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6G6E
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BU of 6g6e by Molmil
Crystal structure of a parallel seven-helix coiled coil CC-Type2-deLI
Descriptor: CC-Type2-deLI, GLYCEROL
Authors:Rhys, G.G, Brady, R.L, Woolfson, D.N.
Deposit date:2018-04-01
Release date:2018-10-17
Method:X-RAY DIFFRACTION (1.26 Å)
Cite:Maintaining and breaking symmetry in homomeric coiled-coil assemblies.
Nat Commun, 9, 2018
2Z9B
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BU of 2z9b by Molmil
The crystal structure of AzoR (azoreductase) from Escherichia coli: Reduced AzoR in tetragonal crystals
Descriptor: 1,2-ETHANEDIOL, FLAVIN MONONUCLEOTIDE, FMN-dependent NADH-azoreductase
Authors:Ito, K.
Deposit date:2007-09-18
Release date:2008-03-11
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Expansion of Substrate Specificity and Catalytic Mechanism of Azoreductase by X-ray Crystallography and Site-directed Mutagenesis
J.Biol.Chem., 283, 2008
6K1I
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BU of 6k1i by Molmil
Human nucleosome core particle with gammaH2A.X variant
Descriptor: CHLORIDE ION, DNA (147-MER), Histone H2AX, ...
Authors:Sharma, D, De Falco, L, Davey, C.A.
Deposit date:2019-05-10
Release date:2020-01-15
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:PARP1 exhibits enhanced association and catalytic efficiency with gamma H2A.X-nucleosome.
Nat Commun, 10, 2019
6K1K
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BU of 6k1k by Molmil
Human nucleosome core particle with H2A.X S139E variant
Descriptor: CHLORIDE ION, DNA (145-MER), Histone H2AX, ...
Authors:Sharma, D, De Falco, L, Davey, C.A.
Deposit date:2019-05-10
Release date:2020-01-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:PARP1 exhibits enhanced association and catalytic efficiency with gamma H2A.X-nucleosome.
Nat Commun, 10, 2019
3LGY
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BU of 3lgy by Molmil
R178A mutant of the DegS-deltaPDZ protease
Descriptor: CHLORIDE ION, MAGNESIUM ION, Protease degS
Authors:Sohn, J, Grant, R.A, Sauer, R.T.
Deposit date:2010-01-21
Release date:2010-08-25
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Allostery is an intrinsic property of the protease domain of DegS: implications for enzyme function and evolution.
J.Biol.Chem., 285, 2010
3LGW
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BU of 3lgw by Molmil
H198P/T167V double mutant of DegS-deltaPDZ protease
Descriptor: Protease degS
Authors:Sohn, J, Grant, R.A, Sauer, R.T.
Deposit date:2010-01-21
Release date:2010-08-25
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Allostery is an intrinsic property of the protease domain of DegS: implications for enzyme function and evolution.
J.Biol.Chem., 285, 2010
7RHO
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BU of 7rho by Molmil
Human IgG1 Fc fragment, hinge-free, expressed in E. coli
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Fc fragment of human IgG1
Authors:Gallagher, D.T.
Deposit date:2021-07-18
Release date:2022-11-09
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Effects of glycans and hinge on dynamics in the IgG1 Fc.
J.Biomol.Struct.Dyn., 2023
6WE2
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BU of 6we2 by Molmil
Human PARP14 (ARTD8), catalytic fragment in complex with RBN012759
Descriptor: 1,2-ETHANEDIOL, 7-(cyclopropylmethoxy)-5-fluoro-2-{[(trans-4-hydroxycyclohexyl)sulfanyl]methyl}quinazolin-4(3H)-one, Isoform 1 of Protein mono-ADP-ribosyltransferase PARP14
Authors:Swinger, K.K, Schenkel, L.B, Kuntz, K.W.
Deposit date:2020-04-01
Release date:2021-03-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:A potent and selective PARP14 inhibitor decreases protumor macrophage gene expression and elicits inflammatory responses in tumor explants.
Cell Chem Biol, 28, 2021
4GNK
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BU of 4gnk by Molmil
Crystal structure of Galphaq in complex with full-length human PLCbeta3
Descriptor: 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase beta-3, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Lyon, A.M, Tesmer, J.J.G.
Deposit date:2012-08-17
Release date:2013-02-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (4 Å)
Cite:Full-length G alpha (q)-phospholipase C-beta 3 structure reveals interfaces of the C-terminal coiled-coil domain.
Nat.Struct.Mol.Biol., 20, 2013
5XGW
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BU of 5xgw by Molmil
Isoaspartyl dipeptidase from Colwellia psychrerythraea strain 34H
Descriptor: Isoaspartyl dipeptidase, ZINC ION
Authors:Lee, J.H, Lee, C.W, Park, S.H.
Deposit date:2017-04-18
Release date:2018-06-20
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structure and functional characterization of an isoaspartyl dipeptidase (CpsIadA) from Colwellia psychrerythraea strain 34H.
PLoS ONE, 12, 2017
4WAK
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BU of 4wak by Molmil
H. influenzae beta-carbonic anhydrase variant W39V/G41A
Descriptor: BICARBONATE ION, Carbonic anhydrase 2, POTASSIUM ION, ...
Authors:Hoffmann, K.M, Rowlett, R.S.
Deposit date:2014-08-29
Release date:2014-12-31
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Allosteric Reversion of Haemophilus influenzae beta-Carbonic Anhydrase via a Proline Shift.
Biochemistry, 54, 2015
5XGX
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BU of 5xgx by Molmil
Crystal structure of colwellia psychrerythraea strain 34H isoaspartyl dipeptidase E80Q mutant complexed with beta-isoaspartyl lysine
Descriptor: D-ASPARTIC ACID, D-LYSINE, Isoaspartyl dipeptidase, ...
Authors:Lee, J.H, Lee, C.W, Park, S.H.
Deposit date:2017-04-18
Release date:2018-02-28
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Crystal structure and functional characterization of an isoaspartyl dipeptidase (CpsIadA) from Colwellia psychrerythraea strain 34H.
PLoS ONE, 12, 2017
4WAM
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BU of 4wam by Molmil
H. influenzae beta-carbonic anhydrase variant W39V/G41A/P48S/A49P
Descriptor: PHOSPHATE ION, ZINC ION, beta-carbonic anhydrase
Authors:Rowlett, R.S, Hoffman, K.M.
Deposit date:2014-08-29
Release date:2014-12-31
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Allosteric Reversion of Haemophilus influenzae beta-Carbonic Anhydrase via a Proline Shift.
Biochemistry, 54, 2015
7KL8
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BU of 7kl8 by Molmil
Structure of F420 binding protein Rv1558 from Mycobacterium tuberculosis with F420 bound
Descriptor: COENZYME F420, COENZYME F420-3, Deazaflavin-dependent nitroreductase, ...
Authors:Lee, B.M, Tan, L.L, Jackson, C.J.
Deposit date:2020-10-29
Release date:2021-03-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.469 Å)
Cite:Potency boost of a Mycobacterium tuberculosis dihydrofolate reductase inhibitor by multienzyme F 420 H 2 -dependent reduction.
Proc.Natl.Acad.Sci.USA, 118, 2021
1PW6
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BU of 1pw6 by Molmil
Low Micromolar Small Molecule Inhibitor of IL-2
Descriptor: 2-CYCLOHEXYL-N-(2-{4-[5-(2,3-DICHLORO-PHENYL)-2H-PYRAZOL-3-YL]-PIPERIDIN-1-YL}-2-OXO-ETHYL)-2-GUANIDINO-ACETAMIDE, Interleukin-2, SULFATE ION
Authors:Thanos, C.D, Randal, M, Wells, J.A.
Deposit date:2003-06-30
Release date:2004-01-13
Last modified:2018-02-14
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Potent small-molecule binding to a dynamic hot spot on IL-2.
J.Am.Chem.Soc., 125, 2003
2W8X
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BU of 2w8x by Molmil
Structure of the tick ion-channel modulator Ra-KLP
Descriptor: ACETATE ION, GLYCEROL, IMIDAZOLE, ...
Authors:Paesen, G.C, Siebold, C, Dallas, M, Peers, C, Harlos, K, Nuttall, P.A, Nunn, M.A, Stuart, D.I, Esnouf, R.M.
Deposit date:2009-01-20
Release date:2009-05-05
Last modified:2017-06-28
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:An Ion-Channel Modulator from the Saliva of the Brown Ear Tick Has a Highly Modified Kunitz/Bpti Structure.
J.Mol.Biol., 389, 2009
1PY2
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BU of 1py2 by Molmil
Structure of a 60 nM Small Molecule Bound to a Hot Spot on IL-2
Descriptor: 5-[2,3-DICHLORO-4-(5-{1-[2-(2-GUANIDINO-4-METHYL-PENTANOYLAMINO)-ACETYL]-PIPERIDIN-4-YL}-1-METHYL-1H-PYRAZOL-3-YL)-PHENOXYMETHYL]-FURAN-2-CARBOXYLIC ACID, Interleukin-2, ZINC ION
Authors:Thanos, C.D, Randal, M, Wells, J.A.
Deposit date:2003-07-07
Release date:2004-01-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Potent small-molecule binding to a dynamic hot spot on IL-2.
J.Am.Chem.Soc., 125, 2003
5VU0
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BU of 5vu0 by Molmil
Crystal structure of the complex between afucosylated/galactosylated human IgG1 Fc and Fc gamma receptor IIIa (CD16A) with Man5 N-glycans
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ...
Authors:Subedi, G.S, Marcella, A.M, Barb, A.W.
Deposit date:2017-05-18
Release date:2018-05-23
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Antibody Fucosylation Lowers the Fc gamma RIIIa/CD16a Affinity by Limiting the Conformations Sampled by the N162-Glycan.
ACS Chem. Biol., 13, 2018
7OIN
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BU of 7oin by Molmil
Crystal structure of LSSmScarlet - a genetically encoded red fluorescent protein with a large Stokes shift
Descriptor: LSSmScarlet - Genetically Encoded Red Fluorescent Proteins with a Large Stokes Shift, SODIUM ION, SULFATE ION
Authors:Boyko, K.M, Nikolaeva, A.Y, Dorovatovskii, P.V, Subach, O.M, Vlaskina, A.V, Agapova, Y.K, Ivashkina, O.I, Popov, V.O, Subach, F.V.
Deposit date:2021-05-12
Release date:2022-02-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:LSSmScarlet, dCyRFP2s, dCyOFP2s and CRISPRed2s, Genetically Encoded Red Fluorescent Proteins with a Large Stokes Shift.
Int J Mol Sci, 22, 2021
1Q18
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BU of 1q18 by Molmil
Crystal structure of E.coli glucokinase (Glk)
Descriptor: Glucokinase
Authors:Lunin, V.V, Li, Y, Schrag, J.D, Matte, A, Cygler, M, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI)
Deposit date:2003-07-18
Release date:2004-07-27
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Crystal structures of Escherichia coli ATP-dependent glucokinase and its complex with glucose.
J.Bacteriol., 186, 2004
7L05
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BU of 7l05 by Molmil
Complex of novel maytansinoid M24 bound to T2R-TTL (two tubulin alpha/beta heterodimers, RB3 stathmin-like domain, and tubulin tyrosine ligase)
Descriptor: (1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl (2S)-2-{methyl[3-(methylamino)propanoyl]amino}propanoate (non-preferred name), 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
Authors:Franklin, M.C.
Deposit date:2020-12-11
Release date:2021-12-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:A Biparatopic Antibody-Drug Conjugate to Treat MET-Expressing Cancers, Including Those that Are Unresponsive to MET Pathway Blockade.
Mol.Cancer Ther., 20, 2021
3KV0
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BU of 3kv0 by Molmil
Crystal structure of HET-C2: A FUNGAL GLYCOLIPID TRANSFER PROTEIN (GLTP)
Descriptor: HET-C2
Authors:Simanshu, D.K, Kenoth, R, Brown, R.E, Patel, D.J.
Deposit date:2009-11-28
Release date:2010-02-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural determination and tryptophan fluorescence of heterokaryon incompatibility C2 protein (HET-C2), a fungal glycolipid transfer protein (GLTP), provide novel insights into glycolipid specificity and membrane interaction by the GLTP fold.
J.Biol.Chem., 285, 2010
3E6R
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BU of 3e6r by Molmil
Crystal structure of apo-ferritin from Pseudo-nitzschia multiseries
Descriptor: Ferritin, SULFATE ION
Authors:Murphy, M.E.P, Arrieta, A.L.
Deposit date:2008-08-15
Release date:2008-11-25
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Ferritin is used for iron storage in bloom-forming marine pennate diatoms.
Nature, 457, 2009
3E6S
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BU of 3e6s by Molmil
Crystal structure of ferritin soaked with iron from Pseudo-nitzschia multiseries
Descriptor: FE (III) ION, Ferritin, SULFATE ION
Authors:Murphy, M.E.P, Arrieta, A.L.
Deposit date:2008-08-15
Release date:2008-11-25
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Ferritin is used for iron storage in bloom-forming marine pennate diatoms.
Nature, 457, 2009
4EZU
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BU of 4ezu by Molmil
Crystal structure of the substrate binding domain of E.coli DnaK in complex with PR-bombesin in space group I222
Descriptor: Chaperone protein DnaK, Proline rich bombesin-related protein
Authors:Zahn, M, Straeter, N.
Deposit date:2012-05-03
Release date:2013-04-24
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural studies of DnaK in complex with proline rich antimicrobial peptides reveal two different peptide binding modes
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