2OQ7
 
 | | The crystal structure of JMJD2A complexed with Ni and N-oxalylglycine | | Descriptor: | JmjC domain-containing histone demethylation protein 3A, N-OXALYLGLYCINE, NICKEL (II) ION, ... | | Authors: | Kavanagh, K.L, Ng, S.S, Pilka, E, McDonough, M.A, Savitsky, P, von Delft, F, Arrowsmith, C.H, Weigelt, J, Edwards, A, Sundstrom, M, Schofield, C.J, Oppermann, U, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-01-31 | | Release date: | 2007-03-13 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Crystal structures of histone demethylase JMJD2A reveal basis for substrate specificity.
Nature, 448, 2007
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1LBS
 | | LIPASE (E.C.3.1.1.3) (TRIACYLGLYCEROL HYDROLASE) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, LIPASE B, N-HEXYLPHOSPHONATE ETHYL ESTER | | Authors: | Uppenberg, J, Jones, T.A. | | Deposit date: | 1995-07-11 | | Release date: | 1995-10-15 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystallographic and molecular-modeling studies of lipase B from Candida antarctica reveal a stereospecificity pocket for secondary alcohols.
Biochemistry, 34, 1995
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1LDA
 | | CRYSTAL STRUCTURE OF THE E. COLI GLYCEROL FACILITATOR (GLPF) WITHOUT SUBSTRATE GLYCEROL | | Descriptor: | Glycerol uptake facilitator protein, octyl beta-D-glucopyranoside | | Authors: | Nollert, P, Miercke, L.J.W, O'Connell, J, Stroud, R.M. | | Deposit date: | 2002-04-08 | | Release date: | 2002-05-08 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Control of the selectivity of the aquaporin water channel family by global orientational tuning.
Science, 296, 2002
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1LDI
 | | CRYSTAL STRUCTURE OF THE E. COLI GLYCEROL FACILITATOR (GLPF) WITHOUT SUBSTRATE GLYCEROL | | Descriptor: | Glycerol uptake facilitator protein, octyl beta-D-glucopyranoside | | Authors: | Nollert, P, Miercke, L.J.W, O'Connell, J, Stroud, R.M. | | Deposit date: | 2002-04-08 | | Release date: | 2002-05-08 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Control of the selectivity of the aquaporin water channel family by global orientational tuning.
Science, 296, 2002
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4F7N
 | | Crystal structure of human CDK8/CYCC in complex with compound 11 (1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-(5-hydroxypentyl)urea) | | Descriptor: | 1,2-ETHANEDIOL, 1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-(5-hydroxypentyl)urea, Cyclin-C, ... | | Authors: | Schneider, E.V, Boettcher, J, Huber, R, Maskos, K. | | Deposit date: | 2012-05-16 | | Release date: | 2013-05-01 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Structure-kinetic relationship study of CDK8/CycC specific compounds.
Proc.Natl.Acad.Sci.USA, 110, 2013
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1D9Q
 | | OXIDIZED PEA FRUCTOSE-1,6-BISPHOSPHATASE FORM 1 | | Descriptor: | FRUCTOSE-1,6-BISPHOSPHATASE | | Authors: | Chiadmi, M, Navaza, A, Miginiac-Maslow, M, Jacquot, J.-P, Cherfils, J. | | Deposit date: | 1999-10-29 | | Release date: | 1999-12-03 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Redox signalling in the chloroplast: structure of oxidized pea fructose-1,6-bisphosphate phosphatase.
EMBO J., 18, 1999
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1DBZ
 | | C153S MUTANT OF PEA FRUCTOSE-1,6-BISPHOSPHATASE | | Descriptor: | FRUCTOSE-1,6-BISPHOSPHATASE | | Authors: | Chiadmi, M, Navaza, A, Miginiac-Maslow, M, Jacquot, J.P, Cherfils, J. | | Deposit date: | 1999-11-03 | | Release date: | 1999-12-03 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Redox signalling in the chloroplast: structure of oxidized pea fructose-1,6-bisphosphate phosphatase.
EMBO J., 18, 1999
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4FHJ
 | | Crystal Structure of PI3K-gamma in Complex with Imidazopyridine 2 | | Descriptor: | 3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | | Authors: | Shaffer, P.L, Tang, J, Yakowec, P. | | Deposit date: | 2012-06-06 | | Release date: | 2012-07-18 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Discovery and optimization of potent and selective imidazopyridine and imidazopyridazine mTOR inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
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1DSO
 | | CYTOCHROME C PEROXIDASE H175G MUTANT, IMIDAZOLE COMPLEX AT PH 6, ROOM TEMPERATURE. | | Descriptor: | CYTOCHROME C PEROXIDASE, IMIDAZOLE, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Hirst, J, Wilcox, S.K, Williams, P.A, McRee, D.E, Goodin, D.B. | | Deposit date: | 2000-01-07 | | Release date: | 2001-03-07 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Replacement of the axial histidine ligand with imidazole in cytochrome c peroxidase. 1. Effects on structure.
Biochemistry, 40, 2001
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4FLH
 | | Crystal structure of human PI3K-gamma in complex with AMG511 | | Descriptor: | 4-(2-[(5-fluoro-6-methoxypyridin-3-yl)amino]-5-{(1R)-1-[4-(methylsulfonyl)piperazin-1-yl]ethyl}pyridin-3-yl)-6-methyl-1,3,5-triazin-2-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | | Authors: | Whittington, D.A, Tang, J, Yakowec, P. | | Deposit date: | 2012-06-14 | | Release date: | 2012-08-29 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Selective Class I Phosphoinositide 3-Kinase Inhibitors: Optimization of a Series of Pyridyltriazines Leading to the Identification of a Clinical Candidate, AMG 511.
J.Med.Chem., 55, 2012
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2QEN
 | | The walker-type atpase paby2304 of pyrococcus abyssi | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, WALKER-TYPE ATPASE | | Authors: | Uhring, M, Bey, G, Lecompte, O, Moras, D, Poch, O, Cavarelli, J. | | Deposit date: | 2007-06-26 | | Release date: | 2008-07-01 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | The walker-type atpase paby2304 of pyrococcus abyssi
To be Published
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1LWX
 | | AZT DIPHOSPHATE BINDING TO NUCLEOSIDE DIPHOSPHATE KINASE | | Descriptor: | 3'-AZIDO-3'-DEOXYTHYMIDINE-5'-DIPHOSPHATE, MAGNESIUM ION, NUCLEOSIDE DIPHOSPHATE KINASE | | Authors: | Janin, J, Xu, Y. | | Deposit date: | 1997-04-30 | | Release date: | 1997-08-20 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | X-ray analysis of azido-thymidine diphosphate binding to nucleoside diphosphate kinase.
Proc.Natl.Acad.Sci.USA, 94, 1997
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1H1A
 | | Thermophilic beta-1,4-xylanase from Chaetomium thermophilum | | Descriptor: | CALCIUM ION, Endo-1,4-beta-xylanase, GLYCEROL, ... | | Authors: | Hakulinen, N, Rouvinen, J. | | Deposit date: | 2002-07-05 | | Release date: | 2003-07-04 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Three-Dimensional Structures of Thermophilic Beta-1,4-Xylanases from Chaetomium Thermophilum and Nonomuraea Flexuosa. Comparison of Twelve Xylanases in Relation to Their Thermal Stability.
Eur.J.Biochem., 270, 2003
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1H6G
 | | alpha-catenin M-domain | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ALPHA-1 CATENIN, CALCIUM ION, ... | | Authors: | Yang, J, Dokurno, P, Tonks, N.K, Barford, D. | | Deposit date: | 2001-06-14 | | Release date: | 2001-08-07 | | Last modified: | 2016-02-10 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal Structure of the M-Fragment of Alpha-Catenin: Implications for Modulation of Cell Adhesion.
Embo J., 20, 2001
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1HF2
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2QFZ
 | | Crystal structure of human TBC1 domain family member 22A | | Descriptor: | TBC1 domain family member 22A, UNKNOWN ATOM OR ION | | Authors: | Tong, Y, Tempel, W, Dimov, S, Dong, A, Landry, R, Arrowsmith, C.H, Edwards, A.M, Sundstrom, M, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-06-28 | | Release date: | 2007-07-10 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure of human TBC1 domain family member 22A.
To be Published
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2QNP
 | | HIV-1 Protease in complex with a iodo decorated pyrrolidine-based inhibitor | | Descriptor: | CHLORIDE ION, Gag-Pol polyprotein (Pr160Gag-Pol), N,N'-(3S,4S)-pyrrolidine-3,4-diylbis[N-(4-iodobenzyl)benzenesulfonamide] | | Authors: | Boettcher, J, Blum, A, Heine, A, Diederich, W.E, Klebe, G. | | Deposit date: | 2007-07-19 | | Release date: | 2008-04-15 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.41 Å) | | Cite: | Structure-Guided Design of C2-Symmetric HIV-1 Protease Inhibitors Based on a Pyrrolidine Scaffold.
J.Med.Chem., 51, 2008
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2R43
 | | I50V HIV-1 protease in complex with an amino decorated pyrrolidine-based inhibitor | | Descriptor: | CHLORIDE ION, GLYCEROL, N,N'-(3S,4S)-PYRROLIDINE-3,4-DIYLBIS(4-AMINO-N-BENZYLBENZENESULFONAMIDE), ... | | Authors: | Boettcher, J, Blum, A, Heine, A, Diederich, W.E, Klebe, G. | | Deposit date: | 2007-08-30 | | Release date: | 2008-09-09 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Structural and Kinetic Analysis of Pyrrolidine-Based Inhibitors of the Drug-Resistant Ile84Val Mutant of HIV-1 Protease
J.Mol.Biol., 383, 2008
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2R2Q
 | | Crystal structure of human Gamma-Aminobutyric Acid Receptor-Associated Protein-like 1 (GABARAP1), Isoform CRA_a | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Gamma-aminobutyric acid receptor-associated protein-like 1, UNKNOWN ATOM OR ION | | Authors: | Tempel, W, Paramanathan, R, Davis, T, Mujib, S, Butler-Cole, C, Arrowsmith, C.H, Edwards, A.M, Sundstrom, M, Weigelt, J, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-08-27 | | Release date: | 2007-09-04 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Crystal structure of human Gamma-Aminobutyric Acid Receptor-Associated Protein-like 1 (GABARAP1), Isoform CRA_a.
To be Published
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2QXM
 | | Crystal Structure of the Estrogen Receptor Alpha Ligand Binding Domain Complexed to Burned Meat Compound PhIP | | Descriptor: | 2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5-B]PYRIDINE, Estrogen receptor, Nuclear receptor coactivator 2 | | Authors: | Nettles, K.W, Bruning, J.B, Gil, G, Nowak, J, Sharma, S.K, Hahm, J.B, Shi, Y, Kulp, K, Hochberg, R.B, Zhou, H, Katzenellenbogen, J.A, Katzenellenbogen, B.S, Kim, Y, Joachmiak, A, Greene, G.L. | | Deposit date: | 2007-08-12 | | Release date: | 2008-03-18 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | NFkappaB selectivity of estrogen receptor ligands revealed by comparative crystallographic analyses
Nat.Chem.Biol., 4, 2008
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2QGX
 | | Ubiquitin-conjugating enzyme E2Q | | Descriptor: | Ubiquitin-conjugating enzyme E2 Q1 | | Authors: | Neculai, D, Avvakumov, G.V, Xue, S, Walker, J.R, Mackenzie, F, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Sicheri, F, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-06-29 | | Release date: | 2008-03-18 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.56 Å) | | Cite: | A human ubiquitin conjugating enzyme (E2)-HECT E3 ligase structure-function screen.
Mol Cell Proteomics, 11, 2012
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2QNQ
 | | HIV-1 Protease in complex with a chloro decorated pyrrolidine-based inhibitor | | Descriptor: | CHLORIDE ION, Gag-Pol polyprotein (Pr160Gag-Pol), N,N'-(3S,4S)-pyrrolidine-3,4-diylbis(N-benzyl-2-chlorobenzenesulfonamide) | | Authors: | Boettcher, J, Blum, A, Heine, A, Diederich, W.E, Klebe, G. | | Deposit date: | 2007-07-19 | | Release date: | 2008-04-15 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure-Guided Design of C2-Symmetric HIV-1 Protease Inhibitors Based on a Pyrrolidine Scaffold.
J.Med.Chem., 51, 2008
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2R3T
 | | I50V HIV-1 protease mutant in complex with a carbamoyl decorated pyrrolidine-based inhibitor | | Descriptor: | 4,4'-{(3S,4S)-PYRROLIDINE-3,4-DIYLBIS[(BENZYLIMINO)SULFONYL]}DIBENZAMIDE, CHLORIDE ION, Protease | | Authors: | Boettcher, J, Blum, A, Heine, A, Diederich, W.E, Klebe, G. | | Deposit date: | 2007-08-30 | | Release date: | 2008-09-02 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural and Kinetic Analysis of Pyrrolidine-Based Inhibitors of the Drug-Resistant Ile84Val Mutant of HIV-1 Protease
J.Mol.Biol., 383, 2008
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4JZU
 | | Crystal structure of the Bacillus subtilis pyrophosphohydrolase BsRppH bound to a non-hydrolysable triphosphorylated dinucleotide RNA (pcp-pGpG) - first guanosine residue in guanosine binding pocket | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, RNA (5'-R(*(GCP)P*G)-3'), RNA PYROPHOSPHOHYDROLASE | | Authors: | Piton, J, Larue, V, Thillier, Y, Dorleans, A, Pellegrini, O, Li de la Sierra-Gallay, I, Vasseur, J.J, Debart, F, Tisne, C, Condon, C. | | Deposit date: | 2013-04-03 | | Release date: | 2013-05-08 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Bacillus subtilis RNA deprotection enzyme RppH recognizes guanosine in the second position of its substrates.
Proc.Natl.Acad.Sci.USA, 110, 2013
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3H0K
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