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3DDC
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BU of 3ddc by Molmil
Crystal Structure of NORE1A in Complex with RAS
Descriptor: GTPase HRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
Authors:Stieglitz, B, Bee, C, Schwarz, D, Yildiz, O, Moshnikova, A, Khokhlatchev, A, Herrmann, C.
Deposit date:2008-06-05
Release date:2008-07-15
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Novel type of Ras effector interaction established between tumour suppressor NORE1A and Ras switch II
Embo J., 27, 2008
1IOV
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BU of 1iov by Molmil
COMPLEX OF D-ALA:D-ALA LIGASE WITH ADP AND A PHOSPHORYL PHOSPHONATE
Descriptor: 2-[(1-AMINO-ETHYL)-PHOSPHATE-PHOSPHINOYLOXY]-BUTYRIC ACID, ADENOSINE-5'-DIPHOSPHATE, D-ALA:D-ALA LIGASE, ...
Authors:Knox, J.R, Moews, P.C, Fan, C.
Deposit date:1996-09-20
Release date:1997-02-12
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:D-alanine:D-alanine ligase: phosphonate and phosphinate intermediates with wild type and the Y216F mutant.
Biochemistry, 36, 1997
3DNP
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BU of 3dnp by Molmil
Crystal structure of Stress response protein yhaX from Bacillus subtilis
Descriptor: 1,2-ETHANEDIOL, MAGNESIUM ION, Stress response protein yhaX
Authors:Chang, C, Tesar, C, Jedrzejczak, R, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2008-07-02
Release date:2008-07-29
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structure of Stress response protein yhaX from Bacillus subtilis
To be Published
2BHV
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BU of 2bhv by Molmil
Structure of ComB10 of the Com Type IV secretion system of Helicobacter pylori
Descriptor: COMB10
Authors:Terradot, L, Oomen, C, Bayliss, R, Leonard, G, Waksman, G.
Deposit date:2005-01-18
Release date:2005-03-16
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structures of Two Core Subunits of the Bacterial Type Iv Secretion System, Virb8 from Brucella Suis and Comb10 from Helicobacter Pylori
Proc.Natl.Acad.Sci.USA, 102, 2005
5ZW5
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BU of 5zw5 by Molmil
Structure of SeMet-spAimR
Descriptor: AimR transcriptional regulator
Authors:Cheng, W, Dou, C.
Deposit date:2018-05-14
Release date:2018-08-29
Last modified:2019-03-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural and functional insights into the regulation of the lysis-lysogeny decision in viral communities.
Nat Microbiol, 3, 2018
4UF0
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BU of 4uf0 by Molmil
Crystal structure of JmjC domain of human histone demethylase UTY in complex with epitherapuetic compound 2-(((2-((2-(dimethylamino)ethyl) (ethyl)amino)-2-oxoethyl)amino)methyl)isonicotinic acid.
Descriptor: 1,2-ETHANEDIOL, 2-{[(2-{[(E)-2-(dimethylamino)ethenyl](ethyl)amino}-2-oxoethyl)amino]methyl}pyridine-4-carboxylic acid, FE (II) ION, ...
Authors:Srikannathasan, V, Johansson, C, Gileadi, C, Tobias, K, Kopec, J, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.
Deposit date:2014-12-22
Release date:2015-01-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Structural Analysis of Human Kdm5B Guides Histone Demethylase Inhibitor Development.
Nat.Chem.Biol., 12, 2016
1IOW
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BU of 1iow by Molmil
COMPLEX OF Y216F D-ALA:D-ALA LIGASE WITH ADP AND A PHOSPHORYL PHOSPHINATE
Descriptor: 1(S)-AMINOETHYL-(2-CARBOXYPROPYL)PHOSPHORYL-PHOSPHINIC ACID, ADENOSINE-5'-DIPHOSPHATE, D-ALA:D-ALA LIGASE, ...
Authors:Knox, J.R, Moews, P.C, Fan, C.
Deposit date:1996-09-20
Release date:1997-02-12
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:D-alanine:D-alanine ligase: phosphonate and phosphinate intermediates with wild type and the Y216F mutant.
Biochemistry, 36, 1997
3DHP
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BU of 3dhp by Molmil
Probing the role of aromatic residues at the secondary saccharide binding sites of human salivary alpha-amylase in substrate hydrolysis and bacterial binding
Descriptor: 4-amino-4,6-dideoxy-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, 5-HYDROXYMETHYL-CHONDURITOL, Alpha-amylase 1, ...
Authors:Ragunath, C, Manuel, S.G.A, Sait, H.M, Kasinathan, C.
Deposit date:2008-06-18
Release date:2008-07-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Probing the role of aromatic residues
To be Published
5ZVW
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BU of 5zvw by Molmil
Structure of phAimR-Ligand
Descriptor: AimR transcriptional regulator, SER-ALA-ILE-ARG-GLY-ALA
Authors:Cheng, W, Dou, C.
Deposit date:2018-05-13
Release date:2018-09-05
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.292 Å)
Cite:Structural and functional insights into the regulation of the lysis-lysogeny decision in viral communities.
Nat Microbiol, 3, 2018
3MAO
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BU of 3mao by Molmil
Crystal Structure of Human Methionine-R-Sulfoxide Reductase B1 (MsrB1)
Descriptor: FE (III) ION, MALONATE ION, Methionine-R-sulfoxide reductase B1, ...
Authors:Chaikuad, A, Shafqat, N, Yue, W.W, Savitsky, P, Krojer, T, Ugochukwu, E, Muniz, J.R.C, Pike, A.C.W, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Oppermann, U, Structural Genomics Consortium (SGC)
Deposit date:2010-03-24
Release date:2010-04-07
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Crystal Structure of Human Methionine-R-Sulfoxide Reductase B1 (MsrB1)
To be Published
3DFA
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BU of 3dfa by Molmil
Crystal structure of kinase domain of calcium-dependent protein kinase cgd3_920 from Cryptosporidium parvum
Descriptor: Calcium-dependent protein kinase cgd3_920
Authors:Wernimont, A.K, Lew, J, Lin, Y.H, Hassanali, A, Khuu, C, Alam, Z, Kozieradzki, I, Cossar, D, Bochkarev, A, Arrowsmith, C.H, Bountra, C, Wilkstrom, M, Edwards, A.M, Hui, R, Artz, J.D, Xiao, T, Structural Genomics Consortium (SGC)
Deposit date:2008-06-11
Release date:2008-07-29
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Crystal structure of kinase domain of calcium-dependent protein kinase cgd3_920 from Cryptosporidium parvum.
To be Published
3DP8
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BU of 3dp8 by Molmil
Structural characterization of a putative endogenous metal chelator in the periplasmic nickel transporter NikA (nickel butane-1,2,4-tricarboxylate form)
Descriptor: (2R)-butane-1,2,4-tricarboxylic acid, ACETATE ION, CHLORIDE ION, ...
Authors:Cherrier, M.V, Cavazza, C, Bochot, C, Lemaire, D, Fontecilla-Camps, J.C.
Deposit date:2008-07-07
Release date:2008-09-16
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural characterization of a putative endogenous metal chelator in the periplasmic nickel transporter NikA
Biochemistry, 47, 2008
5ZWR
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BU of 5zwr by Molmil
Structural Basis for the Enantioselectivity of Est-Y29 toward (S)-ketoprofen
Descriptor: (2S)-2-[3-(benzenecarbonyl)phenyl]propanoic acid, Est-Y29, GLYCEROL
Authors:Ngo, D.T, Oh, C, Park, K, Nguyen, L, Byun, H.M, Kim, S, Yoon, S, Ryu, Y, Ryu, B.H, Kim, T.D, Kim, K.K.
Deposit date:2018-05-16
Release date:2019-03-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Structural Basis for the Enantioselectivity of Esterase Est-Y29 toward (S)-Ketoprofen
Acs Catalysis, 9, 2019
1JCP
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BU of 1jcp by Molmil
Solution structure of the lactam analogue EDap of HIV gp41 600-612 loop.
Descriptor: Edap : ACE-Ile-Trp-Glu-Ser-Gly-Lys-Leu-Ile-Dap-Thr-Thr-Ala ANALOGUE OF HIV GP41
Authors:Phan Chan Du, A, Limal, D, Semetey, V, Dali, H, Jolivet, M, Desgranges, C, Cung, M.T, Briand, J.P, Petit, M.C, Muller, S.
Deposit date:2001-06-11
Release date:2003-07-01
Last modified:2021-10-27
Method:SOLUTION NMR
Cite:Structural and immunological characterisation of heteroclitic peptide analogues corresponding to the 600-612 region of the HIV envelope gp41 glycoprotein.
J.Mol.Biol., 323, 2002
3DET
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BU of 3det by Molmil
Structure of the E148A, Y445A doubly ungated mutant of E.coli CLC_Ec1, Cl-/H+ antiporter
Descriptor: Fab fragment, Heavy chain, Light chain, ...
Authors:Jayaram, H, Accardi, A, Wu, F, Williams, C, Miller, C.
Deposit date:2008-06-10
Release date:2008-06-17
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Ion permeation through a Cl--selective channel designed from a CLC Cl-/H+ exchanger
Proc.Natl.Acad.Sci.USA, 105, 2008
3MR3
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BU of 3mr3 by Molmil
Human DNA polymerase eta - DNA ternary complex with the 3'T of a CPD in the active site (TT1)
Descriptor: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine, DNA (5'-D(*CP*AP*(TTD)P*AP*TP*GP*AP*CP*GP*CP*T)-3'), DNA (5'-D(*CP*AP*GP*CP*GP*TP*CP*AP*T)-3'), ...
Authors:Biertumpfel, C, Zhao, Y, Ramon-Maiques, S, Gregory, M.T, Lee, J.Y, Yang, W.
Deposit date:2010-04-28
Release date:2010-06-30
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure and mechanism of human DNA polymerase eta.
Nature, 465, 2010
5ZWQ
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BU of 5zwq by Molmil
Structural Basis for the Enantioselectivity of Est-Y29 toward (S)-ketoprofen
Descriptor: Est-Y29, GLYCEROL, ethyl (2S)-2-[3-(benzenecarbonyl)phenyl]propanoate
Authors:Ngo, D.T, Oh, C, Park, K, Nguyen, L, Byun, H.M, Kim, S, Yoon, S, Ryu, Y, Ryu, B.H, Kim, T.D, Yang, J.W, Kim, K.K.
Deposit date:2018-05-16
Release date:2019-03-13
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.797 Å)
Cite:Structural Basis for the Enantioselectivity of Esterase Est-Y29 toward (S)-Ketoprofen
Acs Catalysis, 9, 2019
4UUU
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BU of 4uuu by Molmil
1.7 A resolution structure of human cystathionine beta-synthase regulatory domain (del 516-525) in complex with SAM
Descriptor: 1,2-ETHANEDIOL, CYSTATHIONINE BETA-SYNTHASE, S-ADENOSYLMETHIONINE
Authors:Kopec, J, McCorvie, T.J, Fitzpatrick, F, Strain-Damerell, C, Froese, D.S, Tallant, C, Burgess-Brown, N, Arrowsmith, C, Edwards, A, Bountra, C, Yue, W.W.
Deposit date:2014-07-31
Release date:2014-08-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Inter-Domain Communication of Human Cystathionine Beta Synthase: Structural Basis of S-Adenosyl-L-Methionine Activation.
J.Biol.Chem., 289, 2014
4WR5
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BU of 4wr5 by Molmil
Crystal Structure of GST Mutated with Halogenated Tyrosine (7cGST-1)
Descriptor: GLUTATHIONE, Glutathione S-transferase class-mu 26 kDa isozyme, SULFATE ION
Authors:Akasaka, R, Kawazoe, M, Tomabechi, Y, Ohtake, K, Itagaki, T, Takemoto, C, Shirouzu, M, Yokoyama, S, Sakamoto, K.
Deposit date:2014-10-23
Release date:2015-08-19
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Protein stabilization utilizing a redefined codon
Sci Rep, 5, 2015
6Q8Z
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BU of 6q8z by Molmil
Structure of human galactokinase 1 bound with N-(Cyclobutylmethyl)-1,5-dimethyl-1H-pyrazole-4-carboxamide
Descriptor: 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one, Galactokinase, beta-D-galactopyranose, ...
Authors:Mackinnon, S.R, Bezerra, G.A, Zhang, M, Foster, W, Krojer, T, Brandao-Neto, J, Douangamath, A, Arrowsmith, C, Edwards, A, Bountra, C, Brennan, P, Lai, K, Yue, W.W.
Deposit date:2018-12-16
Release date:2019-01-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of human galactokinase 1 bound with N-(Cyclobutylmethyl)-1,5-dimethyl-1H-pyrazole-4-carboxamide
To Be Published
4WSE
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BU of 4wse by Molmil
Crystal structure of the Mimivirus polyadenylate synthase
Descriptor: Putative poly(A) polymerase catalytic subunit
Authors:Priet, S, Lartigue, A, Claverie, J.M, Abergel, C.
Deposit date:2014-10-27
Release date:2015-04-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:mRNA maturation in giant viruses: variation on a theme.
Nucleic Acids Res., 43, 2015
6Q91
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BU of 6q91 by Molmil
Structure of human galactokinase 1 bound with 5-Chloro-N-isobutyl-2-methoxybenzamide
Descriptor: 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one, 5-chloranyl-2-methoxy-~{N}-(2-methylpropyl)benzamide, Galactokinase, ...
Authors:Mackinnon, S.R, Bezerra, G.A, Zhang, M, Foster, W, Krojer, T, Brandao-Neto, J, Douangamath, A, Arrowsmith, C, Edwards, A, Bountra, C, Brennan, P, Lai, K, Yue, W.W.
Deposit date:2018-12-17
Release date:2019-01-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of human galactokinase 1 bound with 5-Chloro-N-isobutyl-2-methoxybenzamide
To Be Published
4WO0
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BU of 4wo0 by Molmil
Crystal structure of transthyretin in complex with apigenin
Descriptor: 5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one, Transthyretin
Authors:Zanotti, G, Cianci, M, Folli, C, Berni, R.
Deposit date:2014-10-15
Release date:2015-08-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.339 Å)
Cite:Structural evidence for asymmetric ligand binding to transthyretin.
Acta Crystallogr.,Sect.D, 71, 2015
4WW0
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BU of 4ww0 by Molmil
Truncated FtsH from A. aeolicus
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATP-dependent zinc metalloprotease FtsH, ZINC ION
Authors:Vostrukhina, M, Baumann, U, Schacherl, M, Bieniossek, C, Lanz, M, Baumgartner, R.
Deposit date:2014-11-09
Release date:2015-05-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.96 Å)
Cite:The structure of Aquifex aeolicus FtsH in the ADP-bound state reveals a C2-symmetric hexamer.
Acta Crystallogr.,Sect.D, 71, 2015
5HT6
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BU of 5ht6 by Molmil
Crystal structure of the SET domain of the human MLL5 methyltransferase
Descriptor: Histone-lysine N-methyltransferase 2E
Authors:le Maire, A, Mas-y-Mas, S, Dumas, C, Lebedev, A.
Deposit date:2016-01-26
Release date:2016-11-16
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.093 Å)
Cite:The Human Mixed Lineage Leukemia 5 (MLL5), a Sequentially and Structurally Divergent SET Domain-Containing Protein with No Intrinsic Catalytic Activity.
Plos One, 11, 2016

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