3V50
 
 | | Complex of SHV S130G mutant beta-lactamase complexed to SA2-13 | | Descriptor: | (3R)-4-[(4-CARBOXYBUTANOYL)OXY]-N-[(1E)-3-OXOPROP-1-EN-1-YL]-3-SULFINO-D-VALINE, Beta-lactamase, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE | | Authors: | Wei, K, van den Akker, F. | | Deposit date: | 2011-12-15 | | Release date: | 2012-08-08 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | The importance of the trans-enamine intermediate as a beta-lactamase inhibition strategy probed in inhibitor-resistant SHV beta-lactamase variants.
Chemmedchem, 7, 2012
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3UTF
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3UTG
 | | Crystal structure of Aspergillus fumigatus UDP galactopyranose mutase complexed with UDP in reduced state | | Descriptor: | DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, SULFATE ION, UDP-galactopyranose mutase, ... | | Authors: | Dhatwalia, R, Singh, H, Tanner, J.J. | | Deposit date: | 2011-11-25 | | Release date: | 2012-02-08 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Crystal Structures and Small-angle X-ray Scattering Analysis of UDP-galactopyranose Mutase from the Pathogenic Fungus Aspergillus fumigatus.
J.Biol.Chem., 287, 2012
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3UXD
 | | Designed protein KE59 R1 7/10H with dichlorobenzotriazole (DBT) | | Descriptor: | 5,7-dichloro-1H-benzotriazole, Kemp eliminase KE59 R1 7/10H, PHOSPHATE ION | | Authors: | Khersonsky, O, Kiss, G, Roethlisberger, D, Dym, O, Albeck, S, Houk, K.N, Baker, D, Tawfik, D.S, Israel Structural Proteomics Center (ISPC) | | Deposit date: | 2011-12-05 | | Release date: | 2012-06-06 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Bridging the gaps in design methodologies by evolutionary optimization of the stability and proficiency of designed Kemp eliminase KE59.
Proc.Natl.Acad.Sci.USA, 109, 2012
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6FR2
 | | Soluble epoxide hydrolase in complex with LK864 | | Descriptor: | 1-[(4~{S})-9-propan-2-ylsulfonyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-3-[[4-(trifluoromethyloxy)phenyl]methyl]urea, Bifunctional epoxide hydrolase 2, MAGNESIUM ION | | Authors: | Kramer, J.S, Pogoryelov, D, Krasavin, M, Proschak, E. | | Deposit date: | 2018-02-15 | | Release date: | 2018-09-12 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.262 Å) | | Cite: | Discovery of polar spirocyclic orally bioavailable urea inhibitors of soluble epoxide hydrolase.
Bioorg. Chem., 80, 2018
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3PFG
 | | X-Ray crystal structure the N,N-dimethyltransferase TylM1 from Streptomyces fradiae in complex with SAM and dTDP-phenol | | Descriptor: | 1,2-ETHANEDIOL, 5'-O-[(S)-hydroxy{[(S)-hydroxy(phenoxy)phosphoryl]oxy}phosphoryl]thymidine, N-methyltransferase, ... | | Authors: | Carney, A.E, Holden, H.M. | | Deposit date: | 2010-10-28 | | Release date: | 2010-12-15 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.349 Å) | | Cite: | Molecular Architecture of TylM1 from Streptomyces fradiae: An N,N-Dimethyltransferase Involved in the Production of dTDP-d-mycaminose .
Biochemistry, 50, 2011
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3WW8
 | | Crystal structure of the computationally designed Pizza3 protein | | Descriptor: | GLYCEROL, Pizza3 protein, SULFATE ION | | Authors: | Voet, A.R.D, Noguchi, H, Addy, C, Simoncini, D, Terada, D, Unzai, S, Park, S.Y, Zhang, K.Y.J, Tame, J.R.H. | | Deposit date: | 2014-06-17 | | Release date: | 2014-10-08 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.402 Å) | | Cite: | Computational design of a self-assembling symmetrical beta-propeller protein.
Proc.Natl.Acad.Sci.USA, 111, 2014
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3PFH
 | | X-Ray crystal structure the N,N-dimethyltransferase TylM1 from Streptomyces fradiae in complex with SAH and dTDP-Quip3N | | Descriptor: | 1,2-ETHANEDIOL, N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE, ... | | Authors: | Carney, A.E, Holden, H.M. | | Deposit date: | 2010-10-28 | | Release date: | 2010-12-15 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.792 Å) | | Cite: | Molecular Architecture of TylM1 from Streptomyces fradiae: An N,N-Dimethyltransferase Involved in the Production of dTDP-d-mycaminose .
Biochemistry, 50, 2011
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3NAL
 | | SR Ca(2+)-ATPase in the HnE2 state complexed with the Thapsigargin derivative DTB | | Descriptor: | (3S,3aR,4S,6S,6aS,8R,9bS)-6-(acetyloxy)-3,3a-dihydroxy-3,6,9-trimethyl-8-{[(2Z)-2-methylbut-2-enoyl]oxy}-2-oxo-2,3,3a,4,5,6,6a,7,8,9b-decahydroazuleno[4,5-b]furan-4-yl dodecanoate, MAGNESIUM ION, POTASSIUM ION, ... | | Authors: | Winther, A.M.L, Sonntag, Y, Olesen, C, Moller, J.V, Nissen, P. | | Deposit date: | 2010-06-02 | | Release date: | 2010-06-30 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Critical roles of hydrophobicity and orientation of side chains for inactivation of sarcoplasmic reticulum Ca2+-ATPase with thapsigargin and thapsigargin analogs
J.Biol.Chem., 285, 2010
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3NHN
 | | Crystal structure of the SRC-family kinase HCK SH3-SH2-linker regulatory region | | Descriptor: | Tyrosine-protein kinase HCK | | Authors: | Alvarado, J.J, Betts, L, Moroco, J.A, Smithgall, T.E, Yeh, J.I. | | Deposit date: | 2010-06-14 | | Release date: | 2010-09-01 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Crystal Structure of the Src Family Kinase Hck SH3-SH2 Linker Regulatory Region Supports an SH3-dominant Activation Mechanism.
J.Biol.Chem., 285, 2010
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3UTH
 | | Crystal structure of Aspergillus fumigatus UDP galactopyranose mutase complexed with substrate UDP-Galp in reduced state | | Descriptor: | DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, GALACTOSE-URIDINE-5'-DIPHOSPHATE, SULFATE ION, ... | | Authors: | Dhatwalia, R, Singh, H, Tanner, J.J. | | Deposit date: | 2011-11-25 | | Release date: | 2012-02-08 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Crystal Structures and Small-angle X-ray Scattering Analysis of UDP-galactopyranose Mutase from the Pathogenic Fungus Aspergillus fumigatus.
J.Biol.Chem., 287, 2012
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3UPR
 | | HLA-B*57:01 complexed to pep-V and Abacavir | | Descriptor: | Beta-2-microglobulin, CHLORIDE ION, HLA class I histocompatibility antigen, ... | | Authors: | Pompeu, Y.A, Ostrov, D.A. | | Deposit date: | 2011-11-18 | | Release date: | 2012-06-13 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.999 Å) | | Cite: | Drug hypersensitivity caused by alteration of the MHC-presented self-peptide repertoire.
Proc.Natl.Acad.Sci.USA, 109, 2012
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3UY8
 | | Designed protein KE59 R5_11/5F | | Descriptor: | Kemp eliminase KE59 R5_11/5F, SULFATE ION | | Authors: | Khersonsky, O, Kiss, G, Roethlisberger, D, Dym, O, Albeck, S, Houk, K.N, Baker, D, Tawfik, D.S, Israel Structural Proteomics Center (ISPC) | | Deposit date: | 2011-12-06 | | Release date: | 2012-06-06 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | Bridging the gaps in design methodologies by evolutionary optimization of the stability and proficiency of designed Kemp eliminase KE59.
Proc.Natl.Acad.Sci.USA, 109, 2012
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3V5M
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3PX2
 | | Structure of TylM1 from Streptomyces fradiae H123N mutant in complex with SAH and dTDP-Quip3N | | Descriptor: | 1,2-ETHANEDIOL, N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE, ... | | Authors: | Holden, H.M, Carney, A.E. | | Deposit date: | 2010-12-09 | | Release date: | 2010-12-22 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Molecular Architecture of TylM1 from Streptomyces fradiae: An N,N-Dimethyltransferase Involved in the Production of dTDP-d-mycaminose .
Biochemistry, 50, 2011
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3N30
 | | Crystal Structure of cubic Zn3-hUb (human ubiquitin) adduct | | Descriptor: | Ubiquitin, ZINC ION | | Authors: | Siliqi, D, Caliandro, R, Arnesano, F, Natile, G, Falini, G, Fermani, S, Belviso, B.D. | | Deposit date: | 2010-05-19 | | Release date: | 2011-01-12 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystallographic analysis of metal-ion binding to human ubiquitin.
Chemistry, 17, 2011
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3PI6
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4AQN
 | | Crystal structure of pesticin from Y. pestis | | Descriptor: | MAGNESIUM ION, PESTICIN | | Authors: | Zeth, K, Albrecht, R. | | Deposit date: | 2012-04-19 | | Release date: | 2012-05-02 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Structure and Mechanistic Studies of Pesticin, a Bacterial Homolog of Phage Lysozymes.
J.Biol.Chem., 287, 2012
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3Q15
 | | Crystal Structure of RapH complexed with Spo0F | | Descriptor: | GLYCEROL, MAGNESIUM ION, Response regulator aspartate phosphatase H, ... | | Authors: | Parashar, V, Neiditch, M.B. | | Deposit date: | 2010-12-16 | | Release date: | 2011-02-23 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.192 Å) | | Cite: | Structural basis of response regulator dephosphorylation by Rap phosphatases.
Plos Biol., 9, 2011
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3NEQ
 | | Crystal structure of the chimeric muscarinic toxin MT7 with loop 3 from MT1 | | Descriptor: | SULFATE ION, Three-finger muscarinic toxin 7 | | Authors: | Stura, E.A, Servent, D, Menez, R, Mournier, G, Menez, A, Fruchart-Gaillard, C. | | Deposit date: | 2010-06-09 | | Release date: | 2011-08-24 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Engineering of three-finger fold toxins creates ligands with original pharmacological profiles for muscarinic and adrenergic receptors.
Plos One, 7, 2012
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3NAN
 | | SR Ca(2+)-ATPase in the HnE2 state complexed with a Thapsigargin derivative Boc-(phi)Tg | | Descriptor: | (3S,3aR,4S,6S,6aR,7S,8S,9R,9aS,9bS)-6-(acetyloxy)-4-{[4-(3-{6-[(tert-butoxycarbonyl)amino]hexyl}-4-hydroxyphenyl)butanoyl]oxy}-3,3a-dihydroxy-3,6,9-trimethyl-8-{[(2Z)-2-methylbut-2-enoyl]oxy}-2-oxododecahydroazuleno[4,5-b]furan-7-yl octanoate, MAGNESIUM ION, PHOSPHATIDYLETHANOLAMINE, ... | | Authors: | Winther, A.M.L, Sonntag, Y, Olesen, C, Moller, J.V, Nissen, P. | | Deposit date: | 2010-06-02 | | Release date: | 2010-06-30 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Critical roles of hydrophobicity and orientation of side chains for inactivation of sarcoplasmic reticulum Ca2+-ATPase with thapsigargin and thapsigargin analogs
J.Biol.Chem., 285, 2010
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3OJW
 | | Disulfide crosslinked cytochrome P450 reductase inactive | | Descriptor: | FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, NADPH-cytochrome P450 reductase | | Authors: | Xia, C, Hamdane, D, Shen, A, Choi, V, Kasper, C, Zhang, H, Im, S.-C, Waskell, L, Kim, J.-J.P. | | Deposit date: | 2010-08-23 | | Release date: | 2011-02-23 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Conformational Changes of NADPH-Cytochrome P450 Oxidoreductase Are Essential for Catalysis and Cofactor Binding.
J.Biol.Chem., 286, 2011
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3WW9
 | | Crystal structure of the computationally designed Pizza6 protein | | Descriptor: | GLYCEROL, SULFATE ION, pizza6 protein | | Authors: | Voet, A.R.D, Noguchi, H, Addy, C, Simoncini, D, Terada, D, Unzai, S, Park, S.Y, Zhang, K.Y.J, Tame, J.R.H. | | Deposit date: | 2014-06-17 | | Release date: | 2014-10-08 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.33 Å) | | Cite: | Computational design of a self-assembling symmetrical beta-propeller protein.
Proc.Natl.Acad.Sci.USA, 111, 2014
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3Q1X
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4AOQ
 | | Cationic trypsin in complex with mutated Spinacia oleracea trypsin inhibitor III (SOTI-III) (F14A) | | Descriptor: | CALCIUM ION, CATIONIC TRYPSIN, PENTAETHYLENE GLYCOL, ... | | Authors: | Schmelz, S, Glotzbach, B, Reinwarth, M, Christmann, A, Kolmar, H, Heinz, D.W. | | Deposit date: | 2012-03-29 | | Release date: | 2013-01-09 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural Characterization of Spinacia Oleracea Trypsin Inhibitor III (Soti-III)
Acta Crystallogr.,Sect.D, 69, 2013
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