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3S9J
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BU of 3s9j by Molmil
Crystal structure of a member of duf4221 family (BVU_1028) from Bacteroides vulgatus atcc 8482 at 1.75 A resolution
Descriptor: FORMIC ACID, GLYCEROL, Member of DUF4221 family, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2011-06-01
Release date:2011-06-22
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structure of a Member of DUF4221 family (BVU_1028) from Bacteroides vulgatus ATCC 8482 at 1.75 A resolution
To be published
3SCE
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BU of 3sce by Molmil
Structure of the Thioalkalivibrio nitratireducens cytochrome c nitrite reductase with a covalent bond between the CE1 atom of Tyr303 and the CG atom of Gln360 (TvNiRb)
Descriptor: 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, CALCIUM ION, Eight-heme nitrite reductase, ...
Authors:Trofimov, A.A, Polyakov, K.M, Boyko, K.M, Tikhonova, T.V, Popov, V.O.
Deposit date:2011-06-07
Release date:2011-07-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Covalent modifications of the catalytic tyrosine in octahaem cytochrome c nitrite reductase and their effect on the enzyme activity.
Acta Crystallogr.,Sect.D, 68, 2012
4C2U
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BU of 4c2u by Molmil
Crystal structure of Deinococcus radiodurans UvrD in complex with DNA, Form 1
Descriptor: DNA HELICASE II, FOR25, GLYCEROL, ...
Authors:Stelter, M, Acajjaoui, S, McSweeney, S, Timmins, J.
Deposit date:2013-08-20
Release date:2013-10-30
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structural and Mechanistic Insight Into DNA Unwinding by Deinococcus Radiodurans Uvrd.
Plos One, 8, 2013
2A2A
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BU of 2a2a by Molmil
High-resolution crystallographic analysis of the autoinhibited conformation of a human death-associated protein kinase
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, CHLORIDE ION, Death-associated protein kinase 2, ...
Authors:Kursula, P, Wilmanns, M.
Deposit date:2005-06-22
Release date:2006-10-17
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Death-Associated Protein Kinase Activity Is Regulated by Coupled Calcium/Calmodulin Binding to Two Distinct Sites
Structure, 2016
4FB1
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BU of 4fb1 by Molmil
Crystal Structure of WT MauG in Complex with Pre-Methylamine Dehydrogenase Aged 60 Days
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, HEME C, ...
Authors:Yukl, E.T, Wilmot, C.M.
Deposit date:2012-05-22
Release date:2013-03-27
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Diradical intermediate within the context of tryptophan tryptophylquinone biosynthesis.
Proc.Natl.Acad.Sci.USA, 110, 2013
2QHF
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BU of 2qhf by Molmil
Mycobacterium tuberculosis Chorismate synthase in complex with NCA
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, CHLORIDE ION, ...
Authors:Bruning, M, Bourenkov, G.P, Strizhov, N.I, Bartunik, H.D.
Deposit date:2007-07-02
Release date:2008-07-15
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Mycobacterium tuberculosis Chorismate synthase in complex with NCA
To be Published
3TJL
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BU of 3tjl by Molmil
Crystal Structure of a Novel OYE from the Xylose-fermenting Fungus P. stipitis
Descriptor: FLAVIN MONONUCLEOTIDE, MALONIC ACID, NADPH dehydrogenase, ...
Authors:Pompeu, Y.A, Stewart, J.D.
Deposit date:2011-08-24
Release date:2012-07-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural and Catalytic Characterization of Pichia stipitis OYE 2.6, a Useful Biocatalyst for Asymmetric Alkene Reductions
Adv.Synth.Catal., 2012
3U27
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BU of 3u27 by Molmil
Crystal structure of ethanolamine utilization protein EutL from Leptotrichia buccalis C-1013-b
Descriptor: CALCIUM ION, GLYCEROL, Microcompartments protein, ...
Authors:Wu, R, Gu, M, Kerfeld, C.A, Salmeen, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2011-10-01
Release date:2012-02-08
Last modified:2020-01-29
Method:X-RAY DIFFRACTION (1.852 Å)
Cite:Crystal structure of ethanolamine utilization protein EutL from Leptotrichia buccalis C-1013-b
To be Published
3U1O
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BU of 3u1o by Molmil
THREE DIMENSIONAL STRUCTURE OF DE NOVO DESIGNED CYSTEINE ESTERASE ECH19, Northeast Structural Genomics Consortium Target OR49
Descriptor: De Novo design cysteine esterase ECH19, SODIUM ION, SULFATE ION
Authors:Kuzin, A, Su, M, Lew, S, Forouhar, F, Seetharaman, J, Daya, P, Xiao, R, Ciccosanti, C, Richter, F, Everett, J.K, Acton, T.B, Baker, D, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2011-09-30
Release date:2011-10-26
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.494 Å)
Cite:Computational design of catalytic dyads and oxyanion holes for ester hydrolysis.
J.Am.Chem.Soc., 134, 2012
3HKV
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BU of 3hkv by Molmil
Human poly(ADP-ribose) polymerase 10, catalytic fragment in complex with an inhibitor 3-aminobenzamide
Descriptor: 3-aminobenzamide, PHOSPHATE ION, Poly [ADP-ribose] polymerase 10, ...
Authors:Karlberg, T, Moche, M, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Kotenyova, T, Kotzsch, A, Nielsen, T.K, Nordlund, P, Nyman, T, Persson, C, Roos, A.K, Sagemark, J, Schutz, P, Siponen, M.I, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Welin, M, Wisniewska, M, Schuler, H, Structural Genomics Consortium (SGC)
Deposit date:2009-05-26
Release date:2009-06-16
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Human Poly(Adp-Ribose) Polymerase 10, Catalytic Fragment in Complex with an Inhibitor 3-Aminobenzamide
To be Published
4Z6E
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BU of 4z6e by Molmil
Structure of human DNA polymerase beta 279NA mutant complexed with G in the template base paired with incoming non-hydrolyzable TTP and MANGANESE
Descriptor: 5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]thymidine, DNA (5'-D(*CP*CP*GP*AP*CP*GP*TP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*A)-3'), ...
Authors:Koag, M.-C, Lee, S.
Deposit date:2015-04-04
Release date:2016-04-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.752 Å)
Cite:Insights into the effect of minor groove interactions and metal cofactors on mutagenic replication by human DNA polymerase beta.
Biochem. J., 475, 2018
3HYS
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BU of 3hys by Molmil
Structure of Rv0554 from Mycobacterium tuberculosis complexed with Malonic Acid
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MALONIC ACID, ...
Authors:Johnston, J.M, Baker, E.N.
Deposit date:2009-06-23
Release date:2010-06-02
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural and functional analysis of Rv0554 from Mycobacterium tuberculosis: testing a putative role in menaquinone biosynthesis.
Acta Crystallogr.,Sect.D, 66, 2010
1MMU
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BU of 1mmu by Molmil
Crystal structure of galactose mutarotase from Lactococcus lactis complexed with D-glucose
Descriptor: Aldose 1-epimerase, SODIUM ION, beta-D-glucopyranose
Authors:Thoden, J.B, Kim, J, Raushel, F.M, Holden, H.M.
Deposit date:2002-09-04
Release date:2002-09-18
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and kinetic studies of sugar binding to galactose mutarotase from Lactococcus lactis.
J.Biol.Chem., 277, 2002
7U64
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BU of 7u64 by Molmil
Crystal Structure of Anti-Fentanyl Antibody HY6-F9.6 Fab Complexed with Fentanyl
Descriptor: ACETATE ION, HY6-F9.6 Fab heavy chain, HY6-F9.6 Fab light chain, ...
Authors:Rodarte, J.V, Pancera, M.P.
Deposit date:2022-03-03
Release date:2023-01-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structures of drug-specific monoclonal antibodies bound to opioids and nicotine reveal a common mode of binding.
Structure, 31, 2023
3HLT
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BU of 3hlt by Molmil
The crystal structure of human haloacid dehalogenase-like hydrolase domain containing 2 (HDHD2)
Descriptor: CHLORIDE ION, HDHD2, SODIUM ION, ...
Authors:Ugochukwu, E, Shafqat, N, Yue, W.W, Cocking, R, Bray, J.E, Muniz, J.R.C, Krojer, T, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Oppermann, U, Structural Genomics Consortium (SGC)
Deposit date:2009-05-28
Release date:2009-07-07
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The crystal structure of human haloacid dehalogenase-like hydrolase domain containing 2 (HDHD2)
To be Published
4ZHK
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BU of 4zhk by Molmil
Crystal structure of RPE65 in complex with MB-002
Descriptor: (1R)-1-[3-(cyclohexylmethoxy)phenyl]propane-1,3-diol, (1S)-1-[3-(cyclohexylmethoxy)phenyl]propane-1,3-diol, FE (II) ION, ...
Authors:Kiser, P.D, Palczewski, K.
Deposit date:2015-04-25
Release date:2015-05-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Molecular pharmacodynamics of emixustat in protection against retinal degeneration.
J.Clin.Invest., 125, 2015
4Z46
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BU of 4z46 by Molmil
X-ray structure of the bis-platinum lysozyme adduct formed in the reaction between the protein and the two drugs Cisplatin and Oxaliplatin
Descriptor: 1,2-ETHANEDIOL, CYCLOHEXANE-1(R),2(R)-DIAMINE-PLATINUM(II), Cisplatin, ...
Authors:Merlino, A.
Deposit date:2015-04-01
Release date:2015-05-27
Last modified:2015-06-10
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Oxaliplatin vs. cisplatin: competition experiments on their binding to lysozyme.
Dalton Trans, 44, 2015
4Z48
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BU of 4z48 by Molmil
Crystal structure of a DUF1329 family protein (DESPIG_00262) from Desulfovibrio piger ATCC 29098 at 1.75 A resolution
Descriptor: CHLORIDE ION, IODIDE ION, PENTAETHYLENE GLYCOL, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2015-04-01
Release date:2015-04-22
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structure of a DUF1329 family protein (DESPIG_00262) from Desulfovibrio piger ATCC 29098 at 1.75 A resolution
To be published
3HPT
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BU of 3hpt by Molmil
Crystal structure of human FxA in complex with (S)-2-cyano-1-(2-methylbenzofuran-5-yl)-3-(2-oxo-1-(2-oxo-2-(pyrrolidin-1-yl)ethyl)azepan-3-yl)guanidine
Descriptor: 1-cyano-2-(2-methyl-1-benzofuran-5-yl)-3-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]guanidine, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETATE ION, ...
Authors:Klei, H.E, Ghosh, K, Rushith, A, Kish, K.
Deposit date:2009-06-04
Release date:2009-11-17
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Cyanoguanidine-based lactam derivatives as a novel class of orally bioavailable factor Xa inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
6DTD
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BU of 6dtd by Molmil
High-resolution crystal structure of Cas13b from Prevotella buccae
Descriptor: CHLORIDE ION, CITRIC ACID, RNA (37-MER), ...
Authors:Slaymaker, I.M.S, Zhang, F.Z.
Deposit date:2018-06-15
Release date:2019-02-20
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:High-Resolution Structure of Cas13b and Biochemical Characterization of RNA Targeting and Cleavage.
Cell Rep, 26, 2019
4Z2I
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BU of 4z2i by Molmil
Serratia marcescens Chitinase B complexed with macrolide inhibitor 30
Descriptor: (1R,2R,3R,6R,7S,8S,9R,10R,12R,13S,17S)-3-ethyl-2,10-dihydroxy-2,6,8,10,12,15,15,17-octamethyl-5-oxo-9-(prop-2-yn-1-yloxy)-4,14,16-trioxabicyclo[11.3.1]heptadec-7-yl {3-[N'-(methylcarbamoyl)carbamimidamido]propyl}carbamate, Chitinase B, GLYCEROL, ...
Authors:Maita, N, Sugawara, A, Sunazuka, T.
Deposit date:2015-03-30
Release date:2015-07-01
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Creation of Customized Bioactivity within a 14-Membered Macrolide Scaffold: Design, Synthesis, and Biological Evaluation Using a Family-18 Chitinase
J.Med.Chem., 58, 2015
1MOQ
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BU of 1moq by Molmil
ISOMERASE DOMAIN OF GLUCOSAMINE 6-PHOSPHATE SYNTHASE COMPLEXED WITH GLUCOSAMINE 6-PHOSPHATE
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-amino-2-deoxy-6-O-phosphono-alpha-D-glucopyranose, ...
Authors:Teplyakov, A.
Deposit date:1997-04-11
Release date:1998-10-07
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Involvement of the C terminus in intramolecular nitrogen channeling in glucosamine 6-phosphate synthase: evidence from a 1.6 A crystal structure of the isomerase domain.
Structure, 6, 1998
3HSS
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BU of 3hss by Molmil
A higher resolution structure of Rv0554 from Mycobacterium tuberculosis complexed with malonic acid
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, ...
Authors:Johnston, J.M, Baker, E.N.
Deposit date:2009-06-10
Release date:2010-05-26
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and functional analysis of Rv0554 from Mycobacterium tuberculosis: testing a putative role in menaquinone biosynthesis.
Acta Crystallogr.,Sect.D, 66, 2010
1MMZ
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BU of 1mmz by Molmil
Crystal structure of galactose mutarotase from Lactococcus lactis complexed with L-arabinose
Descriptor: Aldose 1-epimerase, SODIUM ION, beta-L-arabinopyranose
Authors:Thoden, J.B, Kim, J, Raushel, R.M, Holden, H.M.
Deposit date:2002-09-04
Release date:2002-09-18
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and kinetic studies of sugar binding to galactose mutarotase from Lactococcus lactis.
J.Biol.Chem., 277, 2002
7VD8
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BU of 7vd8 by Molmil
1.96 A structure of human apoferritin obtained from Talos Arctica microscope
Descriptor: Ferritin heavy chain, SODIUM ION, ZINC ION
Authors:Fan, H.C, Zhang, Y, Sun, F.
Deposit date:2021-09-06
Release date:2021-12-29
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (1.96 Å)
Cite:A cryo-electron microscopy support film formed by 2D crystals of hydrophobin HFBI.
Nat Commun, 12, 2021

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