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7KFQ
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BU of 7kfq by Molmil
Crystal structure of the MarR family transcriptional regulator from Variovorax paradoxus bound to 1H-Indole-3-Carboxylic Acid
Descriptor: 1H-INDOLE-3-CARBOXYLIC ACID, SULFATE ION, Transcriptional regulator, ...
Authors:Walton, W.G, Redinbo, M.R, Dangl, J.L.
Deposit date:2020-10-14
Release date:2021-11-10
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Diverse MarR bacterial regulators of auxin catabolism in the plant microbiome.
Nat Microbiol, 7, 2022
7QAQ
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BU of 7qaq by Molmil
Crystal structure of a cyclodipeptide synthase from Parcubacteria bacterium RAAC4_OD1_1, E174A mutant
Descriptor: Cyclodipeptide synthase
Authors:Sutherland, E, Harding, C.J, Czekster, C.M.
Deposit date:2021-11-17
Release date:2022-09-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Active site remodelling of a cyclodipeptide synthase redefines substrate scope.
Commun Chem, 5, 2022
7QB8
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BU of 7qb8 by Molmil
Crystal structure of a cyclodipeptide synthase from Parcubacteria bacterium RAAC4_OD1_1, WT form
Descriptor: Cyclodipeptide synthase
Authors:Sutherland, E, Harding, C.J, Czekster, C.M.
Deposit date:2021-11-18
Release date:2022-09-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Active site remodelling of a cyclodipeptide synthase redefines substrate scope.
Commun Chem, 5, 2022
4F9V
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BU of 4f9v by Molmil
Structure of C113A/C136A mutant variant of glycosylated glutaminyl cyclase from Drosophila melanogaster
Descriptor: 1-(3,4-dimethoxyphenyl)-3-[3-(1H-imidazol-1-yl)propyl]thiourea, CG32412, DI(HYDROXYETHYL)ETHER, ...
Authors:Kolenko, P, Koch, B, Ruiz-Carilo, D, Stubbs, M.T.
Deposit date:2012-05-21
Release date:2012-08-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structures of Glutaminyl Cyclases (QCs) from Drosophila melanogaster Reveal Active Site Conservation between Insect and Mammalian QCs.
Biochemistry, 51, 2012
8VAM
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BU of 8vam by Molmil
Structure of the E. coli clamp loader bound to the beta clamp in a Semi-Open conformation
Descriptor: ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, Beta sliding clamp, ...
Authors:Landeck, J.T, Kelch, B.A.
Deposit date:2023-12-11
Release date:2024-03-27
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Differences between bacteria and eukaryotes in clamp loader mechanism, a conserved process underlying DNA replication.
J.Biol.Chem., 300, 2024
3DCQ
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BU of 3dcq by Molmil
LECB (PA-LII) in complex with the synthetic ligand 2G0
Descriptor: (2S)-1-[(2S)-6-amino-2-({[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl]acetyl}amino)hexanoyl]-N-[(1S)-1-carbamoyl-3-methylbutyl]pyrrolidine-2-carboxamide, CALCIUM ION, Fucose-binding lectin PA-IIL
Authors:Johansson, E.M, Crusz, S.A, Kolomiets, E, Buts, L, Kadam, R.U, Cacciarini, M, Bartels, K.M, Diggle, S.P, Camara, M, Williams, P, Loris, R, Nativi, C, Rosenau, F, Jaeger, K.E, Darbre, T, Reymond, J.L.
Deposit date:2008-06-04
Release date:2009-01-13
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Inhibition and dispersion of Pseudomonas aeruginosa biofilms by glycopeptide dendrimers targeting the fucose-specific lectin LecB.
Chem.Biol., 15, 2008
2Y95
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BU of 2y95 by Molmil
Solution structure of AUCG tetraloop hairpin found in human Xist RNA A-repeats essential for X-inactivation
Descriptor: 5'-R(*GP*GP*CP*GP*CP*AP*UP*CP*GP*GP*CP*GP*CP*C)-3'
Authors:Duszczyk, M.M, Sattler, M.
Deposit date:2011-02-11
Release date:2011-10-26
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:The Xist RNA A-Repeat Comprises a Novel Aucg Tetraloop Fold and a Platform for Multimerization.
RNA, 17, 2011
5FZB
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BU of 5fzb by Molmil
Crystal structure of the catalytic domain of human JARID1B in complex with Maybridge fragment 4-Pyridylthiourea (N06275b) (ligand modelled based on PANDDA event map, SGC - Diamond I04-1 fragment screening)
Descriptor: 1,2-ETHANEDIOL, 1-pyridin-4-ylthiourea, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Nowak, R, Krojer, T, Johansson, C, Kupinska, K, Szykowska, A, Pearce, N, Talon, R, Collins, P, Gileadi, C, Strain-Damerell, C, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, von Delft, F, Brennan, P.E, Oppermann, U.
Deposit date:2016-03-12
Release date:2016-03-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with Maybridge Fragment 4-Pyridylthiourea (N06275B) (Ligand Modelled Based on Pandda Event Map, Sgc -Diamond I04-1 Fragment Screening)
To be Published
2Y9T
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BU of 2y9t by Molmil
Structural basis of p63a SAM domain mutants involved in AEC syndrome
Descriptor: TUMOR PROTEIN 63
Authors:Sathyamurthy, A, Freund, S.M.V, Johnson, C.M, Allen, M.D.
Deposit date:2011-02-16
Release date:2011-08-03
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Structural Basis of P63Alpha Sam Domain Mutants Involved in Aec Syndrome.
FEBS J., 278, 2011
5CNT
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BU of 5cnt by Molmil
Crystal structure of the dATP inhibited E. coli class Ia ribonucleotide reductase complex bound to UDP and dATP at 3.25 Angstroms resolution
Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, MAGNESIUM ION, MU-OXO-DIIRON, ...
Authors:Chen, P.Y.-T, Zimanyi, C.M, Funk, M.A, Drennan, C.L.
Deposit date:2015-07-18
Release date:2016-01-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Molecular basis for allosteric specificity regulation in class Ia ribonucleotide reductase from Escherichia coli.
Elife, 5, 2016
2EDI
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BU of 2edi by Molmil
Solution structure of the UQ_con domain from human NEDD8-conjugating enzyme NCE2
Descriptor: NEDD8-conjugating enzyme UBE2F
Authors:Endo, H, Izumi, K, Yoshida, M, Hayashi, F, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2007-02-14
Release date:2007-08-14
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of the UQ_con domain from human NEDD8-conjugating enzyme NCE2
To be Published
8V6L
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BU of 8v6l by Molmil
Open-state cryo-EM structure of human TRPV3 in presence of tetrahydrocannabivarin (THCV) in cNW30 nanodiscs
Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, SODIUM ION, Tetrahydrocannabivarin, ...
Authors:Nadezhdin, K.D, Neuberger, A, Sobolevsky, A.I.
Deposit date:2023-12-01
Release date:2024-04-17
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (3.68 Å)
Cite:TRPV3 activation by different agonists accompanied by lipid dissociation from the vanilloid site.
Sci Adv, 10, 2024
4N6B
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BU of 4n6b by Molmil
Soybean Serine Acetyltransferase Complexed with CoA
Descriptor: COENZYME A, Serine Acetyltransferase Apoenzyme
Authors:Yi, H, Dey, S, Kumaran, S, Krishnan, H.B, Jez, J.M.
Deposit date:2013-10-11
Release date:2013-11-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.005 Å)
Cite:Structure of soybean serine acetyltransferase and formation of the cysteine regulatory complex as a molecular chaperone.
J.Biol.Chem., 288, 2013
4FB0
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BU of 4fb0 by Molmil
Structure of Oceanobacillus iheyensis group II intron C377G mutant in a ligand-free state in the presence of K+ and Mg2+
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Group IIC intron, MAGNESIUM ION, ...
Authors:Marcia, M, Pyle, A.M.
Deposit date:2012-05-22
Release date:2012-11-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.22 Å)
Cite:Visualizing Group II Intron Catalysis through the Stages of Splicing.
Cell(Cambridge,Mass.), 151, 2012
8V6M
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BU of 8v6m by Molmil
Inactivated-state cryo-EM structure of human TRPV3 in presence of tetrahydrocannabivarin (THCV) in cNW30 nanodiscs
Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, SODIUM ION, Tetrahydrocannabivarin, ...
Authors:Nadezhdin, K.D, Neuberger, A, Sobolevsky, A.I.
Deposit date:2023-12-01
Release date:2024-04-17
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (3.63 Å)
Cite:TRPV3 activation by different agonists accompanied by lipid dissociation from the vanilloid site.
Sci Adv, 10, 2024
2YDG
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BU of 2ydg by Molmil
Ascorbate co-crystallized HEWL.
Descriptor: ASCORBIC ACID, Lysozyme C, SODIUM ION
Authors:De la Mora, E, Carmichael, I, Garman, E.F.
Deposit date:2011-03-19
Release date:2011-07-20
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Effective Scavenging at Cryotemperatures: Further Increasing the Dose Tolerance of Protein Crystals.
J.Synchrotron.Radiat., 18, 2011
2YOE
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BU of 2yoe by Molmil
X-ray structure of a pentameric ligand gated ion channel from Erwinia chrysanthemi (ELIC) in complex with GABA and flurazepam
Descriptor: CYS-LOOP LIGAND-GATED ION CHANNEL, Flurazepam, GAMMA-AMINO-BUTANOIC ACID
Authors:Spurny, R, Brams, M, Nury, H, Legrand, P, Ulens, C.
Deposit date:2012-10-23
Release date:2012-10-31
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.9 Å)
Cite:Pentameric Ligand-Gated Ion Channel Elic is Activated by Gaba and Modulated by Benzodiazepines.
Proc.Natl.Acad.Sci.USA, 109, 2012
5FK2
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BU of 5fk2 by Molmil
SAM-I riboswitch bearing the H. marismortui Kt-7 variant 3bn is GG
Descriptor: BARIUM ION, S-ADENOSYLMETHIONINE, SAM-I RIBOSWITCH
Authors:Huang, L, Lilley, D.M.J.
Deposit date:2015-10-14
Release date:2016-05-25
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A Critical Base Pair in K-Turns Determines the Conformational Class Adopted, and Correlates with Biological Function.
Nucleic Acids Res., 44, 2016
7QNK
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BU of 7qnk by Molmil
Structure of beta-lactamase TEM-171 complexed with tazobactam intermediate at 2.5 A resolution
Descriptor: ACETATE ION, Beta-lactamase TEM, TAZOBACTAM INTERMEDIATE
Authors:Hakanpaa, J, Petrova, T, Samygina, V.R, Lamzin, V.S, Egorov, A.M.
Deposit date:2021-12-21
Release date:2022-07-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structures of the molecular class A beta-lactamase TEM-171 and its complexes with tazobactam.
Acta Crystallogr D Struct Biol, 78, 2022
2EEP
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BU of 2eep by Molmil
Prolyl Tripeptidyl Aminopeptidase Complexed with an Inhibitor
Descriptor: Dipeptidyl aminopeptidase IV, putative, SULFATE ION, ...
Authors:Xu, Y, Nakajima, Y, Ito, K, Yoshimoto, T.
Deposit date:2007-02-16
Release date:2008-02-19
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Novel inhibitor for prolyl tripeptidyl aminopeptidase from Porphyromonas gingivalis and details of substrate-recognition mechanism
J.Mol.Biol., 375, 2008
3DEE
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BU of 3dee by Molmil
CRYSTAL STRUCTURE OF A PUTATIVE REGULATORY PROTEIN INVOLVED IN TRANSCRIPTION (NGO1945) FROM NEISSERIA GONORRHOEAE FA 1090 AT 2.25 A RESOLUTION
Descriptor: CHLORIDE ION, IMIDAZOLE, Putative regulatory protein
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2008-06-09
Release date:2008-08-05
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The structure of the first representative of Pfam family PF09836 reveals a two-domain organization and suggests involvement in transcriptional regulation.
Acta Crystallogr.,Sect.F, 66, 2010
8V9I
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BU of 8v9i by Molmil
1-deoxy-D-xylulose 5-phosphate synthase (DXPS) from Deinococcus radiodurans with D-phenylalanine-derived triazole acetylphosphonate (D-PheTrAP) bound
Descriptor: 1-deoxy-D-xylulose-5-phosphate synthase, 2-HYDROXY BUTANE-1,4-DIOL, 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-{(1S)-1-[(S)-(2-{1-[(1R)-1-carboxy-2-phenylethyl]-1H-1,2,3-triazol-4-yl}ethoxy)(hydroxy)phosphoryl]-1-hydroxyethyl}-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium, ...
Authors:Chen, P.Y.-T, Drennan, C.L.
Deposit date:2023-12-08
Release date:2024-04-24
Method:X-RAY DIFFRACTION (1.981 Å)
Cite:Potent Inhibition of E. coli DXP Synthase by a gem -Diaryl Bisubstrate Analog.
Acs Infect Dis., 10, 2024
5FLE
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BU of 5fle by Molmil
High resolution NI,FE-CODH-320 mV with CN state
Descriptor: CARBON MONOXIDE DEHYDROGENASE 2, FE (II) ION, FE2/S2 (INORGANIC) CLUSTER, ...
Authors:Ciaccafava, A, Tombolelli, D, Domnik, L, Fesseler, J, Jeoung, J.-H, Dobbek, H, Mroginski, M.A, Hildebrandt, P, Zebger, I.
Deposit date:2015-10-26
Release date:2016-09-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.23 Å)
Cite:When the inhibitor tells more than the substrate: the cyanide-bound state of a carbon monoxide dehydrogenase.
Chem Sci, 7, 2016
7QAY
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BU of 7qay by Molmil
Crystal structure of a cyclodipeptide synthase from Parcubacteria bacterium RAAC4_OD1_1, Y55F mutant
Descriptor: Cyclodipeptide synthase
Authors:Sutherland, E, Harding, C.J, Czekster, C.M.
Deposit date:2021-11-17
Release date:2022-09-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.093 Å)
Cite:Active site remodelling of a cyclodipeptide synthase redefines substrate scope.
Commun Chem, 5, 2022
2Y8E
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BU of 2y8e by Molmil
Crystal structure of D. melanogaster Rab6 GTPase bound to GMPPNP
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, RAB-PROTEIN 6, ...
Authors:Walden, M, Edwards, T.A.
Deposit date:2011-02-04
Release date:2011-07-06
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Structure of the Drosophila Melanogaster Rab6 Gtpase at 1.4 A Resolution
Acta Crystallogr.,Sect.F, 67, 2011

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