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1UO9
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BU of 1uo9 by Molmil
Deacetoxycephalosporin C synthase complexed with succinate
Descriptor: DEACETOXYCEPHALOSPORIN C SYNTHETASE, FE (II) ION, SUCCINIC ACID
Authors:Valegard, K, Terwisscha Van scheltinga, A.C, Dubus, A, Oster, L.M, Rhangino, G, Hajdu, J, Andersson, I.
Deposit date:2003-09-16
Release date:2004-01-08
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:The Structural Basis of Cephalosporin Formation in a Mononuclear Ferrous Enzyme
Nat.Struct.Mol.Biol., 11, 2004
1UOB
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BU of 1uob by Molmil
Deacetoxycephalosporin C synthase complexed with 2-oxoglutarate and penicillin G
Descriptor: 2-OXOGLUTARIC ACID, DEACETOXYCEPHALOSPORIN C SYNTHETASE, FE (II) ION, ...
Authors:Valegard, K, Terwisscha van Scheltinga, A.C, Dubus, A, Oster, L.M, Rhangino, G, Hajdu, J, Andersson, I.
Deposit date:2003-09-16
Release date:2004-01-09
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The Structural Basis of Cephalosporin Formation in a Mononuclear Ferrous Enzyme
Nat.Struct.Mol.Biol., 11, 2004
1UNB
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BU of 1unb by Molmil
Deacetoxycephalosporin C synthase complexed with 2-oxoglutarate and ampicillin
Descriptor: (2S,6R)-6-{[(2R)-2-AMINO-2-PHENYLETHANOYL]AMINO}-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID, 2-OXOGLUTARIC ACID, DEACETOXYCEPHALOSPORIN C SYNTHETASE, ...
Authors:Valegard, K, Terwisscha van Scheltinga, A.C, Dubus, A, Oster, L.M, Rhangino, G, Hajdu, J, Andersson, I.
Deposit date:2003-09-09
Release date:2004-01-09
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:The Structural Basis of Cephalosporin Formation in a Mononuclear Ferrous Enzyme
Nat.Struct.Mol.Biol., 11, 2004
1UOG
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BU of 1uog by Molmil
Deacetoxycephalosporin C synthase complexed with deacetoxycephalosporin C
Descriptor: DEACETOXYCEPHALOSPORIN C SYNTHETASE, DEACETOXYCEPHALOSPORIN-C, FE (II) ION
Authors:Valegard, K, Terwisscha van Scheltinga, A.C, Dubus, A, Oster, L.M, Rhangino, G, Hajdu, J, Andersson, I.
Deposit date:2003-09-17
Release date:2004-01-09
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The Structural Basis of Cephalosporin Formation in a Mononuclear Ferrous Enzyme
Nat.Struct.Mol.Biol., 11, 2004
6ITX
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BU of 6itx by Molmil
Structure of the C-terminal head domain of the avian adenovirus EDSV fiber
Descriptor: Fiber protein, GLUTAMINE, SULFATE ION
Authors:Wei, Q, Song, Y.
Deposit date:2018-11-26
Release date:2019-10-09
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Unravelling the receptor binding property of egg drop syndrome virus (EDSV) from the crystal structure of EDSV fiber head.
Int.J.Biol.Macromol., 139, 2019
6JDS
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BU of 6jds by Molmil
Crystal structure of truncated PRRSV nsp10 (helicase)
Descriptor: PP1b, ZINC ION
Authors:Tang, C, Chen, Z.
Deposit date:2019-02-02
Release date:2020-02-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Helicase of Type 2 Porcine Reproductive and Respiratory Syndrome Virus Strain HV Reveals a Unique Structure.
Viruses, 12, 2020
6JDU
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BU of 6jdu by Molmil
Crystal structure of PRRSV nsp10 (helicase)
Descriptor: CALCIUM ION, PP1b, ZINC ION
Authors:Tang, C, Chen, Z.
Deposit date:2019-02-02
Release date:2020-02-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Helicase of Type 2 Porcine Reproductive and Respiratory Syndrome Virus Strain HV Reveals a Unique Structure.
Viruses, 12, 2020
2MJV
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BU of 2mjv by Molmil
Solution structures of second bromodomain of Brd4 with di-acetylated Twist peptide
Descriptor: Bromodomain-containing protein 4, Twist-related protein 1
Authors:Zeng, L, Zhou, M.
Deposit date:2014-01-16
Release date:2014-03-19
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:Disrupting the Interaction of BRD4 with Diacetylated Twist Suppresses Tumorigenesis in Basal-like Breast Cancer.
Cancer Cell, 25, 2014
6JDR
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BU of 6jdr by Molmil
Crystal structure of methylated PRRSV nsp10 (helicase)
Descriptor: PP1b, SULFATE ION, ZINC ION
Authors:Deng, Z, Tang, C, Chen, Z.
Deposit date:2019-02-02
Release date:2020-02-05
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Helicase of Type 2 Porcine Reproductive and Respiratory Syndrome Virus Strain HV Reveals a Unique Structure.
Viruses, 12, 2020
4K18
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BU of 4k18 by Molmil
Structure of PIM-1 kinase bound to 5-(4-cyanobenzyl)-N-(4-fluorophenyl)-7-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxamide
Descriptor: 5-(4-cyanobenzyl)-N-(4-fluorophenyl)-7-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxamide, PHOSPHATE ION, Serine/threonine-protein kinase pim-1
Authors:Murray, J.M, Wallweber, H, Steffek, M.
Deposit date:2013-04-04
Release date:2013-05-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.051 Å)
Cite:Discovery of novel pyrazolo[1,5-a]pyrimidines as potent pan-Pim inhibitors by structure- and property-based drug design.
Bioorg.Med.Chem.Lett., 23, 2013
4K0Y
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BU of 4k0y by Molmil
Structure of PIM-1 kinase bound to N-(4-fluorophenyl)-7-hydroxy-5-(piperidin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
Descriptor: N-(4-fluorophenyl)-7-hydroxy-5-(piperidin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide, PHOSPHATE ION, Serine/threonine-protein kinase pim-1
Authors:Murray, J.M, Wallweber, H, Steffek, M.
Deposit date:2013-04-04
Release date:2013-05-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.954 Å)
Cite:Discovery of novel pyrazolo[1,5-a]pyrimidines as potent pan-Pim inhibitors by structure- and property-based drug design.
Bioorg.Med.Chem.Lett., 23, 2013
3O2G
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BU of 3o2g by Molmil
Crystal Structure of Human gamma-butyrobetaine,2-oxoglutarate dioxygenase 1 (BBOX1)
Descriptor: 1,2-ETHANEDIOL, 3-CARBOXY-N,N,N-TRIMETHYLPROPAN-1-AMINIUM, Gamma-butyrobetaine dioxygenase, ...
Authors:Krojer, T, Kochan, G, McDonough, M.A, von Delft, F, Leung, I.K.H, Henry, L, Claridge, T.D.W, Pilka, E, Ugochukwu, E, Muniz, J, Filippakopoulos, P, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Kavanagh, K.L, Schofield, C.J, Oppermann, U, Structural Genomics Consortium (SGC)
Deposit date:2010-07-22
Release date:2010-09-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Structural and mechanistic studies on gamma-butyrobetaine hydroxylase.
Chem. Biol., 17, 2010
5EI3
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BU of 5ei3 by Molmil
Co-crystal structure of eIF4E with nucleotide mimetic inhibitor.
Descriptor: Eukaryotic translation initiation factor 4 gamma, Eukaryotic translation initiation factor 4E, SULFATE ION, ...
Authors:Nowicki, M.W, Walkinshaw, M.D, Fischer, P.M.
Deposit date:2015-10-29
Release date:2016-09-07
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Design of nucleotide-mimetic and non-nucleotide inhibitors of the translation initiation factor eIF4E: Synthesis, structural and functional characterisation.
Eur.J.Med.Chem., 124, 2016
5EKV
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BU of 5ekv by Molmil
Co-crystal structure of eIF4E with nucleotide mimetic inhibitor.
Descriptor: 3-[[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-7-methyl-6-oxidanylidene-1~{H}-purin-7-ium-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylamino]-4-oxidanyl-cyclobut-3-ene-1,2-dione, Eukaryotic translation initiation factor 4E, Eukaryotic translation initiation factor 4E-binding protein 1
Authors:Nowicki, M.W, Walkinshaw, M.D, Fischer, P.M.
Deposit date:2015-11-04
Release date:2016-09-07
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.61 Å)
Cite:Design of nucleotide-mimetic and non-nucleotide inhibitors of the translation initiation factor eIF4E: Synthesis, structural and functional characterisation.
Eur.J.Med.Chem., 124, 2016
5EHC
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BU of 5ehc by Molmil
Co-crystal structure of eIF4E with nucleotide mimetic inhibitor.
Descriptor: 3-[[(2~{R},3~{S},4~{R},5~{R})-5-[2-azanyl-7-[(3-chlorophenyl)methyl]-6-oxidanylidene-1~{H}-purin-7-ium-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylamino]-4-oxidanyl-cyclobut-3-ene-1,2-dione, Eukaryotic translation initiation factor 4 gamma 1, Eukaryotic translation initiation factor 4E
Authors:Nowicki, M.W, Walkinshaw, M.D, Fischer, P.M.
Deposit date:2015-10-28
Release date:2016-09-07
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Design of nucleotide-mimetic and non-nucleotide inhibitors of the translation initiation factor eIF4E: Synthesis, structural and functional characterisation.
Eur.J.Med.Chem., 124, 2016
1Z3W
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BU of 1z3w by Molmil
Structure of Phanerochaete chrysosporium cellobiohydrolase Cel7D (CBH58) in complex with cellobioimidazole
Descriptor: (5R,6R,7R,8S)-7,8-dihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl beta-D-glucopyranoside, 2-acetamido-2-deoxy-beta-D-glucopyranose, cellulase
Authors:Ubhayasekera, W, Vasella, A, Stahlberg, J, Mowbray, S.L.
Deposit date:2005-03-14
Release date:2005-04-26
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structures of Phanerochaete chrysosporium Cel7D in complex with product and inhibitors
Febs J., 272, 2005
1Z3T
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BU of 1z3t by Molmil
Structure of Phanerochaete chrysosporium cellobiohydrolase Cel7D (CBH58) in complex with cellobiose
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose, cellulase
Authors:Ubhayasekera, W, Stahlberg, J, Mowbray, S.L.
Deposit date:2005-03-14
Release date:2005-04-26
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structures of Phanerochaete chrysosporium Cel7D in complex with product and inhibitors
Febs J., 272, 2005
3FAA
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BU of 3faa by Molmil
Crystal structure of TGFbRI complexed with a 2-aminoimidazole inhibitor
Descriptor: N-[4-(5-fluoro-6-methylpyridin-2-yl)-5-quinoxalin-6-yl-1H-imidazol-2-yl]acetamide, PHOSPHATE ION, TGF-beta receptor type-1
Authors:Boriack-Sjodin, P.A, Fitch, C.
Deposit date:2008-11-16
Release date:2009-01-27
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:2-Aminoimidazoles inhibitors of TGF-beta receptor 1.
Bioorg.Med.Chem.Lett., 19, 2009
3HA4
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BU of 3ha4 by Molmil
Crystal structure of the type one membrane protein MIX1 from Leishmania
Descriptor: CARBONATE ION, MIX1
Authors:Gorman, M.A, Walsh, P.J, Parker, M.W.
Deposit date:2009-05-01
Release date:2010-05-05
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of the Leishmania major MIX protein: A scaffold protein that mediates protein-protein interactions.
Protein Sci., 20, 2011
2XDV
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BU of 2xdv by Molmil
Crystal Structure of the Catalytic Domain of FLJ14393
Descriptor: 1,2-ETHANEDIOL, CADMIUM ION, MANGANESE (II) ION, ...
Authors:Krojer, T, Muniz, J.R.C, Ng, S.S, Pilka, E, Guo, K, Pike, A.C.W, Filippakopoulos, P, Knapp, S, Kavanagh, K.L, Gileadi, O, Bunkoczi, G, Yue, W.W, Niesen, F, Sobott, F, Fedorov, O, Savitsky, P, Kochan, G, Daniel, M, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Oppermann, U.
Deposit date:2010-05-07
Release date:2010-05-26
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Ribosomal oxygenases are structurally conserved from prokaryotes to humans.
Nature, 510, 2014
6DXO
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BU of 6dxo by Molmil
1.8 A structure of RsbN-BldN complex.
Descriptor: BldN, RNA polymerase ECF-subfamily sigma factor
Authors:Schumacher, M.A.
Deposit date:2018-06-29
Release date:2018-07-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The crystal structure of the RsbN-sigma BldN complex from Streptomyces venezuelae defines a new structural class of anti-sigma factor.
Nucleic Acids Res., 46, 2018
5EIR
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BU of 5eir by Molmil
Co-crystal structure of eIF4E with nucleotide mimetic inhibitor.
Descriptor: Eukaryotic translation initiation factor 4 gamma 1, Eukaryotic translation initiation factor 4E, SULFATE ION, ...
Authors:Nowicki, M.W, Walkinshaw, M.D, Fischer, P.M.
Deposit date:2015-10-30
Release date:2016-09-07
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Design of nucleotide-mimetic and non-nucleotide inhibitors of the translation initiation factor eIF4E: Synthesis, structural and functional characterisation.
Eur.J.Med.Chem., 124, 2016
2JFD
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BU of 2jfd by Molmil
Structure of the MAT domain of human FAS
Descriptor: FATTY ACID SYNTHASE
Authors:Bunkoczi, G, Kavanagh, K, Hozjan, V, Rojkova, A, Wu, X, Arrowsmith, C.H, Edwards, A, Sundstrom, M, Weigelt, J, Smith, S, Oppermann, U.
Deposit date:2007-01-31
Release date:2007-02-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Structural basis for different specificities of acyltransferases associated with the human cytosolic and mitochondrial fatty acid synthases.
Chem. Biol., 16, 2009
4K1B
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BU of 4k1b by Molmil
Structure of PIM-1 kinase bound to N-(5-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-((((3R,4R)-3-fluoropiperidin-4-yl)methyl)amino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
Descriptor: N-[5-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-({[(3R,4R)-3-fluoropiperidin-4-yl]methyl}amino)pyrazolo[1,5-a]pyrimidine-3-carboxamide, PHOSPHATE ION, Serine/threonine-protein kinase pim-1
Authors:Murray, J.M, Wallweber, H, Steffek, M.
Deposit date:2013-04-04
Release date:2013-05-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.082 Å)
Cite:Discovery of novel pyrazolo[1,5-a]pyrimidines as potent pan-Pim inhibitors by structure- and property-based drug design.
Bioorg.Med.Chem.Lett., 23, 2013
1GFW
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BU of 1gfw by Molmil
THE 2.8 ANGSTROM CRYSTAL STRUCTURE OF CASPASE-3 (APOPAIN OR CPP32)IN COMPLEX WITH AN ISATIN SULFONAMIDE INHIBITOR.
Descriptor: 1-METHYL-5-(2-PHENOXYMETHYL-PYRROLIDINE-1-SULFONYL)-1H-INDOLE-2,3-DIONE, CASPASE-3 (APOPAIN, P10), ...
Authors:Concha, N.O, Janson, C.A.
Deposit date:2000-06-16
Release date:2000-06-23
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Potent and selective nonpeptide inhibitors of caspases 3 and 7 inhibit apoptosis and maintain cell functionality.
J.Biol.Chem., 275, 2000

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