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4WYI
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BU of 4wyi by Molmil
The crystal structure of Arabidopsis thaliana galactolipid synthase, MGD1 (apo-form)
Descriptor: Monogalactosyldiacylglycerol synthase 1, chloroplastic
Authors:Rocha, J, Breton, C.
Deposit date:2014-11-17
Release date:2016-02-17
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural insights and membrane binding properties of MGD1, the major galactolipid synthase in plants.
Plant J., 85, 2016
4XE3
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BU of 4xe3 by Molmil
OleP, the cytochrome P450 epoxidase from Streptomyces antibioticus involved in Oleandomycin biosynthesis: functional analysis and crystallographic structure in complex with clotrimazole.
Descriptor: 1-[(2-CHLOROPHENYL)(DIPHENYL)METHYL]-1H-IMIDAZOLE, Cytochrome P-450, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Montemiglio, L.C, Parisi, G, Scaglione, A, Savino, C, Vallone, B.
Deposit date:2014-12-22
Release date:2015-11-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Functional analysis and crystallographic structure of clotrimazole bound OleP, a cytochrome P450 epoxidase from Streptomyces antibioticus involved in oleandomycin biosynthesis.
Biochim.Biophys.Acta, 1860, 2015
445D
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BU of 445d by Molmil
5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3', Benzimidazole derivative complex
Descriptor: 2'-(3-IODOPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3')
Authors:Squire, C.J, Baker, L.J, Clark, G.R, Martin, R.F, White, J.
Deposit date:1999-01-14
Release date:2000-02-02
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structures of m-iodo Hoechst-DNA complexes in crystals with reduced solvent content: implications for minor groove binder drug design.
Nucleic Acids Res., 28, 2000
8PNH
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BU of 8pnh by Molmil
Chorismate mutase
Descriptor: 3-PHENYLPYRUVIC ACID, 8-HYDROXY-2-OXA-BICYCLO[3.3.1]NON-6-ENE-3,5-DICARBOXYLIC ACID, Bifunctional cyclohexadienyl dehydratase/chorismate mutase from Janthinobacterium sp. HH01, ...
Authors:Khatanbaatar, T, Cordara, G, Krengel, U.
Deposit date:2023-06-30
Release date:2024-07-10
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Chorismate mutase
To Be Published
443D
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BU of 443d by Molmil
5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'/ BENZIMIDAZOLE DERIVATIVE COMPLEX
Descriptor: 2'-(3-IODOPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION
Authors:Squire, C.J, Baker, L.J, Clark, G.R, Martin, R.F, White, J.
Deposit date:1999-01-14
Release date:2000-02-02
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structures of m-iodo Hoechst-DNA complexes in crystals with reduced solvent content: implications for minor groove binder drug design.
Nucleic Acids Res., 28, 2000
4XGN
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BU of 4xgn by Molmil
Crystal structure of 3-hydroxyacyl-CoA dehydrogenase in complex with NAD from Burkholderia thailandensis
Descriptor: 1,2-ETHANEDIOL, 3-hydroxyacyl-CoA dehydrogenase, GLYCEROL, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2014-12-31
Release date:2015-01-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure of 3-hydroxyacyl-CoA dehydrogenase in complex with NAD from Burkholderia thailandensis
to be published
7UNI
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BU of 7uni by Molmil
De novo designed chlorophyll dimer protein with Zn pheophorbide a methyl ester, SP2-ZnPPaM
Descriptor: 1,2-ETHANEDIOL, PHOSPHATE ION, SP2-ZnPPaM designed chlorophyll dimer protein, ...
Authors:Kennedy, M.A, Stoddard, B.L, Ennist, N.M.
Deposit date:2022-04-11
Release date:2023-04-19
Last modified:2024-06-12
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:De novo design of proteins housing excitonically coupled chlorophyll special pairs.
Nat.Chem.Biol., 2024
4XFJ
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BU of 4xfj by Molmil
Crystal structure of Argininosuccinate synthase from Mycobacterium thermoresistibile in complex with AMPPNP and Arginine
Descriptor: 1,2-ETHANEDIOL, ARGININE, Argininosuccinate synthase, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2014-12-27
Release date:2015-01-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystal structure of Argininosuccinate synthase from Mycobacterium thermoresistibile in complex with AMPPNP and Arginine
To Be Published
4XE9
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BU of 4xe9 by Molmil
Crystal structure of the NanB sialidase from Streptococcus pneumoniae in complex with Optactin
Descriptor: (1s,3R,4S)-1-[(cyclohexylamino)methyl]-3,4-dihydroxycyclopentanesulfonic acid, DIMETHYL SULFOXIDE, Sialidase B
Authors:Brear, P.
Deposit date:2014-12-23
Release date:2016-01-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:The Hunt for Serendipitous Allosteric Sites: Discovery of a novel allosteric inhibitor of the bacterial sialidase NanB
To be published
4XB3
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BU of 4xb3 by Molmil
Structure of dextran glucosidase
Descriptor: CALCIUM ION, Glucan 1,6-alpha-glucosidase, HEXAETHYLENE GLYCOL
Authors:Kobayashi, M, Kato, K, Yao, M.
Deposit date:2014-12-16
Release date:2015-08-26
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.093 Å)
Cite:Structural insights into the catalytic reaction that is involved in the reorientation of Trp238 at the substrate-binding site in GH13 dextran glucosidase
Febs Lett., 589, 2015
6XYV
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BU of 6xyv by Molmil
NMR solution structure of the Iron-Sulfur protein PioC from Rhodopseudomonas palustris TIE-1
Descriptor: IRON/SULFUR CLUSTER, PioC
Authors:Cantini, F, Trindade, I.
Deposit date:2020-01-31
Release date:2020-11-11
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:PRE-driven protein NMR structures: an alternative approach in highly paramagnetic systems.
Febs J., 288, 2021
7O33
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BU of 7o33 by Molmil
Crystal structure of the anti-PAS Fab 3.1 in complex with its epitope peptide
Descriptor: APSA epitope peptide, anti-PAS Fab 3.1 chimeric heavy chain, anti-PAS Fab 3.1 chimeric light chain
Authors:Schilz, J, Skerra, A.
Deposit date:2021-04-01
Release date:2021-07-07
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Molecular recognition of structurally disordered Pro/Ala-rich sequences (PAS) by antibodies involves an Ala residue at the hot spot of the epitope.
J.Mol.Biol., 433, 2021
4XAX
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BU of 4xax by Molmil
Crystal structure of Thermus thermophilus CarD in complex with the Thermus aquaticus RNA polymerase beta1 domain
Descriptor: 1,2-ETHANEDIOL, CarD, DNA-directed RNA polymerase subunit beta domain 1
Authors:Chen, J, Bae, B, Campbell, E.A, Darst, S.A.
Deposit date:2014-12-15
Release date:2015-09-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.404 Å)
Cite:CarD uses a minor groove wedge mechanism to stabilize the RNA polymerase open promoter complex.
Elife, 4, 2015
7OE4
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BU of 7oe4 by Molmil
C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH N-methyl-4-propionyl-1H-pyrrole-2-carboxamide
Descriptor: 1,2-ETHANEDIOL, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Bromodomain-containing protein 2, ...
Authors:Chung, C.
Deposit date:2021-05-01
Release date:2021-07-28
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.653 Å)
Cite:Fragment-based Scaffold Hopping: Identification of Potent, Selective, and Highly Soluble Bromo and Extra Terminal Domain (BET) Second Bromodomain (BD2) Inhibitors.
J.Med.Chem., 64, 2021
4XJ3
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BU of 4xj3 by Molmil
Crystal structure of Vibrio cholerae DncV GTP bound form
Descriptor: 1,2-ETHANEDIOL, Cyclic AMP-GMP synthase, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Kato, K, Ishii, R, Ishitani, R, Nureki, O.
Deposit date:2015-01-08
Release date:2015-04-29
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural Basis for the Catalytic Mechanism of DncV, Bacterial Homolog of Cyclic GMP-AMP Synthase
Structure, 23, 2015
4XHB
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BU of 4xhb by Molmil
Crystal structure of the NanB sialidase from streptococcus pneumoniae in complex with pentanediol and CHES
Descriptor: (1R,2S)-cyclopentane-1,2-diol, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Sialidase B
Authors:Brear, P.
Deposit date:2015-01-05
Release date:2016-01-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:The Hunt for Serendipitous Allosteric Sites: Discovery of a novel allosteric inhibitor of the bacterial sialidase NanB
To be published
4XJW
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BU of 4xjw by Molmil
Crystal structure of the NanB sialidase from streptococcus pneumoniae in complex with Optactin at pH 7.4 in PBS with DMSO as the cryoprotectant
Descriptor: (1s,3R,4S)-1-[(cyclohexylamino)methyl]-3,4-dihydroxycyclopentanesulfonic acid, DIMETHYL SULFOXIDE, PHOSPHATE ION, ...
Authors:Brear, P.
Deposit date:2015-01-09
Release date:2016-01-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:`The Hunt for Serendipitous Allosteric Sites: Discovery of a novel allosteric inhibitor of the bacterial sialidase NanB
To be published
406D
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BU of 406d by Molmil
5'-R(*CP*AP*CP*CP*GP*GP*AP*UP*GP*GP*UP*(BRO) UP*CP*GP*GP*UP*G)-3'
Descriptor: RNA (5'-R(*CP*AP*CP*CP*GP*GP*AP*UP*GP*GP*UP*(5BU)P*CP*GP*GP*UP*G)-3')
Authors:Shah, S.A, Brunger, A.T.
Deposit date:1998-06-22
Release date:1999-02-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The 1.8 A crystal structure of a statically disordered 17 base-pair RNA duplex: principles of RNA crystal packing and its effect on nucleic acid structure.
J.Mol.Biol., 285, 1999
449D
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BU of 449d by Molmil
5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3', BENZIMIDAZOLE DERIVATIVE COMPLEX
Descriptor: 2'-(3-IODOPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3')
Authors:Squire, C.J, Baker, L.J, Clark, G.R, Martin, R.F, White, J.
Deposit date:1999-01-20
Release date:2000-02-02
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structures of m-iodo Hoechst-DNA complexes in crystals with reduced solvent content: implications for minor groove binder drug design.
Nucleic Acids Res., 28, 2000
4XJ9
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BU of 4xj9 by Molmil
Crystal structure of the NanB sialidase from streptococcus pneumoniae in complex with Optactin at pH 5.0 in 50mM Sodium Acetate with DMSO as the cryoprotectant
Descriptor: (1s,3R,4S)-1-[(cyclohexylamino)methyl]-3,4-dihydroxycyclopentanesulfonic acid, DIMETHYL SULFOXIDE, Sialidase B
Authors:Brear, P.
Deposit date:2015-01-08
Release date:2016-01-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:`The Hunt for Serendipitous Allosteric Sites: Discovery of a novel allosteric inhibitor of the bacterial sialidase NanB
To be published
4XOG
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BU of 4xog by Molmil
CRYSTAL STRUCTURE OF THE NANB SIALIDASE FROM STREPTOCOCCUS PNEUMONIAE IN COMPLEX WITH Optactin and DANA
Descriptor: (1s,3R,4S)-1-[(cyclohexylamino)methyl]-3,4-dihydroxycyclopentanesulfonic acid, 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, DIMETHYL SULFOXIDE, ...
Authors:Brear, P.
Deposit date:2015-01-16
Release date:2016-02-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:The Hunt for Serendipitous Allosteric Sites: Discovery of a novel allosteric inhibitor of the bacterial sialidase NanB
To be published
7NZI
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BU of 7nzi by Molmil
TrmB complex with SAH
Descriptor: GLYCEROL, S-ADENOSYL-L-HOMOCYSTEINE, tRNA (guanine-N(7)-)-methyltransferase
Authors:Blersch, K.F, Ficner, R, Neumann, P.
Deposit date:2021-03-24
Release date:2021-09-15
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural model of the M7G46 Methyltransferase TrmB in complex with tRNA.
Rna Biol., 18, 2021
4XGI
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BU of 4xgi by Molmil
Crystal structure of Glutamate dehydrogenase from Burkholderia thailandensis
Descriptor: 1,2-ETHANEDIOL, 2-OXOGLUTARIC ACID, Glutamate dehydrogenase, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2014-12-30
Release date:2015-01-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of Glutamate dehydrogenase from Burkholderia thailandensis
to be published
4XJ1
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BU of 4xj1 by Molmil
Crystal structure of Vibrio cholerae DncV apo form
Descriptor: 1,2-ETHANEDIOL, Cyclic AMP-GMP synthase
Authors:Kato, K, Ishii, R, Ishitani, R, Nureki, O.
Deposit date:2015-01-08
Release date:2015-04-29
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Structural Basis for the Catalytic Mechanism of DncV, Bacterial Homolog of Cyclic GMP-AMP Synthase
Structure, 23, 2015
4XJM
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BU of 4xjm by Molmil
Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with a HTS lead compound
Descriptor: 3-{1-[(5-acetylthiophen-2-yl)carbonyl]piperidin-4-yl}-N-(3-methoxyphenyl)propanamide, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, PYRIDOXAL-5'-PHOSPHATE
Authors:Finzel, B.C, Dai, R.
Deposit date:2015-01-08
Release date:2016-01-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Fragment based inhibitor design of Mycobacterium tuberculosis BioA (http://hdl.handle.net/11299/171084)
Thesis, University of Minnesota, 2015

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