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5D6Q
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BU of 5d6q by Molmil
Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a ligand
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1-ethyl-3-{4-[(E)-2-(pyridin-3-yl)ethenyl]-5-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl}urea, DNA gyrase subunit B, ...
Authors:Zhang, J, Yang, Q, Cross, J.B, Romero, J.A.C, Ryan, M.D, Lippa, B, Dolle, R.E, Andersen, O.A, Barker, J, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C.
Deposit date:2015-08-12
Release date:2015-11-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Discovery of Azaindole Ureas as a Novel Class of Bacterial Gyrase B Inhibitors.
J.Med.Chem., 58, 2015
5D7C
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BU of 5d7c by Molmil
Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a ligand
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1-ethyl-3-[1-(pyridin-2-yl)-6-(pyridin-3-yl)-1H-pyrrolo[3,2-b]pyridin-3-yl]urea, DNA gyrase subunit B, ...
Authors:Zhang, J, Yang, Q, Cross, J.B, Romero, J.A.C, Ryan, M.D, Lippa, B, Dolle, R.E, Andersen, O.A, Barker, J, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C.
Deposit date:2015-08-13
Release date:2015-11-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Discovery of Azaindole Ureas as a Novel Class of Bacterial Gyrase B Inhibitors.
J.Med.Chem., 58, 2015
5D7D
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BU of 5d7d by Molmil
Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a ligand
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 7-propyl-3-[2-(pyridin-3-yl)-1,3-thiazol-5-yl]-1,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one, CHLORIDE ION, ...
Authors:Zhang, J, Yang, Q, Cross, J.B, Romero, J.A.C, Ryan, M.D, Lippa, B, Dolle, R.E, Andersen, O.A, Barker, J, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C.
Deposit date:2015-08-13
Release date:2015-11-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery of Indazole Derivatives as a Novel Class of Bacterial Gyrase B Inhibitors.
Acs Med.Chem.Lett., 6, 2015
5D7R
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BU of 5d7r by Molmil
Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a ligand
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 3-hydroxy-5-[5-(6-hydroxy-7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylic acid, CHLORIDE ION, ...
Authors:Zhang, J, Yang, Q, Cross, J.B, Romero, J.A.C, Ryan, M.D, Lippa, B, Dolle, R.E, Andersen, O.A, Barker, J, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C.
Deposit date:2015-08-14
Release date:2015-11-18
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Discovery of Indazole Derivatives as a Novel Class of Bacterial Gyrase B Inhibitors.
Acs Med.Chem.Lett., 6, 2015
7M5D
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BU of 7m5d by Molmil
Cryo-EM structure of a non-rotated E.coli 70S ribosome in complex with RF3-GTP, RF1 and P-tRNA (state I)
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Zhang, J.
Deposit date:2021-03-23
Release date:2022-10-19
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Cryo-EM structure of a non-rotated E.coli 70S ribosome in complex with RF3-GTP, RF1 and P-tRNA (state I)
To Be Published
6VZO
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BU of 6vzo by Molmil
Crystal structure of human PPARgamma ligand binding domain (Protein delipidated by denature and refold)
Descriptor: Peroxisome proliferator-activated receptor gamma
Authors:Shang, J, Kojetin, D.J.
Deposit date:2020-02-28
Release date:2021-03-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Structural mechanism underlying ligand binding and activation of PPAR gamma.
Structure, 29, 2021
6VZM
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BU of 6vzm by Molmil
Crystal structure of human PPARgamma ligand binding domain Y473E mutant in complex with Darglitazone
Descriptor: (5Z)-5-({4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanoyl]phenyl}methylidene)-1,3-thiazolidine-2,4-dione, Peroxisome proliferator-activated receptor gamma
Authors:Shang, J, Kojetin, D.J.
Deposit date:2020-02-28
Release date:2021-03-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural mechanism underlying ligand binding and activation of PPAR gamma.
Structure, 29, 2021
6VZN
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BU of 6vzn by Molmil
Crystal structure of human PPARgamma ligand binding domain Y473E mutant
Descriptor: Peroxisome proliferator-activated receptor gamma
Authors:Shang, J, Kojetin, D.J.
Deposit date:2020-02-28
Release date:2021-03-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural mechanism underlying ligand binding and activation of PPAR gamma.
Structure, 29, 2021
6VZL
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BU of 6vzl by Molmil
Crystal structure of human PPARgamma ligand binding domain in complex with GW1929
Descriptor: (2~{S})-3-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]-2-[[2-(phenylcarbonyl)phenyl]amino]propanoic acid, Peroxisome proliferator-activated receptor gamma
Authors:Shang, J, Kojetin, D.J.
Deposit date:2020-02-28
Release date:2021-03-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Structural mechanism underlying ligand binding and activation of PPAR gamma.
Structure, 29, 2021
8B07
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BU of 8b07 by Molmil
Crystal structure of monkeypox virus methyltransferase VP39 in complex with sinefungin
Descriptor: Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase, SINEFUNGIN
Authors:Silhan, J, Klima, M, Boura, E.
Deposit date:2022-09-07
Release date:2023-04-05
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Discovery and structural characterization of monkeypox virus methyltransferase VP39 inhibitors reveal similarities to SARS-CoV-2 nsp14 methyltransferase.
Nat Commun, 14, 2023
2FLF
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BU of 2flf by Molmil
Crystal structure of l-fuculose-1-phosphate aldolase from Thermus Thermophilus HB8
Descriptor: fuculose-1-phosphate aldolase
Authors:Jeyakanthan, J, Yokoyama, S, Shiro, Y, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2006-01-06
Release date:2007-01-09
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Purification, crystallization and preliminary X-ray crystallographic study of the L-fuculose-1-phosphate aldolase (FucA) from Thermus thermophilus HB8
Acta Crystallogr.,Sect.F, 61, 2005
2QQ4
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BU of 2qq4 by Molmil
Crystal structure of Iron-sulfur cluster biosynthesis protein IscU (TTHA1736) from thermus thermophilus HB8
Descriptor: Iron-sulfur cluster biosynthesis protein IscU, ZINC ION
Authors:Jeyakanthan, J, Kanaujia, S.P, Sekar, K, Agari, Y, Ebihara, A, Shinkai, A, Kuramitsu, S, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2007-07-26
Release date:2008-07-29
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structure of Iron-sulfur cluster biosynthesis protein IscU (TTHA1736) from thermus thermophilus HB8
To be Published
2QQ1
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BU of 2qq1 by Molmil
Crystal Structure Of Molybdenum Cofactor Biosynthesis (aq_061) Other Form From Aquifex Aeolicus Vf5
Descriptor: Molybdenum cofactor biosynthesis MOG
Authors:Jeyakanthan, J, Mahesh, S, Kanaujia, S.P, Ramakumar, S, Sekar, K, Agari, Y, Ebihara, A, Kuramitsu, S, Shinkai, A, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2007-07-26
Release date:2008-07-29
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure Of Molybdenum Cofactor Biosynthesis (aq_061) Other Form From Aquifex Aeolicus Vf5
To be Published
2QYH
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BU of 2qyh by Molmil
Crystal structure of the hypothetical protein (gk1056) from geobacillus kaustophilus HTA426
Descriptor: GLYCEROL, Hypothetical conserved protein, GK1056
Authors:Jeyakanthan, J, Kanaujia, S.P, Sekar, K, Ebihara, A, Shinkai, A, Kuramitsu, S, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2007-08-15
Release date:2008-08-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of the hypothetical protein (gk1056) from geobacillus kaustophilus HTA426
To be Published
2FMH
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BU of 2fmh by Molmil
Crystal structure of Mg2+ and BeF3- bound CheY in complex with CheZ 200-214 solved from a F432 crystal grown in Tris (pH 8.4)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BERYLLIUM TRIFLUORIDE ION, C-terminal 15-mer from Chemotaxis protein cheZ, ...
Authors:Guhaniyogi, J, Robinson, V.L, Stock, A.M.
Deposit date:2006-01-09
Release date:2006-05-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:Crystal Structures of Beryllium Fluoride-free and Beryllium Fluoride-bound CheY in Complex with the Conserved C-terminal Peptide of CheZ Reveal Dual Binding Modes Specific to CheY Conformation.
J.Mol.Biol., 359, 2006
1LVM
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BU of 1lvm by Molmil
CATALYTICALLY ACTIVE TOBACCO ETCH VIRUS PROTEASE COMPLEXED WITH PRODUCT
Descriptor: CATALYTIC DOMAIN OF THE NUCLEAR INCLUSION PROTEIN A (NIA), OLIGOPEPTIDE SUBSTRATE FOR THE PROTEASE
Authors:Phan, J, Zdanov, A, Evdokimov, A.G, Tropea, J.E, Peters III, H.K, Kapust, R.B, Li, M, Wlodawer, A, Waugh, D.S.
Deposit date:2002-05-28
Release date:2002-11-27
Last modified:2021-10-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis for the substrate specificity of tobacco etch virus protease.
J.Biol.Chem., 277, 2002
2FKA
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BU of 2fka by Molmil
Crystal structure of Mg(2+) and BeF(3)(-)-bound CheY in complex with CheZ(200-214) solved from a F432 crystal grown in CAPS (pH 10.5)
Descriptor: 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, BERYLLIUM TRIFLUORIDE ION, C-terminal 15-mer from Chemotaxis protein cheZ, ...
Authors:Guhaniyogi, J, Robinson, V.L, Stock, A.M.
Deposit date:2006-01-04
Release date:2006-05-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structures of Beryllium Fluoride-free and Beryllium Fluoride-bound CheY in Complex with the Conserved C-terminal Peptide of CheZ Reveal Dual Binding Modes Specific to CheY Conformation.
J.Mol.Biol., 359, 2006
1LVB
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BU of 1lvb by Molmil
CATALYTICALLY INACTIVE TOBACCO ETCH VIRUS PROTEASE COMPLEXED WITH SUBSTRATE
Descriptor: CATALYTIC DOMAIN OF THE NUCLEAR INCLUSION PROTEIN A (NIA), GLYCEROL, OLIGOPEPTIDE SUBSTRATE FOR THE PROTEASE
Authors:Phan, J, Zdanov, A, Evdokimov, A.G, Tropea, J.E, Peters III, H.K, Kapust, R.B, Li, M, Wlodawer, A, Waugh, D.S.
Deposit date:2002-05-28
Release date:2002-11-27
Last modified:2021-10-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis for the substrate specificity of tobacco etch virus protease.
J.Biol.Chem., 277, 2002
2FLW
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BU of 2flw by Molmil
Crystal structure of Mg2+ and BeF3- ound CheY in complex with CheZ 200-214 solved from a F432 crystal grown in Hepes (pH 7.5)
Descriptor: BERYLLIUM TRIFLUORIDE ION, C-terminal 15-mer from Chemotaxis protein cheZ, Chemotaxis protein cheY, ...
Authors:Guhaniyogi, J, Robinson, V.L, Stock, A.M.
Deposit date:2006-01-06
Release date:2006-05-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structures of Beryllium Fluoride-free and Beryllium Fluoride-bound CheY in Complex with the Conserved C-terminal Peptide of CheZ Reveal Dual Binding Modes Specific to CheY Conformation.
J.Mol.Biol., 359, 2006
2FMI
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BU of 2fmi by Molmil
Crystal structure of CheY in complex with CheZ 200-214 solved from a F432 crystal grown in Tris (pH 8.4)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, C-terminal 15-mer from Chemotaxis protein cheZ, Chemotaxis protein cheY, ...
Authors:Guhaniyogi, J, Robinson, V.L, Stock, A.M.
Deposit date:2006-01-09
Release date:2006-05-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.302 Å)
Cite:Crystal Structures of Beryllium Fluoride-free and Beryllium Fluoride-bound CheY in Complex with the Conserved C-terminal Peptide of CheZ Reveal Dual Binding Modes Specific to CheY Conformation.
J.Mol.Biol., 359, 2006
8K1I
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BU of 8k1i by Molmil
Crystal structure of arabinose dehydrogenase from Candida auris
Descriptor: NADP-dependent oxidoreductase domain-containing protein
Authors:Zhang, J, Bai, X, He, S.R, Zhao, Z.D.
Deposit date:2023-07-11
Release date:2023-08-30
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure of arabinose dehydrogenase from Candida auris
To Be Published
6DH9
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BU of 6dh9 by Molmil
Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with MSDC-0602
Descriptor: (5S)-5-({4-[2-(3-methoxyphenyl)-2-oxoethoxy]phenyl}methyl)-1,3-thiazolidine-2,4-dione, Peroxisome proliferator-activated receptor gamma, nonanoic acid
Authors:Shang, J, Kojetin, D.J.
Deposit date:2018-05-18
Release date:2019-05-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with MSDC-0602
To Be Published
6DGO
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BU of 6dgo by Molmil
Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with Troglitazone
Descriptor: (5S)-5-[(4-{[(2R)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-1-benzopyran-2-yl]methoxy}phenyl)methyl]-1,3-thiazolidine-2,4-dione, Peroxisome proliferator-activated receptor gamma
Authors:Shang, J, Kojetin, D.J.
Deposit date:2018-05-17
Release date:2019-05-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Quantitative structural assessment of graded receptor agonism.
Proc.Natl.Acad.Sci.USA, 116, 2019
8OIX
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BU of 8oix by Molmil
CryoEM structure of 20S Trichomonas vaginalis proteasome in complex with proteasome inhibitor Salinosporamid A
Descriptor: (3AR,6R,6AS)-6-((S)-((S)-CYCLOHEX-2-ENYL)(HYDROXY)METHYL)-6A-METHYL-4-OXO-HEXAHYDRO-2H-FURO[3,2-C]PYRROLE-6-CARBALDEHYDE, Family T1, proteasome alpha subunit, ...
Authors:Silhan, J, Fajtova, P, Boura, E.
Deposit date:2023-03-23
Release date:2024-04-10
Last modified:2024-04-17
Method:ELECTRON MICROSCOPY (2.89 Å)
Cite:Tv20S proteasome in the complex with marizomib
To Be Published
4PY0
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BU of 4py0 by Molmil
Crystal structure of P2Y12 receptor in complex with 2MeSATP
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-(methylsulfanyl)adenosine 5'-(tetrahydrogen triphosphate), P2Y purinoceptor 12, ...
Authors:Zhang, J, Zhang, K, Gao, Z.G, Paoletta, S, Zhang, D, Han, G.W, Li, T, Ma, L, Zhang, W, Muller, C.E, Yang, H, Jiang, H, Cherezov, V, Katritch, V, Jacobson, K.A, Stevens, R.C, Wu, B, Zhao, Q, GPCR Network (GPCR)
Deposit date:2014-03-25
Release date:2014-04-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Agonist-bound structure of the human P2Y12 receptor
Nature, 509, 2014

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