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1LBQ
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BU of 1lbq by Molmil
The crystal structure of Saccharomyces cerevisiae ferrochelatase
Descriptor: Ferrochelatase
Authors:Karlberg, T, Lecerof, D, Gora, M, Silvegren, G, Labbe-Bois, R, Hansson, M, Al-Karadaghi, S.
Deposit date:2002-04-04
Release date:2002-11-20
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Metal binding to Saccharomyces cerevisiae ferrochelatase
Biochemistry, 41, 2002
1L2U
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BU of 1l2u by Molmil
Orotidine 5'-monophosphate decarboxylase from E. coli
Descriptor: Orotidine 5'-phosphate decarboxylase
Authors:Harris, P, Poulsen, J.C, Jensen, K.F, Larsen, S.
Deposit date:2002-02-25
Release date:2002-03-13
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Substrate binding induces domain movements in orotidine 5'-monophosphate decarboxylase
J.Mol.Biol., 18, 2002
6L05
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BU of 6l05 by Molmil
Crystal structure of uPA_H99Y in complex with 50F
Descriptor: 3-azanyl-5-(azepan-1-yl)-6-(1-benzofuran-2-yl)-Ncarbamimidoyl-pyrazine-2-carboxamide, Urokinase-type plasminogen activator
Authors:Buckley, B, Jiang, L.G, Huang, M.D, Kelso, M, Ranson, M.
Deposit date:2019-09-26
Release date:2020-09-30
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Crystal structure of uPA_H99Y in complex with 50F
To Be Published
6L04
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BU of 6l04 by Molmil
Crystal structure of uPA_H99Y in complex with 31F
Descriptor: 3-azanyl-5-(azepan-1-yl)-N-carbamimidoyl-6-(2,4-dimethoxypyrimidin-5-yl)pyrazine-2-carboxamide, Urokinase-type plasminogen activator
Authors:Buckley, B, Jiang, L.G, Huang, M.D, Kelso, M, Ranson, M.
Deposit date:2019-09-26
Release date:2020-09-30
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Crystal structure of uPA_H99Y in complex with 31F
To Be Published
8UV0
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BU of 8uv0 by Molmil
Discovery of (4-Pyrazolyl)-2-Aminopyrimidines as Potent and Selective Inhibitors of Cyclin-Dependent Kinase 2
Descriptor: 1-{(4M)-4-[2-{[1-(cyclopropanesulfonyl)piperidin-4-yl]amino}-5-(trifluoromethyl)pyrimidin-4-yl]-1H-pyrazol-1-yl}-2-methylpropan-2-ol, Cyclin-dependent kinase 2
Authors:Deller, M.C, Epling, L.B.
Deposit date:2023-11-02
Release date:2024-02-14
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Discovery of (4-Pyrazolyl)-2-aminopyrimidines as Potent and Selective Inhibitors of Cyclin-Dependent Kinase 2.
J.Med.Chem., 67, 2024
8RBI
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BU of 8rbi by Molmil
Crystal structure of Paradendryphiella salina PL7C alginate lyase mutant H124
Descriptor: Alginate lyase, DI(HYDROXYETHYL)ETHER, SODIUM ION
Authors:Wilkens, C.
Deposit date:2023-12-04
Release date:2024-01-17
Last modified:2025-07-02
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:Unraveling the molecular mechanism of polysaccharide lyases for efficient alginate degradation.
Nat Commun, 16, 2025
8RB6
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BU of 8rb6 by Molmil
Structure of Aldo-Keto Reductase 1C3 (AKR1C3) in complex with an inhibitor M689, with the 3-hydroxy-benzoisoxazole moiety. Resolution 2.0A
Descriptor: 1,2-ETHANEDIOL, 4-[[4-(3-hydroxyphenyl)phenyl]amino]-1,2-benzoxazol-3-ol, Aldo-keto reductase family 1 member C3, ...
Authors:Frydenvang, K, Mirza, O.A.
Deposit date:2023-12-03
Release date:2024-03-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-guided optimization of 3-hydroxybenzoisoxazole derivatives as inhibitors of Aldo-keto reductase 1C3 (AKR1C3) to target prostate cancer.
Eur.J.Med.Chem., 268, 2024
8RJ6
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BU of 8rj6 by Molmil
E. coli adenylate kinase in complex with ATP and AMP and Mg2+ as a result of enzymatic AP4A hydrolysis.
Descriptor: ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Tischlik, S, Ronge, P, Wolf-Watz, M, Sauer-Eriksson, A.E.
Deposit date:2023-12-20
Release date:2024-07-10
Last modified:2024-08-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Magnesium induced structural reorganization in the active site of adenylate kinase.
Sci Adv, 10, 2024
8RJ4
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BU of 8rj4 by Molmil
E. coli adenylate kinase in complex with two ADP molecules and Mg2+ as a result of enzymatic AP4A hydrolysis
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Adenylate kinase, CHLORIDE ION, ...
Authors:Tischlik, S, Ronge, P, Wolf-Watz, M, Sauer-Eriksson, A.E.
Deposit date:2023-12-20
Release date:2024-07-10
Last modified:2024-08-28
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Magnesium induced structural reorganization in the active site of adenylate kinase.
Sci Adv, 10, 2024
1TW3
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BU of 1tw3 by Molmil
Crystal structure of Carminomycin-4-O-methyltransferase (DnrK) in complex with S-adenosyl-L-homocystein (SAH) and 4-methoxy-e-rhodomycin T (M-ET)
Descriptor: Carminomycin 4-O-methyltransferase, METHYL (4R)-2-ETHYL-2,5,12-TRIHYDROXY-7-METHOXY-6,11-DIOXO-4-{[2,3,6-TRIDEOXY-3-(DIMETHYLAMINO)-BETA-D-RIBO-HEXOPYRANOSYL]OXY}-1H,2H,3H,4H,6H,11H-TETRACENE-1-CARBOXYLATE, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Jansson, A, Koskiniemi, H, Mantsala, P, Niemi, J, Schneider, G.
Deposit date:2004-06-30
Release date:2004-09-14
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Crystal structure of a ternary complex of DnrK, a methyltransferase in daunorubicin biosynthesis, with bound products
J.Biol.Chem., 279, 2004
1TYO
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BU of 1tyo by Molmil
Isocitrate Dehydrogenase from the hyperthermophile Aeropyrum pernix in complex with etheno-NADP
Descriptor: ETHENO-NADP, isocitrate dehydrogenase
Authors:Karlstrom, M, Stokke, R, Steen, I.H, Birkeland, N, Ladenstein, R.
Deposit date:2004-07-08
Release date:2005-07-08
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Isocitrate dehydrogenase from the hyperthermophile Aeropyrum pernix: X-ray structure analysis of a ternary enzyme-substrate complex and thermal stability
J.Mol.Biol., 345, 2005
3K4L
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BU of 3k4l by Molmil
Pyranose 2-oxidase F454N mutant in complex with 2FG
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-deoxy-2-fluoro-beta-D-glucopyranose, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Divne, C, Tan, T.C.
Deposit date:2009-10-05
Release date:2010-05-12
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Importance of the gating segment in the substrate-recognition loop of pyranose 2-oxidase.
Febs J., 277, 2010
3JXS
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BU of 3jxs by Molmil
Crystal structure of XG34, an evolved xyloglucan binding CBM
Descriptor: ACETATE ION, CALCIUM ION, Xylanase
Authors:Divne, C, Tan, T.-C, Brumer, H, Gullfot, F.
Deposit date:2009-09-21
Release date:2009-10-27
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The crystal structure of XG-34, an evolved xyloglucan-specific carbohydrate-binding module.
Proteins, 78, 2009
5JOD
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BU of 5jod by Molmil
Structure of proplasmepsin IV from Plasmodium falciparum
Descriptor: GLYCEROL, Proplasmepsin IV
Authors:Recacha, R, Akopjana, I, Tars, K, Jaudzems, K.
Deposit date:2016-05-02
Release date:2016-08-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.528 Å)
Cite:Crystal structure of Plasmodium falciparum proplasmepsin IV: the plasticity of proplasmepsins.
Acta Crystallogr.,Sect.F, 72, 2016
5JOM
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BU of 5jom by Molmil
X-ray structure of CO-bound sperm whale myoglobin using a fixed target crystallography chip
Descriptor: CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Oghbaey, S, Sarracini, A, Ginn, H.M, Pare-Labrosse, O, Kuo, A, Marx, A, Epp, S.W, Sherrell, D.A, Eger, B.T, Zhong, Y, Loch, R, Mariani, V, Alonso-Mori, R, Nelson, S, Lemke, H.T, Owen, R.L, Pearson, A.R, Stuart, D.I, Ernst, O.P, Mueller-Werkmeister, H.M, Miller, R.J.D.
Deposit date:2016-05-02
Release date:2016-08-17
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Fixed target combined with spectral mapping: approaching 100% hit rates for serial crystallography.
Acta Crystallogr D Struct Biol, 72, 2016
5JTU
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BU of 5jtu by Molmil
Crystal structure of GPb in complex with 8b
Descriptor: (1S)-1,5-anhydro-1-[5-(naphthalen-2-yl)-1H-imidazol-2-yl]-D-glucitol, DIMETHYL SULFOXIDE, Glycogen phosphorylase, ...
Authors:Kantsadi, A.L, Stravodimos, G.A, Chatzileontiadou, D.S.M, Leonidas, D.D.
Deposit date:2016-05-09
Release date:2016-08-24
Last modified:2025-04-09
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Synthetic, enzyme kinetic, and protein crystallographic studies of C-beta-d-glucopyranosyl pyrroles and imidazoles reveal and explain low nanomolar inhibition of human liver glycogen phosphorylase.
Eur.J.Med.Chem., 123, 2016
5JTT
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BU of 5jtt by Molmil
Crystal structure of GPb in complex with 8a
Descriptor: (1S)-1,5-anhydro-1-(5-phenyl-1H-imidazol-2-yl)-D-glucitol, DIMETHYL SULFOXIDE, Glycogen phosphorylase, ...
Authors:Kantsadi, A.L, Stravodimos, G.A, Chatzileontiadou, D.S.M, Leonidas, D.D.
Deposit date:2016-05-09
Release date:2016-08-24
Last modified:2025-04-09
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Synthetic, enzyme kinetic, and protein crystallographic studies of C-beta-d-glucopyranosyl pyrroles and imidazoles reveal and explain low nanomolar inhibition of human liver glycogen phosphorylase.
Eur.J.Med.Chem., 123, 2016
5K59
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BU of 5k59 by Molmil
Crystal structure of LukGH from Staphylococcus aureus in complex with a neutralising antibody
Descriptor: CHLORIDE ION, Fab heavy chain, Fab light chain, ...
Authors:Welin, M, Logan, D.T, Badarau, A, Mirkina, I, Zauner, G, Dolezilkova, I, Nagy, E.
Deposit date:2016-05-23
Release date:2016-08-10
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:Context matters: The importance of dimerization-induced conformation of the LukGH leukocidin of Staphylococcus aureus for the generation of neutralizing antibodies.
Mabs, 8, 2016
5K06
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BU of 5k06 by Molmil
Recombinant bovine beta-lactoglobulin with uncleaved N-terminal methionine (rBlgB)
Descriptor: Beta-lactoglobulin, GLYCEROL, MYRISTIC ACID, ...
Authors:Loch, J.I, Bonarek, P, Tworzydlo, M, Polit, A, Hawro, B, Lach, A, Ludwin, E, Lewinski, K.
Deposit date:2016-05-17
Release date:2016-07-20
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Engineered beta-Lactoglobulin Produced in E. coli: Purification, Biophysical and Structural Characterisation.
Mol Biotechnol., 58, 2016
4UR4
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BU of 4ur4 by Molmil
Structure of the type III fish antifreeze protein from Zoarces viviparus ZvAFP13
Descriptor: ANTIFREEZE PROTEIN 13
Authors:Wilkens, C, Poulsen, J.-C.N, Ramloev, H, Lo Leggio, L.
Deposit date:2014-06-26
Release date:2014-07-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Purification, Crystal Structure Determination and Functional Characterization of Type III Antifreeze Proteins from the European Eelpout Zoarces Viviparus.
Cryobiology, 69, 2014
4UWT
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BU of 4uwt by Molmil
Hypocrea jecorina Cel7A E212Q mutant in complex with p-nitrophenyl cellobioside
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CELLOBIOHYDROLASE CEL7A, COBALT (II) ION, ...
Authors:Nutt, A, Momeni, M.H, Johansson, G, Stahlberg, J.
Deposit date:2014-08-14
Release date:2015-08-26
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Enzyme kinetics by GH7 cellobiohydrolases on chromogenic substrates is dictated by non-productive binding: insights from crystal structures and MD simulation.
Febs J., 2022
4UR6
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BU of 4ur6 by Molmil
Structure of the type III fish antifreeze protein from Zoarces viviparus ZvAFP6
Descriptor: SULFATE ION, TYPE III ANTIFREEZE PROTEIN 6
Authors:Wilkens, C, Poulsen, J.-C.N, Ramloev, H, Lo Leggio, L.
Deposit date:2014-06-26
Release date:2014-07-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Purification, Crystal Structure Determination and Functional Characterization of Type III Antifreeze Proteins from the European Eelpout Zoarces Viviparus.
Cryobiology, 69, 2014
8A3A
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BU of 8a3a by Molmil
MTH1 in complex with TH013074
Descriptor: 4-(4-methylphenyl)-1~{H}-quinazolin-2-one, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION
Authors:Liu, H, Scaletti, E, Stenmark, P.
Deposit date:2022-06-07
Release date:2023-09-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:MTH1 in complex with TH013074
To Be Published
8A34
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MTH1 in complex with TH013071
Descriptor: 5-(2-phenylphenyl)-1H-pyrimidine-2,4-dione, 7,8-dihydro-8-oxoguanine triphosphatase, ACETATE ION, ...
Authors:Liu, H, Scaletti, E, Stenmark, P.
Deposit date:2022-06-07
Release date:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:MTH1 in complex with TH013071
To Be Published
8AAV
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BU of 8aav by Molmil
Human heavy chain ferritin with introduced Cys residues modified with C10 ligand
Descriptor: 2-bromanyl-N-decyl-ethanamide, FE (III) ION, Ferritin heavy chain, ...
Authors:Boehler, H, Beck, T.
Deposit date:2022-07-03
Release date:2024-03-20
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Assembly of chemically modified protein nanocages into 3D materials for the adsorption of uremic toxins.
J Mater Chem B, 11, 2022

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