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3OO7
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BU of 3oo7 by Molmil
Crystal structures and biochemical characterization of the bacterial solute receptor AcbH reveal an unprecedented exclusive substrate preference for b-D-galactopyranose
Descriptor: ABC transporter binding protein AcbH, GLYCEROL, SULFATE ION
Authors:Vahedi-Faridi, A, Bulut, H, Licht, A.
Deposit date:2010-08-30
Release date:2010-12-29
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structures of the bacterial solute receptor AcbH displaying an exclusive substrate preference for beta-D-galactopyranose
J.Mol.Biol., 406, 2011
6M0Z
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BU of 6m0z by Molmil
X-ray structure of Drosophila dopamine transporter with NET-like mutations (D121G/S426M/F471L) in L-norepinephrine bound form
Descriptor: Antibody fragment (Fab) 9D5 Light chain, Antibody fragment (Fab) 9D5 heavy chain, CHLORIDE ION, ...
Authors:Shabareesh, P, Mallela, A.K, Joseph, D, Penmatsa, A.
Deposit date:2020-02-24
Release date:2021-02-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.88 Å)
Cite:Structural basis of norepinephrine recognition and transport inhibition in neurotransmitter transporters.
Nat Commun, 12, 2021
5D21
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BU of 5d21 by Molmil
Multivalency Effects in Glycopeptide Dendrimer Inhibitors of Pseudomonas aeruginosa Biofilms Targeting Lectin LecA
Descriptor: CALCIUM ION, LecA, phenyl beta-D-galactopyranoside
Authors:Bergmann, M, Michaud, G, Visini, R, Jin, X, Stocker, A, Darbre, T, Reymond, J.-L.
Deposit date:2015-08-05
Release date:2015-11-25
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Multivalency effects on Pseudomonas aeruginosa biofilm inhibition and dispersal by glycopeptide dendrimers targeting lectin LecA.
Org.Biomol.Chem., 14, 2016
3OOW
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BU of 3oow by Molmil
Octameric structure of the phosphoribosylaminoimidazole carboxylase catalytic subunit from Francisella tularensis subsp. tularensis SCHU S4.
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, FORMIC ACID, ...
Authors:Filippova, E.V, Wawrzak, Z, Kudritska, M, Edwards, A, Savchenko, A, Anderson, F.W, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2010-08-31
Release date:2010-09-15
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Octameric structure of the phosphoribosylaminoimidazole carboxylase catalytic subunit from Francisella tularensis subsp. tularensis SCHU S4.
To be Published
3K02
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BU of 3k02 by Molmil
Crystal structures of the GacH receptor of Streptomyces glaucescens GLA.O in the unliganded form and in complex with acarbose and an acarbose homolog. Comparison with acarbose-loaded maltose binding protein of Salmonella typhimurium.
Descriptor: 4,6-dideoxy-4-{[(1S,2R,3R,4S,5S)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]amino}-alpha-D-allopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranose, Acarbose/maltose binding protein GacH, SULFATE ION
Authors:Vahedi-Faridi, A, Licht, A, Bulut, H, Schneider, E.
Deposit date:2009-09-24
Release date:2010-02-16
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystal Structures of the Solute Receptor GacH of Streptomyces glaucescens in Complex with Acarbose and an Acarbose Homolog: Comparison with the Acarbose-Loaded Maltose-Binding Protein of Salmonella typhimurium.
J.Mol.Biol., 397, 2010
2K4X
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BU of 2k4x by Molmil
Solution structure of 30S ribosomal protein S27A from Thermoplasma acidophilum
Descriptor: 30S ribosomal protein S27ae, ZINC ION
Authors:Wu, B, Yee, A, Fares, C, Lemak, A, Semest, A, Arrowsmith, C, Montelione, G.T, Northeast Structural Genomics Consortium (NESG), Ontario Centre for Structural Proteomics (OCSP)
Deposit date:2008-06-20
Release date:2008-08-19
Last modified:2024-05-08
Method:SOLUTION NMR
Cite:Solution structure of 30S ribosomal protein S27A from Thermoplasma acidophilum/Northeast Structural Genomics Consortium Target TaT88/Ontario Center for Structural Proteomics target ta1093
To be Published
3JD0
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BU of 3jd0 by Molmil
Glutamate dehydrogenase in complex with GTP
Descriptor: GUANOSINE-5'-TRIPHOSPHATE, Glutamate dehydrogenase 1, mitochondrial
Authors:Borgnia, M.J, Banerjee, S, Merk, A, Matthies, D, Bartesaghi, A, Rao, P, Pierson, J, Earl, L.A, Falconieri, V, Subramaniam, S, Milne, J.L.S.
Deposit date:2016-03-28
Release date:2016-04-27
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (3.47 Å)
Cite:Using Cryo-EM to Map Small Ligands on Dynamic Metabolic Enzymes: Studies with Glutamate Dehydrogenase.
Mol.Pharmacol., 89, 2016
4L6X
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Crystal Structure of a GH48 cellobiohydrolase from Caldicellulosiruptor bescii
Descriptor: 1,2-ETHANEDIOL, Glycoside hydrolase family 48
Authors:Jiao, A, Bai, A, Yan, F, Geng, W.
Deposit date:2013-06-13
Release date:2014-05-28
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystallization and preliminary X-ray analysis of a processive cellobiohydrolase CbCBH48A from Caldicellulosiruptor bescii
to be published
3JD4
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BU of 3jd4 by Molmil
Glutamate dehydrogenase in complex with NADH and GTP, closed conformation
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, GUANOSINE-5'-TRIPHOSPHATE, Glutamate dehydrogenase 1, ...
Authors:Borgnia, M.J, Banerjee, S, Merk, A, Matthies, D, Bartesaghi, A, Rao, P, Pierson, J, Earl, L.A, Falconieri, V, Subramaniam, S, Milne, J.L.S.
Deposit date:2016-03-28
Release date:2016-04-27
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Using Cryo-EM to Map Small Ligands on Dynamic Metabolic Enzymes: Studies with Glutamate Dehydrogenase.
Mol.Pharmacol., 89, 2016
8G83
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BU of 8g83 by Molmil
Structure of NAD+ consuming protein Acinetobacter baumannii TIR domain
Descriptor: NAD(+) hydrolase AbTIR
Authors:Klontz, E.H, Wang, Y, Glendening, G, Carr, J, Tsibouris, T, Buddula, S, Nallar, S, Soares, A, Snyder, G.A.
Deposit date:2023-02-17
Release date:2023-10-11
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.03 Å)
Cite:The structure of NAD + consuming protein Acinetobacter baumannii TIR domain shows unique kinetics and conformations.
J.Biol.Chem., 299, 2023
3OP8
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BU of 3op8 by Molmil
Crystal structure of the domain V from beta2-glycoprotein I
Descriptor: Beta-2-glycoprotein 1, SULFATE ION
Authors:Kolyada, A, Lee, C.-J, De Biasio, A, Beglova, N.
Deposit date:2010-08-31
Release date:2011-01-05
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A Novel Dimeric Inhibitor Targeting Beta2GPI in Beta2GPI/Antibody Complexes Implicated in Antiphospholipid Syndrome.
Plos One, 5, 2010
3JTI
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BU of 3jti by Molmil
Crystal structure of the complex formed between Phospholipase A2 with beta-amyloid fragment, Lys-Gly-Ala-Ile-Ile-Gly-Leu-Met at 1.8 A resolution
Descriptor: CALCIUM ION, Phospholipase A2 isoform 3, octapeptide from Amyloid beta A4 protein
Authors:Pandey, N, Mirza, Z, Vikram, G, Singh, N, Bhushan, A, Kaur, P, Srinivasan, A, Sharma, S, Singh, T.P.
Deposit date:2009-09-12
Release date:2010-07-21
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of the complex formed between Phospholipase A2 with beta-amyloid fragment, Lys-Gly-Ala-Ile-Ile-Gly-Leu-Met at 1.8 A resolution
To be Published
1AVH
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BU of 1avh by Molmil
CRYSTAL AND MOLECULAR STRUCTURE OF HUMAN ANNEXIN V AFTER REFINEMENT. IMPLICATIONS FOR STRUCTURE, MEMBRANE BINDING AND ION CHANNEL FORMATION OF THE ANNEXIN FAMILY OF PROTEINS
Descriptor: ANNEXIN V, CALCIUM ION, SULFATE ION
Authors:Huber, R, Berendes, R, Burger, A, Schneider, M, Karshikov, A, Luecke, H, Roemisch, J, Paques, E.
Deposit date:1991-10-17
Release date:1994-01-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal and molecular structure of human annexin V after refinement. Implications for structure, membrane binding and ion channel formation of the annexin family of proteins.
J.Mol.Biol., 223, 1992
5EU0
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BU of 5eu0 by Molmil
FIC domain of Bep1 from Bartonella rochalimae in complex with BiaA
Descriptor: Bartonella effector protein (Bep) substrate of VirB T4SS, SULFATE ION, antitoxin 1
Authors:Goepfert, A.
Deposit date:2015-11-18
Release date:2017-03-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Molecular basis for Rho-family GTPase discrimination by a bacterial virulence factor
to be published
4FIV
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BU of 4fiv by Molmil
FIV PROTEASE COMPLEXED WITH AN INHIBITOR LP-130
Descriptor: 4-[2-(2-ACETYLAMINO-3-NAPHTALEN-1-YL-PROPIONYLAMINO)-4-METHYL-PENTANOYLAMINO]-3-HYDROXY-6-METHYL-HEPTANOIC ACID [1-(1-CARBAMOYL-2-NAPHTHALEN-1-YL-ETHYLCARBAMOYL)-PROPYL]-AMIDE, FELINE IMMUNODEFICIENCY VIRUS PROTEASE
Authors:Kervinen, J, Lubkowski, J, Zdanov, A, Wlodawer, A, Gustchina, A.
Deposit date:1998-07-15
Release date:1999-01-13
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Toward a universal inhibitor of retroviral proteases: comparative analysis of the interactions of LP-130 complexed with proteases from HIV-1, FIV, and EIAV.
Protein Sci., 7, 1998
4L52
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BU of 4l52 by Molmil
Crystal Structure of 1-(4-{4-[7-amino-2-(1,2,3-benzothiadiazol-7-yl)furo[2,3-c]pyridin-4-yl]-1H-pyrazol-1-yl}piperidin-1-yl)ethan-1-one bound to TAK1-TAB1
Descriptor: 1-(4-{4-[7-amino-2-(1,2,3-benzothiadiazol-7-yl)furo[2,3-c]pyridin-4-yl]-1H-pyrazol-1-yl}piperidin-1-yl)ethanone, Mitogen-activated protein kinase kinase kinase 7, TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 chimera
Authors:Wang, J, Hornberger, K.R, Crew, A.P, Jestel, A, Maskos, K, Moertl, M.
Deposit date:2013-06-10
Release date:2013-07-03
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Discovery and optimization of 7-aminofuro[2,3-c]pyridine inhibitors of TAK1.
Bioorg.Med.Chem.Lett., 23, 2013
6GOD
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BU of 6god by Molmil
KRAS full length wild-type GPPNHP
Descriptor: GLYCEROL, GTPase KRas, MAGNESIUM ION, ...
Authors:Cruz-Migoni, A, Quevedo, C.E, Carr, S.B, Ehebauer, M.T, Phillips, S.V.E, Rabbitts, T.H.
Deposit date:2018-06-01
Release date:2019-02-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Structure-based development of new RAS-effector inhibitors from a combination of active and inactive RAS-binding compounds.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
4L6B
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BU of 4l6b by Molmil
Endothiapepsin in complex with thiophen-based inhibitor SAP128
Descriptor: DIMETHYL SULFOXIDE, Endothiapepsin, GLYCEROL, ...
Authors:Park, A, Heine, A, Klebe, G.
Deposit date:2013-06-12
Release date:2014-06-18
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Endothiapepsin in Complex with Thiophen based Inhibitors
To be Published
3OXP
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BU of 3oxp by Molmil
Structure of phosphotransferase enzyme II, A component from Yersinia pestis CO92 at 1.2 A resolution
Descriptor: GLYCEROL, Phosphotransferase enzyme II, A component, ...
Authors:Filippova, E.V, Wawrzak, Z, Kudritska, M, Edwards, A, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2010-09-21
Release date:2010-10-13
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Structure of phosphotransferase enzyme II, A component from Yersinia pestis CO92 at 1.2 A resolution
To be Published
5EHX
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BU of 5ehx by Molmil
Crystal structure of MSF-aged Torpedo californica Acetylcholinesterase
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3,6,9,12,15-PENTAOXAHEPTADECAN-1-OL, ...
Authors:Pesaresi, A, Lamba, D.
Deposit date:2015-10-29
Release date:2016-11-09
Last modified:2024-09-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Disentangling the formation, mechanism, and evolvement of the covalent methanesulfonyl fluoride acetylcholinesterase adduct: Insights into an aged-like inactive complex susceptible to reactivation by a combination of nucleophiles.
Protein Sci., 33, 2024
3J9M
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BU of 3j9m by Molmil
Structure of the human mitochondrial ribosome (class 1)
Descriptor: 12S rRNA, 16S rRNA, E-site tRNA, ...
Authors:Amunts, A, Brown, A, Toots, J, Scheres, S.H, Ramakrishnan, V.
Deposit date:2015-02-08
Release date:2015-04-15
Last modified:2018-07-18
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Ribosome. The structure of the human mitochondrial ribosome.
Science, 348, 2015
5EI5
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BU of 5ei5 by Molmil
Crystal structure of MSF-aged Torpedo californica Acetylcholinesterase in complex with alkylene-linked bis-tacrine dimer (7 carbon linker)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, ...
Authors:Pesaresi, A, Lamba, D.
Deposit date:2015-10-29
Release date:2016-11-09
Last modified:2024-09-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Disentangling the formation, mechanism, and evolvement of the covalent methanesulfonyl fluoride acetylcholinesterase adduct: Insights into an aged-like inactive complex susceptible to reactivation by a combination of nucleophiles.
Protein Sci., 33, 2024
3J5Y
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BU of 3j5y by Molmil
Structure of the mammalian ribosomal pre-termination complex associated with eRF1-eRF3-GDPNP
Descriptor: 5'-R(*AP*UP*UP*GP*UP*AP*AP*AP*AP*A)-3', Eukaryotic peptide chain release factor GTP-binding subunit ERF3A, Eukaryotic peptide chain release factor subunit 1, ...
Authors:des Georges, A, Hashem, Y, Unbehaun, A, Grassucci, R.A, Taylor, D, Hellen, C.U.T, Pestova, T.V, Frank, J.
Deposit date:2013-11-21
Release date:2013-12-25
Last modified:2018-07-18
Method:ELECTRON MICROSCOPY (9.7 Å)
Cite:Structure of the mammalian ribosomal pre-termination complex associated with eRF1*eRF3*GDPNP.
Nucleic Acids Res., 42, 2014
4LCO
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BU of 4lco by Molmil
Crystal structure of NE0047 with complex with substrate ammeline
Descriptor: 4,6-diamino-1,3,5-triazin-2-ol, Cytidine and deoxycytidylate deaminase zinc-binding region, ZINC ION
Authors:Bitra, A, Biswas, A, Anand, R.
Deposit date:2013-06-22
Release date:2014-01-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis of the substrate specificity of cytidine deaminase superfamily Guanine deaminase
Biochemistry, 52, 2013
5D4W
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BU of 5d4w by Molmil
Crystal structure of Hsp104
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Putative heat shock protein
Authors:Heuck, A, Schitter-Sollner, S, Clausen, T.
Deposit date:2015-08-09
Release date:2016-12-07
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:Structural basis for the disaggregase activity and regulation of Hsp104.
Elife, 5, 2016

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