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3WW1
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BU of 3ww1 by Molmil
X-ray structure of Cellulomonas parahominis L-ribose isomerase with L-ribose
Descriptor: L-ribose, L-ribose isomerase, MANGANESE (II) ION, ...
Authors:Terami, Y, Yoshida, H, Takata, G, Kamitori, S.
Deposit date:2014-06-13
Release date:2015-04-29
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Essentiality of tetramer formation of Cellulomonas parahominis L-ribose isomerase involved in novel L-ribose metabolic pathway.
Appl.Microbiol.Biotechnol., 99, 2015
6P8W
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BU of 6p8w by Molmil
Crystal structure of human KRAS G12C covalently bound to an acryloylazetidine acetamide inhibitor.
Descriptor: CALCIUM ION, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Mohr, C.
Deposit date:2019-06-08
Release date:2019-08-28
Last modified:2019-10-02
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery ofN-(1-Acryloylazetidin-3-yl)-2-(1H-indol-1-yl)acetamides as Covalent Inhibitors of KRASG12C.
Acs Med.Chem.Lett., 10, 2019
6SYI
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BU of 6syi by Molmil
C-TERMINAL DOMAIN OF INFLUENZA POLYMERASE PA SUBUNIT AND OPTIMIZED SMALL PEPTIDE INHIBITOR
Descriptor: 1,2-ETHANEDIOL, PB1-11, Polymerase acidic protein, ...
Authors:Hejdanek, J, Pachl, P.
Deposit date:2019-09-30
Release date:2020-11-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:structural characterization of the interaction between the C-terminal domain of the influenza polymerase PA subunit and an optimized small peptide inhibitor.
Antiviral Res., 185, 2020
6VAU
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BU of 6vau by Molmil
Bare actin filament from a partially cofilin-decorated sample
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ...
Authors:Huehn, A.R, Bibeau, J.P, Schramm, A.C, Cao, W, De La Cruz, E.M, Sindelar, C.V.
Deposit date:2019-12-17
Release date:2020-01-01
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structures of cofilin-induced structural changes reveal local and asymmetric perturbations of actin filaments.
Proc.Natl.Acad.Sci.USA, 117, 2020
6SSD
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BU of 6ssd by Molmil
Transaminase with PLP bound
Descriptor: ForI-PLP, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION
Authors:Naismith, J.H, Gao, S.
Deposit date:2019-09-06
Release date:2020-01-15
Method:X-RAY DIFFRACTION (1.18 Å)
Cite:PMP-diketopiperazine adducts form at the active site of a PLP dependent enzyme involved in formycin biosynthesis.
Chem.Commun.(Camb.), 55, 2019
6SV5
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BU of 6sv5 by Molmil
Amicoumacin kinase AmiN in complex with ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Phosphotransferase enzyme family protein, amicoumacin kinase
Authors:Bourenkov, G.P, Mokrushina, Y.A, Terekhov, S.S, Smirnov, I.V, Gabibov, A.G, Altman, S.
Deposit date:2019-09-17
Release date:2020-07-22
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:A kinase bioscavenger provides antibiotic resistance by extremely tight substrate binding.
Sci Adv, 6, 2020
6VGS
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BU of 6vgs by Molmil
Alpha-ketoisovalerate decarboxylase (KivD) from Lactococcus lactis, thermostable mutant
Descriptor: Alpha-keto acid decarboxylase, MAGNESIUM ION, THIAMINE DIPHOSPHATE
Authors:Chan, S, Korman, T.P, Sawaya, M.R, Bowie, J.U.
Deposit date:2020-01-08
Release date:2020-08-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Isobutanol production freed from biological limits using synthetic biochemistry.
Nat Commun, 11, 2020
4IJ9
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BU of 4ij9 by Molmil
Bovine PKA C-alpha in complex with 2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(2-thiophenyl)ethanone
Descriptor: 2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(2-thiophenyl)ethanone, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha
Authors:Dreyer, M.K, Schiffer, A.
Deposit date:2012-12-21
Release date:2013-05-01
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Accounting for Conformational Variability in Protein-Ligand Docking with NMR-Guided Rescoring
J.Am.Chem.Soc., 135, 2013
3IGD
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BU of 3igd by Molmil
Crystal structure of Mtu recA intein, splicing domain
Descriptor: Endonuclease PI-MtuI, ZINC ION
Authors:Van Roey, P, Belfort, M.
Deposit date:2009-07-27
Release date:2009-10-06
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Selection and structure of hyperactive inteins: peripheral changes relayed to the catalytic center.
J.Mol.Biol., 393, 2009
6V02
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BU of 6v02 by Molmil
N-terminal 5 domains of CI-MPR
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Cation-independent mannose-6-phosphate receptor
Authors:Olson, L.J, Dahms, N.M, Kim, J.-J.P.
Deposit date:2019-11-18
Release date:2020-09-30
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Allosteric regulation of lysosomal enzyme recognition by the cation-independent mannose 6-phosphate receptor.
Commun Biol, 3, 2020
6SM0
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BU of 6sm0 by Molmil
Venus 66 p-Azido-L-Phenylalanin (azF) variant, dark grown
Descriptor: Green fluorescent protein, OXYGEN MOLECULE, SULFATE ION, ...
Authors:Rizkallah, P.J, Al Maslookhi, H.S, Jones, D.D.
Deposit date:2019-08-21
Release date:2021-02-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Stalling chromophore synthesis of the fluorescent protein Venus reveals the molecular basis of the final oxidation step.
Chem Sci, 12, 2021
6SMS
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BU of 6sms by Molmil
Vegetative Insecticidal Protein 1 (Vip1Ac1) from Bacillus thuringiensis
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, SULFATE ION, ...
Authors:Rizkallah, P.J, Al-Maslookhi, H.S, Berry, C, Jones, D.
Deposit date:2019-08-22
Release date:2021-02-10
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Bacillus thuringiensis insecticidal protein 1Ac, VIP1Ac
Not Published
6V6Q
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BU of 6v6q by Molmil
Crystal Structure of Monophosphorylated FGF Receptor 2 isoform IIIb with PTR657
Descriptor: Fibroblast growth factor receptor 2, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER
Authors:Lin, C.-C, Wieteska, L, Poncet-Montange, G, Suen, K.M, Arold, S.T, Ahmed, Z, Ladbury, J.E.
Deposit date:2019-12-05
Release date:2020-11-11
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:The combined action of the intracellular regions regulates FGFR2 kinase activity
Commun Biol, 6, 2023
6VAO
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BU of 6vao by Molmil
Human cofilin-1 decorated actin filament
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ...
Authors:Huehn, A.R, Bibeau, J.P, Schramm, A.C, Cao, W, De La Cruz, E.M, Sindelar, C.V.
Deposit date:2019-12-17
Release date:2020-01-08
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structures of cofilin-induced structural changes reveal local and asymmetric perturbations of actin filaments.
Proc.Natl.Acad.Sci.USA, 117, 2020
6VCZ
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BU of 6vcz by Molmil
Crystal structure of Arabidopsis thaliana S-adenosylmethionine Synthase 2 (AtMAT2)
Descriptor: 2-METHOXYETHANOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, MAGNESIUM ION, ...
Authors:Sekula, B, Ruszkowski, M, Dauter, Z.
Deposit date:2019-12-23
Release date:2020-02-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:S-adenosylmethionine synthases in plants: Structural characterization of type I and II isoenzymes from Arabidopsis thaliana and Medicago truncatula.
Int.J.Biol.Macromol., 151, 2020
6P0R
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BU of 6p0r by Molmil
Methyltransferase domain of human suppressor of variegation 3-9 homolog 2 (SUV39H2) in complex with OTS186935 inhibitor
Descriptor: (3S)-1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-N-[(pyridin-4-yl)methyl]pyrrolidin-3-amine, Histone-lysine N-methyltransferase SUV39H2, UNKNOWN ATOM OR ION, ...
Authors:Halabelian, L, Dong, A, Zeng, H, Loppnau, P, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Brown, P.J, Structural Genomics Consortium (SGC)
Deposit date:2019-05-17
Release date:2019-05-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Methyltransferase domain of human suppressor of variegation 3-9 homolog 2 (SUV39H2) in complex with OTS186935 inhibitor
to be published
6V7L
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BU of 6v7l by Molmil
The structure of the P212121 crystal form of canavalin at 173 K
Descriptor: BENZOIC ACID, Canavalin
Authors:McPherson, A.
Deposit date:2019-12-08
Release date:2020-02-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Binding of benzoic acid and anions within the cupin domains of the vicilin protein canavalin from jack bean (Canavalia ensiformis): Crystal structures.
Biochem.Biophys.Res.Commun., 524, 2020
3WB4
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BU of 3wb4 by Molmil
Crystal Structure of beta secetase in complex with 2-amino-3,6-dimethyl-6-(2-phenylethyl)-3,4,5,6-tetrahydropyrimidin-4-one
Descriptor: (6R)-2-amino-3,6-dimethyl-6-(2-phenylethyl)-5,6-dihydropyrimidin-4(3H)-one, Beta-secretase 1, GLYCEROL, ...
Authors:Yonezawa, S, Fujiwara, K, Yamamoto, T, Hattori, K, Yamakawa, H, Muto, C, Hosono, M, Tanaka, Y, Nakano, T, Takemoto, H, Arisawa, M, Shuto, S.
Deposit date:2013-05-13
Release date:2013-10-02
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Conformational restriction approach to beta-secretase (BACE1) inhibitors III: Effective investigation of the binding mode by combinational use of X-ray analysis, isothermal titration calorimetry and theoretical calculations
Bioorg.Med.Chem., 21, 2013
6PFL
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BU of 6pfl by Molmil
Crystal structure of Human HUWE1 WWE domain in complex with ADPR
Descriptor: ADENOSINE-5-DIPHOSPHORIBOSE, E3 ubiquitin-protein ligase HUWE1, UNKNOWN ATOM OR ION
Authors:Halabelian, L, Zeng, H, Dong, A, Loppnau, P, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC)
Deposit date:2019-06-21
Release date:2019-07-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of Human HUWE1 WWE domain in complex with ADPR
to be published
6VAD
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BU of 6vad by Molmil
Fanconi Anemia ID complex
Descriptor: Fanconi anemia group D2 protein, Fanconi anemia, complementation group I
Authors:Pavletich, N.P.
Deposit date:2019-12-17
Release date:2020-03-18
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:DNA clamp function of the monoubiquitinated Fanconi anaemia ID complex.
Nature, 580, 2020
4ILU
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BU of 4ilu by Molmil
Crystal structure of Mycobacterium tuberculosis CarD
Descriptor: RNA polymerase-binding transcription factor CarD, SULFATE ION
Authors:Thakur, K.G, Kaur, G.
Deposit date:2013-01-01
Release date:2013-10-30
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of Mycobacterium tuberculosis CarD, an essential RNA polymerase binding protein, reveals a quasidomain-swapped dimeric structural architecture.
Proteins, 82, 2014
6T1T
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BU of 6t1t by Molmil
Cytochrome P450 reductase in complex with NADPH from Candida tropicalis
Descriptor: FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Opperman, D.J, Sewell, B.T.
Deposit date:2019-10-06
Release date:2020-01-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Biochemical and structural insights into the cytochrome P450 reductase from Candida tropicalis.
Sci Rep, 9, 2019
6VG2
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BU of 6vg2 by Molmil
Crystal structure of the DNA binding domain of human transcription factor FLI1 in complex with 16-mer DNA CAGAGGATGTGGCTTC
Descriptor: DNA (5'-D(*GP*AP*AP*GP*CP*CP*AP*CP*TP*TP*CP*CP*GP*GP*TP*C)-3'), DNA (5'-D(*GP*AP*CP*CP*GP*GP*AP*AP*GP*TP*GP*GP*CP*TP*TP*C)-3'), Friend leukemia integration 1 transcription factor
Authors:Hou, C, Tsodikov, O.V.
Deposit date:2020-01-07
Release date:2020-11-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.9 Å)
Cite:Allosteric interference in oncogenic FLI1 and ERG transactions by mithramycins.
Structure, 29, 2021
6PBJ
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BU of 6pbj by Molmil
The structure of 3-deoxy-d-arabino-heptulosonate 7-phosphate synthase with Gly190Pro mutation
Descriptor: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, MANGANESE (II) ION, ...
Authors:Jiao, W, Fan, Y, Blackmore, N.J, Parker, E.J.
Deposit date:2019-06-13
Release date:2020-04-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A single amino acid substitution uncouples catalysis and allostery in an essential biosynthetic enzyme in Mycobacterium tuberculosis .
J.Biol.Chem., 295, 2020
6PJQ
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BU of 6pjq by Molmil
Time-resolved structural snapshot of proteolysis by GlpG inside the membrane
Descriptor: Peptide aldehyde inhibitor, Rhomboid protease GlpG
Authors:Urban, S, Cho, S.
Deposit date:2019-06-28
Release date:2019-11-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Ten catalytic snapshots of rhomboid intramembrane proteolysis from gate opening to peptide release.
Nat.Struct.Mol.Biol., 26, 2019

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PDB entries from 2024-08-21

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