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4LQ1
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BU of 4lq1 by Molmil
Crystal Structure of E.Coli Branching Enzyme in complex with maltohexaose
Descriptor: 1,4-alpha-glucan branching enzyme GlgB, GLYCEROL, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, ...
Authors:Feng, L, Geiger, J.H.
Deposit date:2013-07-17
Release date:2015-04-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Crystal Structures of Escherichia coli Branching Enzyme in Complex with Linear Oligosaccharides.
Biochemistry, 54, 2015
6TI7
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BU of 6ti7 by Molmil
Mixing Abeta(1-40) and Abeta(1-42) peptides generates unique amyloid fibrils
Descriptor: Amyloid-beta precursor protein
Authors:Cerofolini, L, Ravera, E, Bologna, S, Wiglenda, T, Boddrich, A, Purfurst, B, Benilova, A, Korsak, M, Gallo, G, Rizzo, D, Gonnelli, L, Fragai, M, De Strooper, B, Wanker, E.E, Luchinat, C.
Deposit date:2019-11-21
Release date:2020-07-22
Last modified:2024-06-19
Method:SOLID-STATE NMR
Cite:Mixing A beta (1-40) and A beta (1-42) peptides generates unique amyloid fibrils.
Chem.Commun.(Camb.), 56, 2020
6TS9
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BU of 6ts9 by Molmil
Crystal structure of GES-5 carbapenemase
Descriptor: 1,2-ETHANEDIOL, BROMIDE ION, Beta-lactamase, ...
Authors:Maso, L, Tondi, D, Klein, R, Montanari, M, Bellio, C, Celenza, G, Brenk, R, Cendron, L.
Deposit date:2019-12-20
Release date:2020-03-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Targeting the Class A Carbapenemase GES-5 via Virtual Screening.
Biomolecules, 10, 2020
1KTI
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BU of 1kti by Molmil
BINDING OF 100 MM N-ACETYL-N'-BETA-D-GLUCOPYRANOSYL UREA TO GLYCOGEN PHOSPHORYLASE B: KINETIC AND CRYSTALLOGRAPHIC STUDIES
Descriptor: GLYCOGEN PHOSPHORYLASE, MUSCLE FORM, N-(acetylcarbamoyl)-beta-D-glucopyranosylamine, ...
Authors:Oikonomakos, N.G, Kosmopoulou, M, Zographos, S.E, Leonidas, D.D, Chrysina, E.D, Somsak, L, Nagy, V, Praly, J.P, Docsa, T, Toth, B, Gergely, P.
Deposit date:2002-01-16
Release date:2002-01-30
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Binding of N-acetyl-N'-beta-D-glucopyranosyl urea and N-benzoyl-N'-beta-D-glucopyranosyl urea to glycogen phosphorylase b: kinetic and crystallographic studies.
Eur.J.Biochem., 269, 2002
6DIZ
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BU of 6diz by Molmil
EV-A71 strain 11316 complexed with tryptophan dendrimer MADAL_0385
Descriptor: SPHINGOSINE, VP1, VP2, ...
Authors:Sun, L, Lee, H, Thibaut, H.J, Rivero-Buceta, E, Martinez-Gualda, B, Delang, L, Leyssen, P, Gago, F, San-Felix, A, Hafenstein, S, Mirabelli, C, Neyts, J.
Deposit date:2018-05-24
Release date:2019-04-24
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.59 Å)
Cite:Viral engagement with host (co-)receptors blocked by a novel class of tryptophan dendrimers that targets the 5-fold-axis of the enterovirus-A71 capsid.
Plos Pathog., 15, 2019
6DHP
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BU of 6dhp by Molmil
RT XFEL structure of the three-flash state of Photosystem II (3F, S0-rich) at 2.04 Angstrom 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, Chatterjee, R, Young, I.D, Fuller, F.D, Lassalle, L, Ibrahim, M, Gul, S, Fransson, T, Brewster, A.S, Alonso-Mori, R, Hussein, R, Zhang, M, Douthit, L, de Lichtenberg, C, Cheah, M.H, Shevela, D, Wersig, J, Seufert, I, Sokaras, D, Pastor, E, Weninger, C, Kroll, T, Sierra, R.G, Aller, P, Butryn, A, Orville, A.M, Liang, M, Batyuk, A, Koglin, J.E, Carbajo, S, Boutet, S, Moriarty, N.W, Holton, J.M, Dobbek, H, Adams, P.D, Bergmann, U, Sauter, N.K, Zouni, A, Messinger, J, Yano, J, Yachandra, V.K.
Deposit date:2018-05-20
Release date:2018-11-21
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Structures of the intermediates of Kok's photosynthetic water oxidation clock.
Nature, 563, 2018
1KSH
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BU of 1ksh by Molmil
Complex of Arl2 and PDE delta, Crystal Form 2 (native)
Descriptor: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Hanzal-Bayer, M, Renault, L, Roversi, P, Wittinghofer, A, Hillig, R.C.
Deposit date:2002-01-13
Release date:2002-05-08
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The complex of Arl2-GTP and PDE delta: from structure to function.
EMBO J., 21, 2002
8H95
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BU of 8h95 by Molmil
Structure of mouse SCMC bound with full-length FILIA
Descriptor: NACHT, LRR and PYD domains-containing protein 5, Oocyte-expressed protein homolog, ...
Authors:Chi, P, Ou, G, Han, Z, Li, L, Deng, D.
Deposit date:2022-10-24
Release date:2024-01-10
Last modified:2024-01-31
Method:ELECTRON MICROSCOPY (3.38 Å)
Cite:Structural basis of the subcortical maternal complex and its implications in reproductive disorders.
Nat.Struct.Mol.Biol., 31, 2024
8I1N
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BU of 8i1n by Molmil
Crystal structure of APSK2 domain from human PAPSS2 in complex with endogenous APS and ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-PHOSPHOSULFATE, Bifunctional 3'-phosphoadenosine 5'-phosphosulfate synthase 2
Authors:Zhang, L, Song, W.Y, Zhang, L.
Deposit date:2023-01-13
Release date:2023-06-28
Last modified:2023-07-19
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Redox switching mechanism of the adenosine 5'-phosphosulfate kinase domain (APSK2) of human PAPS synthase 2.
Structure, 31, 2023
8I1M
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BU of 8i1m by Molmil
Crystal structure of oxidated APSK1 domain from human PAPSS1 in complex with APS and ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-PHOSPHOSULFATE, PAPSS1 protein, ...
Authors:Zhang, L, Song, W.Y, Zhang, L.
Deposit date:2023-01-13
Release date:2023-06-28
Last modified:2023-07-19
Method:X-RAY DIFFRACTION (1.699 Å)
Cite:Redox switching mechanism of the adenosine 5'-phosphosulfate kinase domain (APSK2) of human PAPS synthase 2.
Structure, 31, 2023
8I1O
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BU of 8i1o by Molmil
Crystal structure of APSK2 domain from human PAPSS2 in complex with exogenous APS and ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-PHOSPHOSULFATE, Bifunctional 3'-phosphoadenosine 5'-phosphosulfate synthase 2
Authors:Zhang, L, Song, W.Y, Zhang, L.
Deposit date:2023-01-13
Release date:2023-06-28
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Redox switching mechanism of the adenosine 5'-phosphosulfate kinase domain (APSK2) of human PAPS synthase 2.
Structure, 31, 2023
7OFQ
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BU of 7ofq by Molmil
The archaellum of Methanocaldococcus villosus
Descriptor: Archaellin, CALCIUM ION, UNKNOWN LIGAND
Authors:Isupov, M, Gambelli, L, Daum, B.
Deposit date:2021-05-05
Release date:2022-01-19
Last modified:2023-12-20
Method:ELECTRON MICROSCOPY (3.08 Å)
Cite:An archaellum filament composed of two alternating subunits.
Nat Commun, 13, 2022
3NMW
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BU of 3nmw by Molmil
Crystal structure of armadillo repeats domain of APC
Descriptor: APC variant protein, SULFATE ION
Authors:Zhang, Z, Chen, L, Gao, L, Lin, K, Wu, G.
Deposit date:2010-06-22
Release date:2011-07-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural basis for the recognition of Asef by adenomatous polyposis coli.
Cell Res., 22, 2012
7O2L
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BU of 7o2l by Molmil
Yeast 20S proteasome in complex with the covalently bound inhibitor b-lactone (2R,3S)-3-isopropyl-4-oxo-2-oxetane-carboxylate (IOC)
Descriptor: (2 {R},3 {S})-3-methanoyl-4-methyl-2-hydroxy-pentanoic acid, 20S proteasome, BJ4_G0020160.mRNA.1.CDS.1, ...
Authors:Shi, Y.M, Hirschmann, M, Shi, Y.N, Shabbir, A, Abebew, D, Tobias, N.J, Gruen, P, Crames, J.J, Poeschel, L, Kuttenlochner, W, Richter, C, Herrmann, J, Mueller, R, Thanwisai, A, Pidot, S.J, Stinear, T.P, Groll, M, Kim, Y, Bode, H.
Deposit date:2021-03-30
Release date:2022-04-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3 Å)
Cite:Global analysis of biosynthetic gene clusters reveals conserved and unique natural products in entomopathogenic nematode-symbiotic bacteria.
Nat.Chem., 14, 2022
8IF8
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BU of 8if8 by Molmil
Arabinosyltransferase AftA
Descriptor: CALCIUM ION, Galactan 5-O-arabinofuranosyltransferase
Authors:Gong, Y.C, Rao, Z.H, Zhang, L.
Deposit date:2023-02-17
Release date:2023-05-31
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structure of the priming arabinosyltransferase AftA required for AG biosynthesis of Mycobacterium tuberculosis.
Proc.Natl.Acad.Sci.USA, 120, 2023
2VS2
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BU of 2vs2 by Molmil
Neutron diffraction structure of endothiapepsin in complex with a gem- diol inhibitor.
Descriptor: ENDOTHIAPEPSIN, N~2~-[(2R)-2-benzyl-3-(tert-butylsulfonyl)propanoyl]-N-{(1R)-1-(cyclohexylmethyl)-3,3-difluoro-2,2-dihydroxy-4-[(2-morpholin-4-ylethyl)amino]-4-oxobutyl}-3-(1H-imidazol-3-ium-4-yl)-L-alaninamide
Authors:Coates, L, Tuan, H.-F, Tomanicek, S, Kovalevsky, A, Mustyakimov, M, Erskine, P, Cooper, J.
Deposit date:2008-04-17
Release date:2008-05-27
Last modified:2023-11-15
Method:NEUTRON DIFFRACTION (2 Å)
Cite:The Catalytic Mechanism of an Aspartic Proteinase Explored with Neutron and X-Ray Diffraction
J.Am.Chem.Soc., 130, 2008
8IEJ
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BU of 8iej by Molmil
RNF20-RNF40/hRad6A-Ub/nucleosome complex
Descriptor: DNA (147-MER), E3 ubiquitin-protein ligase BRE1A, E3 ubiquitin-protein ligase BRE1B, ...
Authors:Ai, H, Deng, Z, Sun, M, Du, Y, Pan, M, Liu, L.
Deposit date:2023-02-15
Release date:2023-09-06
Last modified:2023-09-20
Method:ELECTRON MICROSCOPY (3.12 Å)
Cite:Mechanistic insights into nucleosomal H2B monoubiquitylation mediated by yeast Bre1-Rad6 and its human homolog RNF20/RNF40-hRAD6A.
Mol.Cell, 83, 2023
3NMZ
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BU of 3nmz by Molmil
Crystal structure of APC complexed with Asef
Descriptor: APC variant protein, Rho guanine nucleotide exchange factor 4
Authors:Zhang, Z, Chen, L, Gao, L, Lin, K, Wu, G.
Deposit date:2010-06-23
Release date:2011-07-06
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:Structural basis for the recognition of Asef by adenomatous polyposis coli.
Cell Res., 22, 2012
3NMX
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BU of 3nmx by Molmil
Crystal structure of APC complexed with Asef
Descriptor: APC variant protein, Rho guanine nucleotide exchange factor 4
Authors:Zhang, Z, Chen, L, Gao, L, Lin, K, Wu, G.
Deposit date:2010-06-22
Release date:2011-07-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis for the recognition of Asef by adenomatous polyposis coli.
Cell Res., 22, 2012
3O6Y
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BU of 3o6y by Molmil
Robust computational design, optimization, and structural characterization of retroaldol enzymes
Descriptor: Retro-Aldolase, SULFATE ION
Authors:Althoff, E.A, Wang, L, Jiang, L, Moody, J, Bolduc, J, Lassila, J.K, Wang, Z.Z, Smith, M, Hari, S, Herschlag, D, Stoddard, B.L, Baker, D.
Deposit date:2010-07-29
Release date:2011-06-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.091 Å)
Cite:Structural analyses of covalent enzyme-substrate analog complexes reveal strengths and limitations of de novo enzyme design.
J.Mol.Biol., 415, 2012
2IHK
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BU of 2ihk by Molmil
crystal structure of multifunctional sialyltransferase from pasteurella multocida with CMP-3F(equatorial)-Neu5Ac bound
Descriptor: Alpha-2,3/2,6-sialyltransferase/sialidase, CYTIDINE-5'-MONOPHOSPHATE-3-FLUORO-N-ACETYL-NEURAMINIC ACID
Authors:Fisher, A.J, Ni, L.
Deposit date:2006-09-26
Release date:2007-05-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structures of Pasteurella multocida Sialyltransferase Complexes with Acceptor and Donor Analogues Reveal Substrate Binding Sites and Catalytic Mechanism.
Biochemistry, 46, 2007
4CIK
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BU of 4cik by Molmil
plasminogen kringle 1 in complex with inhibitor
Descriptor: 5-[(2R,4S)-2-(phenylmethyl)piperidin-4-yl]-1,2-oxazol-3-one, PLASMINOGEN
Authors:Xue, Y, Johansson, C, Cheng, L, Pettersen, D, Gustafsson, D.
Deposit date:2013-12-10
Release date:2014-06-18
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Discovery of the Fibrinolysis Inhibitor Azd6564, Acting Via Interference of a Protein-Protein Interaction.
Acs Med.Chem.Lett., 5, 2014
2IMI
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BU of 2imi by Molmil
Structures of an Insect Epsilon-class Glutathione S-transferase from the Malaria Vector Anopheles Gambiae: Evidence for High DDT-detoxifying Activity
Descriptor: Epsilon-class Glutathione S-transferase, GLUTATHIONE
Authors:Wang, Y, Hemingway, J, Ranson, H, Meehan, E.J, Chen, L.
Deposit date:2006-10-02
Release date:2007-10-09
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structure of an insect epsilon class glutathione S-transferase from the malaria vector Anopheles gambiae provides an explanation for the high DDT-detoxifying activity
J.Struct.Biol., 164, 2008
2IHJ
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BU of 2ihj by Molmil
crystal structure of multifunctional sialyltransferase from pasteurella multocida with CMP-3F-Neu5Ac bound
Descriptor: Alpha-2,3/2,6-sialyltransferase/sialidase, CYTIDINE-5'-MONOPHOSPHATE-3-FLUORO-N-ACETYL-NEURAMINIC ACID
Authors:Fisher, A.J, Ni, L.
Deposit date:2006-09-26
Release date:2007-05-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structures of Pasteurella multocida Sialyltransferase Complexes with Acceptor and Donor Analogues Reveal Substrate Binding Sites and Catalytic Mechanism.
Biochemistry, 46, 2007
2ILV
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BU of 2ilv by Molmil
crystal structure of multifunctional sialyltransferase from Pasteurella multocida with CMP and alpha-lactose bound
Descriptor: Alpha-2,3/2,6-sialyltransferase/sialidase, CYTIDINE-5'-MONOPHOSPHATE, beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose
Authors:Fisher, A.J, Ni, L.
Deposit date:2006-10-03
Release date:2007-05-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Crystal Structures of Pasteurella multocida Sialyltransferase Complexes with Acceptor and Donor Analogues Reveal Substrate Binding Sites and Catalytic Mechanism.
Biochemistry, 46, 2007

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