptor: LTIITLE heptapeptide segment from p53
Authors:Soriaga, A.B, Soragni, A, Eisenberg, D.
Deposit date:2014-10-29
Release date:2016-01-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.703 Å)
Cite:A Designed Inhibitor of p53 Aggregation Rescues p53 Tumor Suppression in Ovarian Carcinomas.
Cancer Cell, 29, 2016
6TWE
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BU of 6twe by Molmil
Cu(I) NMR solution structure of the chitin-active lytic polysaccharide monooxygenase BlLPMO10A
Descriptor: COPPER (I) ION, Putative chitin binding protein
Authors:Courtade, G, Wimmer, R, Aachmann, F.L.
Deposit date:2020-01-13
Release date:2020-07-29
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Mechanistic basis of substrate-O2coupling within a chitin-active lytic polysaccharide monooxygenase: An integrated NMR/EPR study.
Proc.Natl.Acad.Sci.USA, 117, 2020
3GJD
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BU of 3gjd by Molmil
Crystal Structure of LeuT with bound OG
Descriptor: CHLORIDE ION, LEUCINE, SODIUM ION, ...
Authors:Winther, A.M.L, Quick, M, Javitch, J.A, Nissen, P.
Deposit date:2009-03-08
Release date:2009-04-28
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Binding of an octylglucoside detergent molecule in the second substrate (S2) site of LeuT establishes an inhibitor-bound conformation
Proc.Natl.Acad.Sci.USA, 106, 2009
4TNH
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BU of 4tnh by Molmil
RT XFEL structure of Photosystem II in the dark state at 4.9 A resolution
Descriptor: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
Authors:Kern, J, Tran, R, Alonso-Mori, R, Koroidov, S, Echols, N, Hattne, J, Ibrahim, M, Gul, S, Laksmono, H, Sierra, R.G, Gildea, R.J, Han, G, Hellmich, J, Lassalle-Kaiser, B, Chatterjee, R, Brewster, A, Stan, C.A, Gloeckner, C, Lampe, A, DiFiore, D, Milathianaki, D, Fry, A.R, Seibert, M.M, Koglin, J.E, Gallo, E, Uhlig, J, Sokaras, D, Weng, T.-C, Zwart, P.H, Skinner, D.E, Bogan, M.J, Messerschmidt, M, Glatzel, P, Williams, G.J, Boutet, S, Adams, P.D, Zouni, A, Messinger, J, Sauter, N.K, Bergmann, U, Yano, J, Yachandra, V.K.
Deposit date:2014-06-04
Release date:2014-07-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (4.900007 Å)
Cite:Taking snapshots of photosynthetic water oxidation using femtosecond X-ray diffraction and spectroscopy.
Nat Commun, 5, 2014
3GJC
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BU of 3gjc by Molmil
Crystal Structure of the E290S mutant of LeuT with bound OG
Descriptor: LEUCINE, SODIUM ION, Transporter, ...
Authors:Winther, A.M.L, Quick, M, Javitch, J.A, Nissen, P.
Deposit date:2009-03-08
Release date:2009-04-28
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Binding of an octylglucoside detergent molecule in the second substrate (S2) site of LeuT establishes an inhibitor-bound conformation
Proc.Natl.Acad.Sci.USA, 106, 2009
7UK4
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BU of 7uk4 by Molmil
KS-AT di-domain of mycobacterial Pks13 with endogenous KS ligand bound
Descriptor: Polyketide synthase PKS13, UNKNOWN LIGAND
Authors:Kim, S.K, Dickinson, M.S, Finer-Moore, J.S, Rosenberg, O.S, Stroud, R.M.
Deposit date:2022-03-31
Release date:2023-02-15
Last modified:2023-03-29
Method:ELECTRON MICROSCOPY (1.94 Å)
Cite:Structure and dynamics of the essential endogenous mycobacterial polyketide synthase Pks13.
Nat.Struct.Mol.Biol., 30, 2023
6RF0
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BU of 6rf0 by Molmil
Crystal structure of the light-driven sodium pump KR2 in the pentameric "dry" form
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, EICOSANE, RETINAL, ...
Authors:Kovalev, K, Polovinkin, V, Gushchin, I, Borshchevskiy, V, Gordeliy, V.
Deposit date:2019-04-12
Release date:2019-04-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure and mechanisms of sodium-pumping KR2 rhodopsin.
Sci Adv, 5, 2019
3DW7
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BU of 3dw7 by Molmil
Crystal Structure of the Sarcin/Ricin Domain from E. COLI 23 S rRNA, U2656-SeCH3 modified
Descriptor: Sarcin/Ricin Domain from E. Coli 23 S rRNA
Authors:Olieric, V, Rieder, U, Lang, K, Serganov, A, Schulze-Briese, C, Micura, R, Dumas, P, Ennifar, E.
Deposit date:2008-07-21
Release date:2009-03-24
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1 Å)
Cite:A fast selenium derivatization strategy for crystallization and phasing of RNA structures.
Rna, 15, 2009
6RF1
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BU of 6rf1 by Molmil
Crystal structure of the light-driven sodium pump KR2 in the pentameric "wet" form
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, EICOSANE, RETINAL, ...
Authors:Kovalev, K, Polovinkin, V, Gushchin, I, Borshchevskiy, V, Gordeliy, V.
Deposit date:2019-04-12
Release date:2019-04-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure and mechanisms of sodium-pumping KR2 rhodopsin.
Sci Adv, 5, 2019
6RF9
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BU of 6rf9 by Molmil
Crystal structure of the Y154F mutant of the light-driven sodium pump KR2 in the monomeric form, pH 8.0
Descriptor: EICOSANE, GLYCEROL, RETINAL, ...
Authors:Kovalev, K, Polovinkin, V, Gushchin, I, Borshchevskiy, V, Gordeliy, V.
Deposit date:2019-04-12
Release date:2019-04-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure and mechanisms of sodium-pumping KR2 rhodopsin.
Sci Adv, 5, 2019
6RFC
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BU of 6rfc by Molmil
Crystal structure of the potassium-pumping G263F mutant of the light-driven sodium pump KR2 in the monomeric form, pH 4.3
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, EICOSANE, GLYCEROL, ...
Authors:Kovalev, K, Polovinkin, V, Gushchin, I, Borshchevskiy, V, Gordeliy, V.
Deposit date:2019-04-12
Release date:2019-04-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure and mechanisms of sodium-pumping KR2 rhodopsin.
Sci Adv, 5, 2019

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