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3GXE
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BU of 3gxe by Molmil
Complex of a Low Affinity Collagen Site with the Fibronectin 8-9FnI Domain Pair
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Collagen alpha-1(I) chain, Fibronectin, ...
Authors:Sladek, B, Campbell, I.D, Vakonakis, I.
Deposit date:2009-04-02
Release date:2010-04-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural analysis of collagen type I interactions with human fibronectin reveals a cooperative binding mode
J.Biol.Chem., 288, 2013
3GUH
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BU of 3guh by Molmil
Crystal Structure of Wild-type E.coli GS in complex with ADP and DGM
Descriptor: (2R)-2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propane-1-sulfonic acid, 1,5-anhydro-D-glucitol, 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, ...
Authors:Sheng, F, Geiger, J.
Deposit date:2009-03-30
Release date:2009-04-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:The Crystal Structures of the Open and Catalytically Competent Closed Conformation of Escherichia coli Glycogen Synthase.
J.Biol.Chem., 284, 2009
4DN1
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BU of 4dn1 by Molmil
Crystal structure of an ENOLASE (mandelate racemase subgroup member) from Agrobacterium tumefaciens (target EFI-502088) with bound mg and formate
Descriptor: CHLORIDE ION, FORMIC ACID, Isomerase/lactonizing enzyme, ...
Authors:Vetting, M.W, Toro, R, Bhosle, R, Bouvier, J.T, Wasserman, S.R, Morisco, L.L, Sojitra, S, Al Obaidi, N.F, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2012-02-08
Release date:2012-03-07
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structure of an enolase (mandelate racemase subgroup member) from Agrobacterium tumefaciens (target EFI-502088) with bound mg and formate
to be published
4LYF
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BU of 4lyf by Molmil
Crystal Structure of small molecule vinylsulfonamide 8 covalently bound to K-Ras G12C
Descriptor: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, N-{1-[N-(4,5-dichloro-2-hydroxyphenyl)glycyl]piperidin-4-yl}ethanesulfonamide
Authors:Ostrem, J.M, Peters, U, Sos, M.L, Wells, J.A, Shokat, K.M.
Deposit date:2013-07-31
Release date:2013-11-27
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.568 Å)
Cite:K-Ras(G12C) inhibitors allosterically control GTP affinity and effector interactions.
Nature, 503, 2013
4DNQ
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BU of 4dnq by Molmil
Crystal Structure of DAD2 S96A mutant
Descriptor: DAD2
Authors:Hamiaux, C.
Deposit date:2012-02-08
Release date:2012-11-14
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:DAD2 Is an alpha/beta Hydrolase likely to Be Involved in the Perception of the Plant Branching Hormone, Strigolactone
Curr.Biol., 22, 2012
4DOL
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BU of 4dol by Molmil
Crystal structure of Arabidopsis thaliana fatty-acid binding protein At1g53520 (AtFAP3)
Descriptor: At1g53520, PALMITIC ACID
Authors:Noel, J.P, Louie, G.V, Bowman, M.E.
Deposit date:2012-02-09
Release date:2012-05-09
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Evolution of the chalcone-isomerase fold from fatty-acid binding to stereospecific catalysis.
Nature, 485, 2012
4DPP
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BU of 4dpp by Molmil
The structure of dihydrodipicolinate synthase 2 from Arabidopsis thaliana
Descriptor: Dihydrodipicolinate synthase 2, chloroplastic, SODIUM ION
Authors:Griffin, M.D.W, Billakanti, J.M, Gerrard, J.A, Dobson, R.C.J, Pearce, F.G.
Deposit date:2012-02-14
Release date:2012-07-18
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Characterisation of the first enzymes committed to lysine biosynthesis in Arabidopsis thaliana
Plos One, 7, 2012
6WAQ
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BU of 6waq by Molmil
Crystal structure of the SARS-CoV-1 RBD bound by the cross-reactive single-domain antibody SARS VHH-72
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, nanobody SARS VHH-72
Authors:Wrapp, D, McLellan, J.S.
Deposit date:2020-03-25
Release date:2020-04-01
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Basis for Potent Neutralization of Betacoronaviruses by Single-Domain Camelid Antibodies.
Cell, 181, 2020
4LYW
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BU of 4lyw by Molmil
Crystal Structure of BRD4(1) bound to inhibitor XD14
Descriptor: 4-acetyl-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide, Bromodomain-containing protein 4
Authors:Wohlwend, D, Gerhardt, S, Einsle, O.
Deposit date:2013-07-31
Release date:2014-01-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:4-Acyl pyrroles: mimicking acetylated lysines in histone code reading.
Angew.Chem.Int.Ed.Engl., 52, 2013
4LZ7
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BU of 4lz7 by Molmil
Crystal structures of GLuR2 ligand-binding-domain in complex with glutamate and positive allosteric modulators
Descriptor: GLUTAMIC ACID, Glutamate receptor 2, N-({(5S)-3-[3-fluoro-4-(pyrrolidin-1-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl}methyl)acetamide, ...
Authors:Pandit, J.
Deposit date:2013-07-31
Release date:2013-12-04
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery and Characterization of a Novel Dihydroisoxazole Class of alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid (AMPA) Receptor Potentiators.
J.Med.Chem., 56, 2013
4DPQ
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BU of 4dpq by Molmil
The structure of dihydrodipicolinate synthase 2 from Arabidopsis thaliana in complex with (S)-lysine
Descriptor: Dihydrodipicolinate synthase 2, chloroplastic, LYSINE, ...
Authors:Griffin, M.D.W, Billakanti, J.M, Gerrard, J.A, Dobson, R.C.J, Pearce, F.G.
Deposit date:2012-02-14
Release date:2012-07-18
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.202 Å)
Cite:Characterisation of the first enzymes committed to lysine biosynthesis in Arabidopsis thaliana
Plos One, 7, 2012
4LU4
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BU of 4lu4 by Molmil
Crystal Structure of the N-terminal Fic Domain of a Putative Cell Filamentation protein (VirB-translocated Bep effector protein) from Bartonella quintana
Descriptor: BROMIDE ION, CHLORIDE ION, IODIDE ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2013-07-24
Release date:2014-08-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Evolutionary Diversification of Host-Targeted Bartonella Effectors Proteins Derived from a Conserved FicTA Toxin-Antitoxin Module.
Microorganisms, 9, 2021
4DR1
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BU of 4dr1 by Molmil
Crystal structure of the apo 30S ribosomal subunit from Thermus thermophilus (HB8)
Descriptor: 16S rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
Authors:Demirci, H, Murphy IV, F, Murphy, E, Gregory, S.T, Dahlberg, A.E, Jogl, G.
Deposit date:2012-02-16
Release date:2012-11-14
Last modified:2025-02-19
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:A structural basis for streptomycin-induced misreading of the genetic code.
Nat Commun, 4, 2013
4LZR
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BU of 4lzr by Molmil
Crystal Structure of BRD4(1) bound to Colchicine
Descriptor: Bromodomain-containing protein 4, N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]ethanamide
Authors:Wohlwend, D, Gerhardt, S, Einsle, O, Huegle, M.
Deposit date:2013-08-01
Release date:2014-01-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:4-Acyl pyrroles: mimicking acetylated lysines in histone code reading.
Angew.Chem.Int.Ed.Engl., 52, 2013
4DQ1
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BU of 4dq1 by Molmil
Thymidylate synthase from Staphylococcus aureus.
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Thymidylate synthase
Authors:Osipiuk, J, Holowicki, J, Jedrzejczak, R, Rubin, E, Guinn, K, Ioerger, T, Baker, D, Sacchettini, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors (MTBI)
Deposit date:2012-02-14
Release date:2012-03-21
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Thymidylate synthase from Staphylococcus aureus.
To be Published
4LZZ
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BU of 4lzz by Molmil
Nucleotide-induced asymmetry within atpase activator ring drives s54-RNAP interaction and ATP hydrolysis
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Transcriptional regulator (NtrC family), ...
Authors:Sysoeva, T.A, Chowdhury, S, Guo, L, Nixon, B.T.
Deposit date:2013-08-01
Release date:2013-12-04
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.21 Å)
Cite:Nucleotide-induced asymmetry within ATPase activator ring drives sigma 54-RNAP interaction and ATP hydrolysis.
Genes Dev., 27, 2013
4DQE
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BU of 4dqe by Molmil
Crystal Structure of (G16C/L38C) HIV-1 Protease in Complex with DRV
Descriptor: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, ACETATE ION, Aspartyl protease
Authors:Schiffer, C.A, Mittal, S.
Deposit date:2012-02-15
Release date:2012-03-07
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Hydrophobic core flexibility modulates enzyme activity in HIV-1 protease.
J.Am.Chem.Soc., 134, 2012
4DUC
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BU of 4duc by Molmil
cytochrome P450 BM3h-2G9 MRI sensor, no ligand
Descriptor: PROTOPORPHYRIN IX CONTAINING FE, cytochrome P450 BM3 variant 2G9
Authors:Brustad, E.M, Lelyveld, V.S, Snow, C.D, Crook, N, Martinez, F.M, Scholl, T.J, Jasanoff, A, Arnold, F.H.
Deposit date:2012-02-21
Release date:2012-06-13
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Structure-guided directed evolution of highly selective p450-based magnetic resonance imaging sensors for dopamine and serotonin.
J.Mol.Biol., 422, 2012
4DR6
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BU of 4dr6 by Molmil
Crystal structure of the Thermus thermophilus (HB8) 30S ribosomal subunit with codon, near-cognate transfer RNA anticodon stem-loop mismatched at the first codon position and streptomycin bound
Descriptor: 16S rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
Authors:Demirci, H, Murphy IV, F, Murphy, E, Gregory, S.T, Dahlberg, A.E, Jogl, G.
Deposit date:2012-02-16
Release date:2012-11-14
Last modified:2025-02-19
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:A structural basis for streptomycin-induced misreading of the genetic code.
Nat Commun, 4, 2013
4M2Y
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BU of 4m2y by Molmil
Structure of human DNA polymerase beta complexed with 8-BrG as the template base in a 1-nucleotide gapped DNA
Descriptor: DNA polymerase beta, SODIUM ION, down-primer, ...
Authors:Koag, M.C, Min, K, Monzingo, A.F, Lee, S.
Deposit date:2013-08-05
Release date:2014-01-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Structural basis for promutagenicity of 8-halogenated Guanine.
J.Biol.Chem., 289, 2014
4DUE
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BU of 4due by Molmil
cytochrome P450 BM3h-2G9C6 MRI sensor bound to serotonin
Descriptor: PROTOPORPHYRIN IX CONTAINING FE, SEROTONIN, cytochrome P450 BM3 variant 2G9C6
Authors:Brustad, E.M, Lelyveld, V.S, Snow, C.D, Crook, N, Martinez, F.M, Scholl, T.J, Jasanoff, A, Arnold, F.H.
Deposit date:2012-02-21
Release date:2012-06-13
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure-guided directed evolution of highly selective p450-based magnetic resonance imaging sensors for dopamine and serotonin.
J.Mol.Biol., 422, 2012
4DV0
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BU of 4dv0 by Molmil
Crystal structure of the Thermus thermophilus 30S ribosomal subunit with a 16S rRNA mutation, U20G
Descriptor: 16S rRNA, MAGNESIUM ION, ZINC ION, ...
Authors:Demirci, H, Murphy IV, F, Murphy, E, Gregory, S.T, Dahlberg, A.E, Jogl, G.
Deposit date:2012-02-22
Release date:2013-02-27
Last modified:2025-02-19
Method:X-RAY DIFFRACTION (3.853 Å)
Cite:A structural basis for streptomycin resistance
To be Published
4DW8
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BU of 4dw8 by Molmil
Crystal structure of a haloacid dehalogenase-like hydrolase (Target EFI-900331) from Bacteroides thetaiotaomicron with bound Na crystal form I
Descriptor: Haloacid dehalogenase-like hydrolase, SODIUM ION, UNKNOWN LIGAND
Authors:Vetting, M.W, Wasserman, S.R, Morisco, L.L, Sojitra, S, Allen, K.N, Dunaway-Mariano, D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2012-02-24
Release date:2012-03-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.502 Å)
Cite:Crystal structure of a haloacid dehalogenase-like hydrolase (Target EFI-900331) from Bacteroides thetaiotaomicron with bound Na crystal form I
To be Published
4DWE
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BU of 4dwe by Molmil
Crystal structure of a putative polysaccharide deacetylase (BACOVA_03992) from Bacteroides ovatus ATCC 8483 at 2.01 A resolution
Descriptor: GLYCEROL, uncharacterized protein
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2012-02-24
Release date:2012-05-02
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Crystal structure of a hypothetical protein (BACOVA_03992) from Bacteroides ovatus ATCC 8483 at 2.01 A resolution
To be published
4DWS
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BU of 4dws by Molmil
Crystal Structure of a chitinase from the Yersinia entomophaga toxin complex
Descriptor: Chi2, GLYCEROL
Authors:Busby, J.N, Hurst, M.R.H, Lott, J.S.
Deposit date:2012-02-26
Release date:2013-02-27
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The BC component of ABC toxins is an RHS-repeat-containing protein encapsulation device.
Nature, 501, 2013

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