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6HOP
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BU of 6hop by Molmil
Human protein kinase CK2 alpha in complex with curcumin degradation products
Descriptor: (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enal, (~{E})-4-(3-methoxy-4-oxidanyl-phenyl)but-3-en-2-one, 1,2-ETHANEDIOL, ...
Authors:Battistutta, R, Lolli, G.
Deposit date:2018-09-18
Release date:2019-10-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Biochemical and cellular mechanism of protein kinase CK2 inhibition by deceptive curcumin.
Febs J., 287, 2020
6QPL
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BU of 6qpl by Molmil
Crystal structure of Spindlin1 in complex with the inhibitor MS31
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Johansson, C, Krojer, T, Xiong, Y, Jin, J, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.C.T.
Deposit date:2019-02-14
Release date:2019-07-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery of a Potent and Selective Fragment-like Inhibitor of Methyllysine Reader Protein Spindlin 1 (SPIN1).
J.Med.Chem., 62, 2019
4O62
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BU of 4o62 by Molmil
CW-type zinc finger of ZCWPW2 in complex with the amino terminus of histone H3
Descriptor: Histone H3.3, UNKNOWN ATOM OR ION, ZINC ION, ...
Authors:Liu, Y, Tempel, W, Dong, A, Loppnau, P, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2013-12-20
Release date:2014-03-26
Last modified:2016-06-08
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Family-wide Characterization of Histone Binding Abilities of Human CW Domain-containing Proteins.
J.Biol.Chem., 291, 2016
4O00
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BU of 4o00 by Molmil
Crystal structure of the Titin A-band domain A3
Descriptor: Titin
Authors:Rees, M.J, Gautel, M.
Deposit date:2013-12-13
Release date:2014-12-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.853 Å)
Cite:Crystal structure of the Titin A-band domain A3
To be Published
4O06
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BU of 4o06 by Molmil
1.15A Resolution Structure of the Proteasome Assembly Chaperone Nas2 PDZ Domain
Descriptor: Probable 26S proteasome regulatory subunit p27, SULFATE ION, TETRAETHYLENE GLYCOL
Authors:Lovell, S, Mehzabeen, N, Battaile, K.P, Singh, C.R, Chowdhury, W.Q, Geanes, E, Roelofs, J.
Deposit date:2013-12-13
Release date:2014-04-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:1.15 angstrom resolution structure of the proteasome-assembly chaperone Nas2 PDZ domain.
Acta Crystallogr F Struct Biol Commun, 70, 2014
6HX7
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BU of 6hx7 by Molmil
Crystal structure of human R180T variant of ORNITHINE AMINOTRANSFERASE at 1.8 Angstrom
Descriptor: Ornithine aminotransferase, mitochondrial, PYRIDOXAL-5'-PHOSPHATE
Authors:Giardina, G, Montioli, R, Cellini, B, Cutruzzola, F, Borri Voltattorni, C.
Deposit date:2018-10-16
Release date:2019-06-05
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:R180T variant of delta-ornithine aminotransferase associated with gyrate atrophy: biochemical, computational, X-ray and NMR studies provide insight into its catalytic features.
Febs J., 286, 2019
6HY6
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BU of 6hy6 by Molmil
Ni(II)-substituted Wells-Dawson binding to Hen Egg-White Lysozyme (HEWL)
Descriptor: CHLORIDE ION, Lysozyme C, Ni(II)-substituted Wells-Dawson
Authors:Vandebroek, L, Van Meervelt, L, Parac-Vogt, T.N.
Deposit date:2018-10-19
Release date:2019-10-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Noncovalent Complexes Formed between Metal-Substituted Polyoxometalates and Hen Egg White Lysozyme
Eur J Inorg Chem, 2019
6D4K
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BU of 6d4k by Molmil
Crystal structure of L,D-transpeptidase 3 from Mycobacterium tuberculosis at 1.32 A resolution
Descriptor: CALCIUM ION, Probable L,D-transpeptidase 3
Authors:Libreros, G.A, Dias, M.V.B.
Deposit date:2018-04-18
Release date:2019-02-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:Structural Basis for the Interaction and Processing of beta-Lactam Antibiotics by l,d-Transpeptidase 3 (LdtMt3) from Mycobacterium tuberculosis.
ACS Infect Dis, 5, 2019
6OKC
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BU of 6okc by Molmil
Crosslinked Crystal Structure of Type II Fatty Acid Synthase Ketosynthase, FabB, and C12-crypto Acyl Carrier Protein, AcpP
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 1, Acyl carrier protein, N-[2-(dodecanoylamino)ethyl]-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide
Authors:Mindrebo, J.T, Kim, W.E, Bartholow, T.G, Chen, A, Davis, T.D, La Clair, J, Burkart, M.D, Noel, J.P.
Deposit date:2019-04-12
Release date:2020-04-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Gating mechanism of elongating beta-ketoacyl-ACP synthases.
Nat Commun, 11, 2020
6OKG
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BU of 6okg by Molmil
Crosslinked Crystal Structure of Type II Fatty Acid Synthase Ketosynthase, FabF, and C16-crypto Acyl Carrier Protein, AcpP
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, Acyl carrier protein, N-[2-(hexadecanoylamino)ethyl]-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide, ...
Authors:Mindrebo, J.T, Kim, W.E, Bartholow, T.G, Chen, A, Davis, T.D, La Clair, J, Burkart, M.D, Noel, J.P.
Deposit date:2019-04-12
Release date:2020-04-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Gating mechanism of elongating beta-ketoacyl-ACP synthases.
Nat Commun, 11, 2020
4O61
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BU of 4o61 by Molmil
Structure of human ALKBH5 crystallized in the presence of citrate
Descriptor: CITRIC ACID, GLYCEROL, RNA demethylase ALKBH5, ...
Authors:Tempel, W, Chao, X, Liu, K, Dong, A, Cerovina, T, He, H, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2013-12-20
Release date:2014-02-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structures of human ALKBH5 demethylase reveal a unique binding mode for specific single-stranded N6-methyladenosine RNA demethylation.
J.Biol.Chem., 289, 2014
4O42
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BU of 4o42 by Molmil
Tandem chromodomains of human CHD1 in complex with influenza NS1 C-terminal tail dimethylated at K229
Descriptor: Chromodomain-helicase-DNA-binding protein 1, GLYCEROL, Nonstructural protein 1, ...
Authors:Qin, S, Xu, C, Tempel, W, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2013-12-18
Release date:2014-04-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Structural basis for histone mimicry and hijacking of host proteins by influenza virus protein NS1.
Nat Commun, 5, 2014
6D51
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BU of 6d51 by Molmil
Crystal structure of L,D-transpeptidase 3 from Mycobacterium tuberculosis in complex with a faropenem-derived adduct
Descriptor: ACETYL GROUP, CALCIUM ION, Probable L,D-transpeptidase 3
Authors:Libreros, G.A, Dias, M.V.B.
Deposit date:2018-04-19
Release date:2019-02-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Structural Basis for the Interaction and Processing of beta-Lactam Antibiotics by l,d-Transpeptidase 3 (LdtMt3) from Mycobacterium tuberculosis.
ACS Infect Dis, 5, 2019
6DFL
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BU of 6dfl by Molmil
WaaP in complex with acyl carrier protein
Descriptor: Acyl carrier protein, Lipopolysaccharide core heptose(I) kinase RfaP, S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] hexadecanethioate
Authors:Chopra, R, Vash, B.
Deposit date:2018-05-15
Release date:2019-04-03
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (2.396 Å)
Cite:Acylated-acyl carrier protein stabilizes the Pseudomonas aeruginosa WaaP lipopolysaccharide heptose kinase.
Sci Rep, 8, 2018
6HS8
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BU of 6hs8 by Molmil
The crystal structure of type II Dehydroquinase from Butyrivibrio crossotus DSM 2876
Descriptor: 3-dehydroquinate dehydratase, GLYCEROL, L(+)-TARTARIC ACID, ...
Authors:Lapthorn, A.J, Roszak, A.W.
Deposit date:2018-09-29
Release date:2019-10-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The crystal structure of type II Dehydroquinase from Butyrivibrio crossotus DSM 2876
To Be Published
6HSE
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BU of 6hse by Molmil
Structure of dithionite-reduced RsrR in spacegroup P2(1)
Descriptor: FE2/S2 (INORGANIC) CLUSTER, GLYCEROL, Rrf2 family transcriptional regulator, ...
Authors:Volbeda, A, Fontecilla-Camps, J.C.
Deposit date:2018-10-01
Release date:2019-01-30
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of the Transcription Regulator RsrR Reveals a [2Fe-2S] Cluster Coordinated by Cys, Glu, and His Residues.
J. Am. Chem. Soc., 141, 2019
6OOW
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BU of 6oow by Molmil
The crystal structure of 4-ethylbenzoate bound to T252A mutant of CYP199A4
Descriptor: 4-ethylbenzoic acid, CHLORIDE ION, Cytochrome P450, ...
Authors:Coleman, T, Bruning, J.B, Bell, S.G.
Deposit date:2019-04-23
Release date:2020-04-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural investigation of the interplay between the substrate and the acid-alcohol pair of residues in cytochrome P450 enzymes
To Be Published
6D9D
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BU of 6d9d by Molmil
Crystal structure of Corynebacterium diphtheriae UDP-galactopyranose mutase in complex with UDP-GlcNAc (open, oxidized)
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, ISOPROPYL ALCOHOL, SODIUM ION, ...
Authors:Wangkanont, K, Kiessling, L.L, Forest, K.T.
Deposit date:2018-04-28
Release date:2019-05-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Substrate recognition by FAD in UDP-galactopyranose mutase
To be published
6OQI
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BU of 6oqi by Molmil
CDK2 in complex with Cpd14 (5-fluoro-4-(4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl)-N-(5-(4-methylpiperazin-1-yl)pyridin-2-yl)pyrimidin-2-amine)
Descriptor: 5-fluoro-N-[5-(4-methylpiperazin-1-yl)pyridin-2-yl]-4-[(4S)-4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine, Cyclin-dependent kinase 2
Authors:Murray, J.M.
Deposit date:2019-04-26
Release date:2020-07-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Design of a brain-penetrant CDK4/6 inhibitor for glioblastoma.
Bioorg.Med.Chem.Lett., 29, 2019
7R5I
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BU of 7r5i by Molmil
High resolution Crystal structure of ExsFA, a Bacillus cereus spore exosporium protein
Descriptor: CALCIUM ION, Exosporium protein, GLN-GLU-ASP-PHE-SER-SER-ASP-SER-SER-PHE-SER, ...
Authors:Brear, P, Schack, S, Christie, G.
Deposit date:2022-02-10
Release date:2023-08-23
Method:X-RAY DIFFRACTION (1.08 Å)
Cite:Crystal structure of ExsFA, a Bacillus cereus spore exosporium protein"
To Be Published
6R02
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BU of 6r02 by Molmil
Psychrobacter arcticus ATP phosphoribosyltransferase bound to histidine and PRPP
Descriptor: 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, ATP phosphoribosyltransferase, ATP phosphoribosyltransferase regulatory subunit, ...
Authors:Alphey, M.S, da Silva, R.G, Thomson, C.M.
Deposit date:2019-03-12
Release date:2019-08-07
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Mapping the Structural Path for Allosteric Inhibition of a Short-Form ATP Phosphoribosyltransferase by Histidine.
Biochemistry, 58, 2019
6O9B
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BU of 6o9b by Molmil
Crystal structure of HLA-A3*01 in complex with a wild-type beta-catenin peptide
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-2-microglobulin, ...
Authors:Miller, M.S, Gabelli, S.B.
Deposit date:2019-03-13
Release date:2019-11-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:An engineered antibody fragment targeting mutant beta-catenin via major histocompatibility complex I neoantigen presentation.
J.Biol.Chem., 294, 2019
4OHN
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BU of 4ohn by Molmil
Crystal structure of an ABC uptake transporter substrate binding protein from Streptococcus pneumoniae with Bound Histidine
Descriptor: ABC transporter substrate-binding protein, ACETATE ION, HISTIDINE
Authors:Brunzelle, J.S, Wawrzak, W, Yim, Y, Kudritska, M, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2014-01-17
Release date:2015-01-21
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Crystal structure of an ABC uptake transporter substrate binding protein from Streptococcus pneumoniae with Bound Histidine
To be Published
6OS5
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BU of 6os5 by Molmil
Crystal structure of CymD prenyltransferase complexed with L-tryptophan
Descriptor: BENZOIC ACID, CymD prenyltransferase, DIPHOSPHATE, ...
Authors:Roose, B.W, Christianson, D.W.
Deposit date:2019-05-01
Release date:2019-07-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Structural Basis of Tryptophan Reverse N-Prenylation Catalyzed by CymD.
Biochemistry, 58, 2019
4M9K
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BU of 4m9k by Molmil
NS2B-NS3 protease from dengue virus at pH 5.5
Descriptor: NS2B-NS3 protease
Authors:Yildiz, M, Hardy, J.A.
Deposit date:2013-08-14
Release date:2013-11-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Allosteric Inhibition of the NS2B-NS3 Protease from Dengue Virus.
Acs Chem.Biol., 8, 2013

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