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7OVA
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BU of 7ova by Molmil
Crystal structure of an AA9 LPMO
Descriptor: (2S)-2-hydroxybutanedioic acid, COPPER (II) ION, Endoglucanase, ...
Authors:Males, A, Correa, T.L.R, Murakami, M.T, Walton, P.H, Davies, G.J.
Deposit date:2021-06-14
Release date:2022-05-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structure of an AA9 LPMO
To Be Published
8P7P
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BU of 8p7p by Molmil
Isopenicillin N synthase in complex with Fe and Aad-Val-[(R)-1-amino-2-methylpropane-1-sulfonic acid]
Descriptor: (2~{S})-2-azanyl-6-[[(2~{R})-1-[[(1~{R})-2-methyl-1-sulfo-propyl]amino]-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-6-oxidanylidene-hexanoic acid, FE (III) ION, Isopenicillin N synthase, ...
Authors:Rabe, P, Schofield, C.J.
Deposit date:2023-05-30
Release date:2024-06-12
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Isopenicillin N synthase in complex with Fe and Aad-Val-[(R)-1-amino-2-methylpropane-1-sulfonic acid]
To Be Published
8P7O
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BU of 8p7o by Molmil
Isopenicillin N synthase in complex with Fe and Aad-Cys-[(S)-1-amino-2-methylpropane-1-sulfonic acid]
Descriptor: (2~{S})-2-azanyl-6-[[(2~{R})-1-[[(1~{S})-2-methyl-1-sulfo-propyl]amino]-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-6-oxidanylidene-hexanoic acid, FE (III) ION, Isopenicillin N synthase, ...
Authors:Rabe, P, Schofield, C.J.
Deposit date:2023-05-30
Release date:2024-06-12
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Isopenicillin N synthase in complex with Fe and Aad-Cys-[(S)-1-amino-2-methylpropane-1-sulfonic acid]
To Be Published
8PTV
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BU of 8ptv by Molmil
IPNS variant N252Q in complex with Fe and ACV under anaerobic conditions
Descriptor: FE (III) ION, Isopenicillin N synthase, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, ...
Authors:Rabe, P, Schofield, C.J.
Deposit date:2023-07-15
Release date:2024-07-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:IPNS variant N252Q in complex with Fe and ACV under anaerobic conditions
To Be Published
8OSI
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BU of 8osi by Molmil
Genetically encoded green ratiometric calcium indicator FNCaMP in calcium-bound state
Descriptor: CALCIUM ION, mNeonGreen,Calmodulin,Contig An16c0100, genomic contig
Authors:Varfolomeeva, L.A, Boyko, K.M, Nikolaeva, A.Y, Subach, O.M, Subach, F.V.
Deposit date:2023-04-19
Release date:2023-05-24
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:FNCaMP, ratiometric green calcium indicator based on mNeonGreen protein.
Biochem.Biophys.Res.Commun., 665, 2023
8QHE
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BU of 8qhe by Molmil
Crystal structure IR-09
Descriptor: 6-phosphogluconate dehydrogenase NADP-binding domain-containing protein, MAGNESIUM ION, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Levy, C.W.
Deposit date:2023-09-07
Release date:2023-10-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Biocatalysis in Drug Design: Engineered Reductive Aminases (RedAms) Are Used to Access Chiral Building Blocks with Multiple Stereocenters.
J.Am.Chem.Soc., 145, 2023
4ZA8
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BU of 4za8 by Molmil
Crystal structure of A niger Fdc1 in complex with penta-fluorocinnamic acid
Descriptor: 1-deoxy-5-O-phosphono-1-(3,3,4,5-tetramethyl-9,11-dioxo-2,3,8,9,10,11-hexahydro-7H-quinolino[1,8-fg]pteridin-12-ium-7-y l)-D-ribitol, 1-deoxy-5-O-phosphono-1-[(10aR)-2,2,3,4-tetramethyl-8,10-dioxo-1,2,8,9,10,10a-hexahydro-6H-indeno[1,7-ef]pyrimido[4,5-b][1,4]diazepin-6-yl]-D-ribitol, MANGANESE (II) ION, ...
Authors:Payne, K.A.P, Leys, D.
Deposit date:2015-04-13
Release date:2015-06-17
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.06 Å)
Cite:New cofactor supports alpha , beta-unsaturated acid decarboxylation via 1,3-dipolar cycloaddition.
Nature, 522, 2015
4ZAB
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BU of 4zab by Molmil
Structure of A. niger Fdc1 in complex with alpha-fluoro cinnamic acid
Descriptor: (2Z)-2-fluoro-3-phenylprop-2-enoic acid, 1-deoxy-5-O-phosphono-1-(3,3,4,5-tetramethyl-9,11-dioxo-2,3,8,9,10,11-hexahydro-7H-quinolino[1,8-fg]pteridin-12-ium-7-y l)-D-ribitol, 1-deoxy-5-O-phosphono-1-[(10aR)-2,2,3,4-tetramethyl-8,10-dioxo-1,2,8,9,10,10a-hexahydro-6H-indeno[1,7-ef]pyrimido[4,5-b][1,4]diazepin-6-yl]-D-ribitol, ...
Authors:Payne, K.A.P, Leys, D.
Deposit date:2015-04-13
Release date:2015-06-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.16 Å)
Cite:New cofactor supports alpha , beta-unsaturated acid decarboxylation via 1,3-dipolar cycloaddition.
Nature, 522, 2015
5ACG
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BU of 5acg by Molmil
X-ray Structure of LPMO
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, COPPER (II) ION, ...
Authors:Frandsen, K.E.H, Poulsen, J.N, Tovborg, M, Johansen, K.S, Lo Leggio, L.
Deposit date:2015-08-17
Release date:2016-03-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:The molecular basis of polysaccharide cleavage by lytic polysaccharide monooxygenases.
Nat. Chem. Biol., 12, 2016
4ZV7
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BU of 4zv7 by Molmil
Crystal structure of hexagonal form of lipase B from Candida antarctica
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Lipase B
Authors:Strzelczyk, P, Blaszczyk, J, Bujacz, G.
Deposit date:2015-05-18
Release date:2016-01-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal and molecular structure of hexagonal form of lipase B from Candida antarctica.
Acta Biochim.Pol., 63, 2016
4ZH5
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BU of 4zh5 by Molmil
Crystal structure of Endoglucanase from Perinereis brevicirris with Cellobiose
Descriptor: CALCIUM ION, CHLORIDE ION, Endoglucanase, ...
Authors:Fewings, R.S, Swiderska, A, Sanchez-Weatherby, J, Sorensen, T.-M, Schnorr, K.M, Kneale, G.G, McGeehan, J.E.
Deposit date:2015-04-24
Release date:2016-06-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Biophysical and structural characterisation of the endoglucanase from Perinereis brevicirris
To Be Published
5ACF
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BU of 5acf by Molmil
X-ray Structure of LPMO
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, COPPER (II) ION, ...
Authors:Frandsen, K.E.H, Poulsen, J.N, Tovborg, M, Johansen, K.S, Lo Leggio, L.
Deposit date:2015-08-17
Release date:2016-03-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The molecular basis of polysaccharide cleavage by lytic polysaccharide monooxygenases.
Nat. Chem. Biol., 12, 2016
5ACJ
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BU of 5acj by Molmil
X-ray Structure of LPMO
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, COPPER (II) ION, ...
Authors:Frandsen, K.E.H, Poulsen, J.N, Tovborg, M, Johansen, K.S, Lo Leggio, L.
Deposit date:2015-08-17
Release date:2016-03-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The molecular basis of polysaccharide cleavage by lytic polysaccharide monooxygenases.
Nat. Chem. Biol., 12, 2016
4ZG8
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BU of 4zg8 by Molmil
Crystal structure of Endoglucanase from Perinereis brevicirris
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, CHLORIDE ION, ...
Authors:Fewings, R.S, Swiderska, A, Sanchez-Weatherby, J, Sorensen, T.L.-M, Schnorr, K.M, Kneale, G.G, McGeehan, J.E.
Deposit date:2015-04-22
Release date:2016-06-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Biophysical and structural characterisation of the endoglucanase from Perinereis brevicirris
To Be Published
3MM1
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BU of 3mm1 by Molmil
Dye-decolorizing peroxidase (DyP) D171N
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, DyP, PROTOPORPHYRIN IX CONTAINING FE
Authors:Sugano, Y, Yoshida, T, Tsuge, H.
Deposit date:2010-04-19
Release date:2011-04-27
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:The catalytic mechanism of dye-decolorizing peroxidase DyP may require the swinging movement of an aspartic acid residue
Febs J., 278, 2011
5ACH
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BU of 5ach by Molmil
X-ray Structure of LPMO
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, COPPER (II) ION, ...
Authors:Frandsen, K.E.H, Poulsen, J.N, Tovborg, M, Johansen, K.S, Lo Leggio, L.
Deposit date:2015-08-17
Release date:2016-03-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:The molecular basis of polysaccharide cleavage by lytic polysaccharide monooxygenases.
Nat. Chem. Biol., 12, 2016
5A71
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BU of 5a71 by Molmil
Open and closed conformations and protonation states of Candida antarctica Lipase B: atomic resolution native
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ISOPROPYL ALCOHOL, LIPASE B, ...
Authors:Stauch, B, Fisher, S.J, Cianci, M.
Deposit date:2015-07-02
Release date:2015-10-21
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (0.91 Å)
Cite:Open and Closed States of Candida Antarctica Lipase B: Protonation and the Mechanism of Interfacial Activation.
J.Lipid Res., 56, 2015
3MM3
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BU of 3mm3 by Molmil
Dye-decolorizing peroxidase (DyP) D171N in complex with cyanide
Descriptor: CYANIDE ION, DyP, PROTOPORPHYRIN IX CONTAINING FE
Authors:Sugano, Y, Yoshida, T, Tsuge, H.
Deposit date:2010-04-19
Release date:2011-04-27
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:The catalytic mechanism of dye-decolorizing peroxidase DyP may require the swinging movement of an aspartic acid residue
Febs J., 278, 2011
5ACI
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BU of 5aci by Molmil
X-ray Structure of LPMO
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, COPPER (II) ION, ...
Authors:Frandsen, K.E.H, Poulsen, J.N, Tovborg, M, Johanson, K.S, Lo Leggio, L.
Deposit date:2015-08-17
Release date:2016-03-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:The molecular basis of polysaccharide cleavage by lytic polysaccharide monooxygenases.
Nat. Chem. Biol., 12, 2016
3MM2
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BU of 3mm2 by Molmil
Dye-decolorizing peroxidase (DyP) in complex with cyanide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CYANIDE ION, DyP, ...
Authors:Sugano, Y, Yoshida, T, Tsuge, H.
Deposit date:2010-04-19
Release date:2011-04-27
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:The catalytic mechanism of dye-decolorizing peroxidase DyP may require the swinging movement of an aspartic acid residue
Febs J., 278, 2011
5A6V
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BU of 5a6v by Molmil
Open and closed conformations and protonation states of Candida antarctica Lipase B: Xenon complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ISOPROPYL ALCOHOL, LIPASE B, ...
Authors:Stauch, B, Fisher, S.J, Cianci, M.
Deposit date:2015-07-01
Release date:2015-10-21
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Open and Closed States of Candida Antarctica Lipase B: Protonation and the Mechanism of Interfacial Activation.
J.Lipid Res., 56, 2015
2BU4
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BU of 2bu4 by Molmil
RIBONUCLEASE T1 COMPLEX WITH 2'GMP
Descriptor: CALCIUM ION, GUANOSINE-2'-MONOPHOSPHATE, PROTEIN (RIBONUCLEASE T1)
Authors:Loris, R, Devos, S, Langhorst, U, Decanniere, K, Bouckaert, J, Maes, D, Transue, T.R, Steyaert, J.
Deposit date:1998-09-14
Release date:1998-09-23
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Conserved water molecules in a large family of microbial ribonucleases.
Proteins, 36, 1999
3GKO
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BU of 3gko by Molmil
Crystal structure of urate oxydase using surfactant Poloxamer 188 as a New Crystallizing Agent
Descriptor: 8-AZAXANTHINE, POTASSIUM ION, Uricase
Authors:Delfosse, V, Giffard, M, Sciara, G, Bonnete, F, Mayer, C.
Deposit date:2009-03-11
Release date:2010-02-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Surfactant Poloxamer 188 as a New Crystallizing Agent for Urate Oxidase
Cryst.Growth Des., 9, 2009
1H3J
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BU of 1h3j by Molmil
STRUCTURE OF RECOMBINANT COPRINUS CINEREUS PEROXIDASE DETERMINED TO 2.0 A
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, MAGNESIUM ION, ...
Authors:Petersen, J.F.W, Houborg, K, Harris, P, Larsen, S.
Deposit date:2002-09-05
Release date:2003-06-12
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Impact of the Physical and Chemical Environment on the Molecular Structure of Coprinus Cinereus Peroxidase
Acta Crystallogr.,Sect.D, 59, 2003
1GZ1
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BU of 1gz1 by Molmil
Mutant D416A of the CELLOBIOHYDROLASE CEL6A FROM HUMICOLA INSOLENS in complex with methyl-cellobiosyl-4-deoxy-4-thio-beta-D-cellobioside
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CELLOBIOHYDROLASE II, SODIUM ION, ...
Authors:Varrot, A, Frandsen, T, Driguez, H, Davies, G.J.
Deposit date:2002-05-13
Release date:2003-02-12
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of the Humicola Insolens Cellobiohydrolase Cel6A D416A Mutant in Complex with a Non-Hydrolysable Substrate Analogue, Methyl Cellobiosyl-4-Thio-Beta-Cellobioside, at 1.9 A
Acta Crystallogr.,Sect.D, 58, 2002

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