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1MP4
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BU of 1mp4 by Molmil
W224H VARIANT OF S. ENTERICA RmlA
Descriptor: URIDINE-5'-DIPHOSPHATE-GLUCOSE, W224H Variant of S. Enterica RmlA Bound to UDP-Glucose
Authors:Barton, W.A, Biggins, J.B, Jiang, J, Thorson, J.S, Nikolov, D.B.
Deposit date:2002-09-11
Release date:2002-10-09
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Expanding pyrimidine diphosphosugar libraries via structure-based nucleotidylyltransferase engineering
Proc.Natl.Acad.Sci.USA, 99, 2002
1MP3
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BU of 1mp3 by Molmil
L89T VARIANT OF S. ENTERICA RmlA
Descriptor: GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, THYMIDINE-5'-TRIPHOSPHATE
Authors:Barton, W.A, Biggins, J.B, Jiang, J, Thorson, J.T, Nikolov, D.B.
Deposit date:2002-09-11
Release date:2002-10-09
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Expanding pyrimidine diphosphosugar libraries via structure-based nucleotidylyltransferase engineering
Proc.Natl.Acad.Sci.USA, 99, 2002
1A50
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BU of 1a50 by Molmil
CRYSTAL STRUCTURE OF WILD-TYPE TRYPTOPHAN SYNTHASE COMPLEXED WITH 5-FLUOROINDOLE PROPANOL PHOSPHATE
Descriptor: 5-FLUOROINDOLE PROPANOL PHOSPHATE, PYRIDOXAL-5'-PHOSPHATE, SODIUM ION, ...
Authors:Schneider, T.R, Gerhardt, E, Lee, M, Liang, P.-H, Anderson, K.S, Schlichting, I.
Deposit date:1998-02-18
Release date:1999-03-30
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Loop closure and intersubunit communication in tryptophan synthase.
Biochemistry, 37, 1998
4MIC
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BU of 4mic by Molmil
Crystal structure of Gpb in complex with SUGAR (N-{(2E)-3-[4-(PROPAN-2-YL)PHENYL]PROP-2-ENOYL}-BETA-D-GLUCOPYRANOSYLAMINE) (S6)
Descriptor: Glycogen phosphorylase, muscle form, N-{(2E)-3-[4-(propan-2-yl)phenyl]prop-2-enoyl}-beta-D-glucopyranosylamine
Authors:Kantsadi, A.L, Chatzileontiadou, D.S.M, Leonidas, D.D.
Deposit date:2013-08-30
Release date:2014-07-23
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structure based inhibitor design targeting glycogen phosphorylase b. Virtual screening, synthesis, biochemical and biological assessment of novel N-acyl-beta-d-glucopyranosylamines.
Bioorg.Med.Chem., 22, 2014
4X9Y
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BU of 4x9y by Molmil
Wild-Type Human Pancreatic Alpha-Amylase at True Atomic Resolution (1.07 A)
Descriptor: CALCIUM ION, CHLORIDE ION, Pancreatic alpha-amylase
Authors:Caner, S, Brayer, G.D.
Deposit date:2014-12-11
Release date:2014-12-31
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.07 Å)
Cite:Wild-Type Human Pancreatic Alpha-Amylase at True Atomic Resolution (1.07 A)
To be published
6F29
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BU of 6f29 by Molmil
Crystal structure of the kainate receptor GluK3 ligand binding domain in complex with (S)-1-[2-Amino-2-carboxyethyl]-5,7-dihydrothieno[3,4-d]pyrimidin-2,4(1H,3H)-dione at resolution 2.6A
Descriptor: (2~{S})-2-azanyl-3-[2,4-bis(oxidanylidene)-5,7-dihydrothieno[3,4-d]pyrimidin-1-yl]propanoic acid, CHLORIDE ION, Glutamate receptor ionotropic, ...
Authors:Venskutonyte, R, Frydenvang, K, Kastrup, J.S.
Deposit date:2017-11-23
Release date:2018-02-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:( S)-2-Amino-3-(5-methyl-3-hydroxyisoxazol-4-yl)propanoic Acid (AMPA) and Kainate Receptor Ligands: Further Exploration of Bioisosteric Replacements and Structural and Biological Investigation.
J. Med. Chem., 61, 2018
5NM3
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BU of 5nm3 by Molmil
Deinococcus radiodurans BphP PAS-GAF-PHY Y263F mutant, pre-illuminated
Descriptor: 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, Bacteriophytochrome
Authors:Takala, H, Westehoff, S, Ihalainen, J.A.
Deposit date:2017-04-05
Release date:2018-04-18
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:On the (un)coupling of the chromophore, tongue interactions, and overall conformation in a bacterial phytochrome.
J. Biol. Chem., 293, 2018
4MPV
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BU of 4mpv by Molmil
Human beta-tryptase co-crystal structure with (2R,4S)-N,N'-bis[3-({4-[3-(aminomethyl)phenyl]piperidin-1-yl}carbonyl)phenyl]-4-hydroxy-2-(2-hydroxypropan-2-yl)-5,5-dimethyl-1,3-dioxolane-2,4-dicarboxamide
Descriptor: (2R,4S)-N,N'-bis[3-({4-[3-(aminomethyl)phenyl]piperidin-1-yl}carbonyl)phenyl]-4-hydroxy-2-(2-hydroxypropan-2-yl)-5,5-dimethyl-1,3-dioxolane-2,4-dicarboxamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ...
Authors:White, A, Stein, A.J, Suto, R.
Deposit date:2013-09-13
Release date:2015-03-18
Last modified:2019-09-25
Method:X-RAY DIFFRACTION (2.305 Å)
Cite:Target-Directed Self-Assembly of Homodimeric Drugs Against beta-Tryptase.
Acs Med.Chem.Lett., 9, 2018
5NFX
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BU of 5nfx by Molmil
Deinococcus radiodurans BphP PAS-GAF Y263F mutant
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, ACETATE ION, ...
Authors:Takala, H, Westenhoff, S, Ihalainen, J.A.
Deposit date:2017-03-16
Release date:2018-04-18
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:On the (un)coupling of the chromophore, tongue interactions, and overall conformation in a bacterial phytochrome.
J. Biol. Chem., 293, 2018
1CTM
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BU of 1ctm by Molmil
CRYSTAL STRUCTURE OF CHLOROPLAST CYTOCHROME F REVEALS A NOVEL CYTOCHROME FOLD AND UNEXPECTED HEME LIGATION
Descriptor: CYTOCHROME F, HEME C
Authors:Martinez, S.E, Huang, D, Szczepaniak, A, Cramer, W.A, Smith, J.L.
Deposit date:1994-01-02
Release date:1994-05-31
Last modified:2021-03-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of chloroplast cytochrome f reveals a novel cytochrome fold and unexpected heme ligation.
Structure, 2, 1994
4O8K
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BU of 4o8k by Molmil
Crystal structure of Type III pantothenate kinase from Burkholderia thailandensis, apo structure
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, PHOSPHATE ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID), Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2013-12-28
Release date:2014-01-15
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of Type III pantothenate kinase from Burkholderia thailandensis, apo structure
To be Published
1TL2
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BU of 1tl2 by Molmil
TACHYLECTIN-2 FROM TACHYPLEUS TRIDENTATUS (JAPANESE HORSESHOE CRAB)
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose, PROTEIN (TACHYLECTIN-2)
Authors:Beisel, H.-G, Kawabata, S, Iwanaga, S, Huber, R, Bode, W.
Deposit date:1998-12-14
Release date:1999-12-15
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Tachylectin-2: crystal structure of a specific GlcNAc/GalNAc-binding lectin involved in the innate immunity host defense of the Japanese horseshoe crab Tachypleus tridentatus.
EMBO J., 18, 1999
7MQY
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BU of 7mqy by Molmil
Zebrafish CNTN4 APLP2 complex
Descriptor: Fusion protein of CNTN4 and APLP2
Authors:Bouyain, S, Karuppan, S.J.
Deposit date:2021-05-07
Release date:2022-01-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Members of the vertebrate contactin and amyloid precursor protein families interact through a conserved interface.
J.Biol.Chem., 298, 2021
7MRQ
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BU of 7mrq by Molmil
Chicken CNTN4 FN1-FN3 domains with T751A, V752A, Y781A, E786A mutations
Descriptor: Contactin-4
Authors:Bouyain, S, Karuppan, S.J.
Deposit date:2021-05-08
Release date:2022-01-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Members of the vertebrate contactin and amyloid precursor protein families interact through a conserved interface.
J.Biol.Chem., 298, 2021
7MRO
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BU of 7mro by Molmil
Zebrafish CNTN4 FN1-FN3 domains
Descriptor: Contactin-4
Authors:Bouyain, S, Karuppan, S.J.
Deposit date:2021-05-07
Release date:2022-01-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Members of the vertebrate contactin and amyloid precursor protein families interact through a conserved interface.
J.Biol.Chem., 298, 2021
7MRS
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BU of 7mrs by Molmil
Zebrafish CNTN4 APPb complex
Descriptor: Amyloid-beta A4 protein, Contactin-4
Authors:Bouyain, S, Karuppan, S.J.
Deposit date:2021-05-09
Release date:2022-01-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.93 Å)
Cite:Members of the vertebrate contactin and amyloid precursor protein families interact through a conserved interface.
J.Biol.Chem., 298, 2021
7MRM
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BU of 7mrm by Molmil
Chicken CNTN3 APP complex
Descriptor: Fusion protein of Chicken CNTN3 FN1-FN2 domains and Amyloid-beta A4 protein,Amyloid-beta A4 protein, SULFATE ION
Authors:Bouyain, S, Karuppan, S.J.
Deposit date:2021-05-07
Release date:2022-01-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Members of the vertebrate contactin and amyloid precursor protein families interact through a conserved interface.
J.Biol.Chem., 298, 2021
7MRK
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BU of 7mrk by Molmil
Chicken CNTN4 APP complex
Descriptor: Amyloid-beta A4 protein, Contactin-4, DI(HYDROXYETHYL)ETHER
Authors:Bouyain, S, Karuppan, S.J.
Deposit date:2021-05-07
Release date:2022-01-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Members of the vertebrate contactin and amyloid precursor protein families interact through a conserved interface.
J.Biol.Chem., 298, 2021
2VF4
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BU of 2vf4 by Molmil
E. coli glucosamine-6-P synthase
Descriptor: GLUCOSAMINE--FRUCTOSE-6-PHOSPHATE AMINOTRANSFERASE
Authors:Mouilleron, S, Golinelli-Pimpaneau, B.
Deposit date:2007-10-30
Release date:2008-03-04
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Ordering of C-Terminal Loop and Glutaminase Domains of Glucosamine-6-Phosphate Synthase Promotes Sugar Ring Opening and Formation of the Ammonia Channel.
J.Mol.Biol., 377, 2008
1A5S
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BU of 1a5s by Molmil
CRYSTAL STRUCTURE OF WILD-TYPE TRYPTOPHAN SYNTHASE COMPLEXED WITH 5-FLUOROINDOLE PROPANOL PHOSPHATE AND L-SER BOUND AS AMINO ACRYLATE TO THE BETA SITE
Descriptor: 5-FLUOROINDOLE PROPANOL PHOSPHATE, PYRIDOXAL-5'-PHOSPHATE, SERINE, ...
Authors:Schneider, T.R, Gerhardt, E, Lee, M, Liang, P.-H, Anderson, K.S, Schlichting, I.
Deposit date:1998-02-17
Release date:1999-03-30
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Loop closure and intersubunit communication in tryptophan synthase.
Biochemistry, 37, 1998
7VRT
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BU of 7vrt by Molmil
The unexpanded head structure of phage T4
Descriptor: Capsid vertex protein, Major capsid protein
Authors:Fang, Q, Tang, W, Fokine, A, Mahalingam, M, Shao, Q, Rossmann, M.G, Rao, V.B.
Deposit date:2021-10-24
Release date:2022-10-05
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (5.1 Å)
Cite:Structures of a large prolate virus capsid in unexpanded and expanded states generate insights into the icosahedral virus assembly.
Proc.Natl.Acad.Sci.USA, 119, 2022
7VS5
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BU of 7vs5 by Molmil
The expanded head structure of phage T4
Descriptor: Capsid vertex protein, Major capsid protein, Small outer capsid protein
Authors:Fang, Q, Tang, W, Fokine, A, Mahalingam, M, Shao, Q, Rossmann, M.G, Rao, V.B.
Deposit date:2021-10-25
Release date:2022-10-05
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structures of a large prolate virus capsid in unexpanded and expanded states generate insights into the icosahedral virus assembly.
Proc.Natl.Acad.Sci.USA, 119, 2022
6J1N
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BU of 6j1n by Molmil
Anisodus acutangulus type III polyketide sythase AaPKS2 in complex with 4-carboxy-3-oxobutanoyl-CoA
Descriptor: (3R,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14,19,21-tetraoxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphatricosan-23-oic acid 3,5-dioxide (non-preferred name), A. acutangulus PKS2
Authors:Fang, C.L, Zhang, Y.
Deposit date:2018-12-28
Release date:2019-09-11
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.532 Å)
Cite:Tropane alkaloids biosynthesis involves an unusual type III polyketide synthase and non-enzymatic condensation.
Nat Commun, 10, 2019
2X8K
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BU of 2x8k by Molmil
Crystal Structure of SPP1 Dit (gp 19.1) Protein, a Paradigm of Hub Adsorption Apparatus in Gram-positive Infecting Phages.
Descriptor: HYPOTHETICAL PROTEIN 19.1
Authors:Veesler, D, Robin, G, Lichiere, J, Auzat, I, Tavares, P, Bron, P, Campanacci, V, Cambillau, C.
Deposit date:2010-03-10
Release date:2010-09-15
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Crystal Structure of Bacteriophage Spp1 Distal Tail Protein (Gp 19.1): A Baseplate Hub Paradigm in Gram+ Infecting Phages.
J.Biol.Chem., 285, 2010
1RMM
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BU of 1rmm by Molmil
Probing the Role of Tryptophans in Aequorea Victoria Green Fluorescent Proteins with an Expanded Genetic Code
Descriptor: SIGF1-GFP fusion protein
Authors:Budisa, N, Pal, P.P, Alefelder, S, Birle, P, Krywcun, T, Rubini, M, Wenger, W, Bae, J.H, Steiner, T.
Deposit date:2003-11-28
Release date:2004-06-08
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Probing the role of tryptophans in Aequorea victoria green fluorescent proteins with an expanded genetic code
Biol.Chem., 385, 2004

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