3QJY
 
 | | Crystal structure of P-loop G234A mutant of subunit A of the A1AO ATP synthase | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETIC ACID, ... | | Authors: | Ragunathan, P, Manimekalai, M.S.S, Jeyakanthan, J, Gruber, G. | | Deposit date: | 2011-01-31 | | Release date: | 2011-10-05 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Conserved glycine residues in the P-loop of ATP synthases form a doorframe for nucleotide entrance.
J.Mol.Biol., 413, 2011
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2XJ2
 | | Protein kinase Pim-1 in complex with small molecule inhibitor | | Descriptor: | (2E)-3-{3-[6-(4-methyl-1,4-diazepan-1-yl)pyrazin-2-yl]phenyl}prop-2-enoic acid, PROTO-ONCOGENE SERINE/THREONINE-PROTEIN KINASE PIM-1 | | Authors: | Schulz, M.N, Fanghanel, J, Schafer, M, Badock, V, Briem, H, Boemer, U, Nguyen, D, Husemann, M, Hillig, R.C. | | Deposit date: | 2010-07-01 | | Release date: | 2011-02-23 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystallographic Fragment Screen Identifies Cinnamic Acid Derivatives as Starting Points for Potent Pim-1 Inhibitors
Acta Crystallogr.,Sect.D, 67, 2011
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2XJ0
 | | Protein kinase Pim-1 in complex with fragment-4 from crystallographic fragment screen | | Descriptor: | (E)-3-(2-AMINO-PYRIDINE-5YL)-ACRYLIC ACID, PROTO-ONCOGENE SERINE/THREONINE PROTEIN KINASE PIM-1 | | Authors: | Schulz, M.N, Fanghanel, J, Schafer, M, Badock, V, Briem, H, Boemer, U, Nguyen, D, Husemann, M, Hillig, R.C. | | Deposit date: | 2010-07-01 | | Release date: | 2011-02-23 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Crystallographic Fragment Screen Identifies Cinnamic Acid Derivatives as Starting Points for Potent Pim-1 Inhibitors
Acta Crystallogr.,Sect.D, 67, 2011
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2XJ1
 | | Protein kinase Pim-1 in complex with small molecule inibitor | | Descriptor: | (2E)-3-(3-{6-[(TRANS-4-AMINOCYCLOHEXYL)AMINO]PYRAZIN-2-YL}PHENYL)PROP-2-ENOIC ACID, PROTO-ONCOGENE SERINE/THREONINE-PROTEIN KINASE PIM-1 | | Authors: | Schulz, M.N, Fanghanel, J, Schafer, M, Badock, V, Briem, H, Boemer, U, Nguyen, D, Husemann, M, Hillig, R.C. | | Deposit date: | 2010-07-01 | | Release date: | 2011-02-23 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | Crystallographic Fragment Screen Identifies Cinnamic Acid Derivatives as Starting Points for Potent Pim-1 Inhibitors
Acta Crystallogr.,Sect.D, 67, 2011
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2XIZ
 | | Protein kinase Pim-1 in complex with fragment-3 from crystallographic fragment screen | | Descriptor: | (E)-PYRIDIN-4-YL-ACRYLIC ACID, PROTO-ONCOGENE SERINE/THREONINE PROTEIN KINASE PIM-1 | | Authors: | Schulz, M.N, Fanghanel, J, Schafer, M, Badock, V, Briem, H, Boemer, U, Nguyen, D, Husemann, M, Hillig, R.C. | | Deposit date: | 2010-07-01 | | Release date: | 2011-02-23 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Crystallographic Fragment Screen Identifies Cinnamic Acid Derivatives as Starting Points for Potent Pim-1 Inhibitors
Acta Crystallogr.,Sect.D, 67, 2011
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4K47
 | | Structure of the Streptococcus pneumoniae leucyl-tRNA synthetase editing domain bound to a benzoxaborole-AMP adduct | | Descriptor: | Leucine--tRNA ligase, SULFATE ION, [(1R,5R,6R,8S)-6-(6-aminopurin-9-yl)-3'-[(R)-oxidanyl(phenyl)methyl]spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,9'-8-oxa-9-boranuidabicyclo[4.3.0]nona-1,3,5-triene]-8-yl]methyl dihydrogen phosphate | | Authors: | Hu, Q.H, Liu, R.J, Fang, Z.P, Zhang, J, Ding, Y.Y, Tan, M, Wang, M, Pan, W, Zhou, H.C, Wang, E.D. | | Deposit date: | 2013-04-12 | | Release date: | 2013-09-04 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Discovery of a potent benzoxaborole-based anti-pneumococcal agent targeting leucyl-tRNA synthetase
Sci Rep, 3, 2013
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4FBS
 | | Structure of monomeric NT from Euprosthenops australis Major Ampullate Spidroin 1 (MaSp1) | | Descriptor: | BROMIDE ION, Major ampullate spidroin 1 | | Authors: | Askarieh, G, Hedhammar, M, Rising, A, Johansson, J, Knight, S.D. | | Deposit date: | 2012-05-23 | | Release date: | 2012-08-01 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | pH-Dependent Dimerization of Spider Silk N-Terminal Domain Requires Relocation of a Wedged Tryptophan Side Chain
J.Mol.Biol., 2012
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2XIX
 | | Protein kinase Pim-1 in complex with fragment-1 from crystallographic fragment screen | | Descriptor: | 3,5-DIAMINO-1H-[1,2,4]TRIAZOLE, PROTO-ONCOGENE SERINE/THREONINE-PROTEIN KINASE PIM-1 | | Authors: | Schulz, M.N, Fanghanel, J, Schafer, M, Badock, V, Briem, H, Boemer, U, Nguyen, D, Husemann, M, Hillig, R.C. | | Deposit date: | 2010-07-01 | | Release date: | 2011-02-23 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystallographic Fragment Screen Identifies Cinnamic Acid Derivatives as Starting Points for Potent Pim-1 Inhibitors
Acta Crystallogr.,Sect.D, 67, 2011
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4K48
 | | Structure of the Streptococcus pneumoniae leucyl-tRNA synthetase editing domain | | Descriptor: | Leucine--tRNA ligase | | Authors: | Hu, Q.H, Liu, R.J, Fang, Z.P, Zhang, J, Ding, Y.Y, Tan, M, Wang, M, Pan, W, Zhou, H.C, Wang, E.D. | | Deposit date: | 2013-04-12 | | Release date: | 2013-09-04 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | Discovery of a potent benzoxaborole-based anti-pneumococcal agent targeting leucyl-tRNA synthetase
Sci Rep, 3, 2013
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2LPJ
 | | NMR structure of major ampullate spidroin 1 N-terminal domain at pH 7.2 | | Descriptor: | Major ampullate spidroin 1 | | Authors: | Jaudzems, K, Nordling, K, Landreh, M, Rising, A, Askarieh, G, Knight, S.D, Johansson, J. | | Deposit date: | 2012-02-14 | | Release date: | 2012-06-27 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | pH-Dependent Dimerization of Spider Silk N-Terminal Domain Requires Relocation of a Wedged Tryptophan Side Chain.
J.Mol.Biol., 422, 2012
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3TKZ
 | | Structure of the SHP-2 N-SH2 domain in a 1:2 complex with RVIpYFVPLNR peptide | | Descriptor: | PROTEIN (RVIpYFVPLNR peptide), Tyrosine-protein phosphatase non-receptor type 11 | | Authors: | Zhang, Y, Zhang, J, Yuan, C, Hard, R.L, Park, I.H, Li, C, Bell, C.E, Pei, D. | | Deposit date: | 2011-08-29 | | Release date: | 2011-10-26 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Simultaneous binding of two peptidyl ligands by a SRC homology 2 domain.
Biochemistry, 50, 2011
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4EPR
 | | Discovery of Small Molecules that Bind to K-Ras and Inhibit Sos-Mediated Activation. | | Descriptor: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION | | Authors: | Sun, Q, Burke, J.P, Phan, J, Burns, M.C, Olejniczak, E.T, Waterson, A.G, Lee, T, Rossanese, O.W, Fesik, S.W. | | Deposit date: | 2012-04-17 | | Release date: | 2012-05-23 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery of Small Molecules that Bind to K-Ras and Inhibit Sos-Mediated Activation.
Angew.Chem.Int.Ed.Engl., 51, 2012
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4EPW
 | | Discovery of Small Molecules that Bind to K-Ras and Inhibit Sos-mediated Activation | | Descriptor: | (4-hydroxypiperidin-1-yl)(1H-indol-3-yl)methanethione, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Sun, Q, Burke, J.P, Phan, J, Burns, M.C, Olejniczak, E.T, Waterson, A.G, Lee, T, Rossanese, O.W, Fesik, S.W. | | Deposit date: | 2012-04-17 | | Release date: | 2012-05-23 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Discovery of Small Molecules that Bind to K-Ras and Inhibit Sos-Mediated Activation.
Angew.Chem.Int.Ed.Engl., 51, 2012
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2MFZ
 | | NMR structure of C-terminal domain from A. ventricosus minor ampullate spidroin (MiSp) | | Descriptor: | Minor ampullate spidroin | | Authors: | Otikovs, M, Jaudzems, K, Andersson, M, Chen, G, Landreh, M, Nordling, K, Kronqvist, N, Westermark, P, Jornvall, H, Knight, S, Ridderstrale, Y, Holm, L, Meng, Q, Chesler, M, Johansson, J, Rising, A. | | Deposit date: | 2013-10-24 | | Release date: | 2014-08-20 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Carbonic Anhydrase Generates CO2 and H+ That Drive Spider Silk Formation Via Opposite Effects on the Terminal Domains
Plos Biol., 12, 2014
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2JI3
 | | X-ray structure of the iron-peroxide intermediate of superoxide reductase (E114A mutant) from Desulfoarculus baarsii | | Descriptor: | CALCIUM ION, Desulfoferrodoxin, FE (III) ION, ... | | Authors: | Katona, G, Carpentier, P, Niviere, V, Amara, P, Adam, V, Ohana, J, Tsanov, N, Bourgeois, D. | | Deposit date: | 2007-02-24 | | Release date: | 2007-05-01 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Raman-assisted crystallography reveals end-on peroxide intermediates in a nonheme iron enzyme.
Science, 316, 2007
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1ORJ
 | | FLAGELLAR EXPORT CHAPERONE | | Descriptor: | flagellar protein FliS | | Authors: | Evdokimov, A.G, Phan, J, Tropea, J.E, Routzahn, K.M, Peters III, H.K, Pokross, M, Waugh, D.S. | | Deposit date: | 2003-03-13 | | Release date: | 2003-09-16 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Similar modes of polypeptide recognition by export chaperones in flagellar biosynthesis and type III secretion
Nat.Struct.Biol., 10, 2003
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2JEV
 | | Crystal structure of human spermine,spermidine acetyltransferase in complex with a bisubstrate analog (N1-acetylspermine-S-CoA). | | Descriptor: | (3R)-27-AMINO-3-HYDROXY-2,2-DIMETHYL-4,8,14-TRIOXO-12-THIA-5,9,15,19,24-PENTAAZAHEPTACOS-1-YL [(2S,3R,4S,5S)-5-(6-AMINO-9H-PURIN-9-YL)-4-HYDROXY-3-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN DIPHOSPHATE, DIAMINE ACETYLTRANSFERASE 1 | | Authors: | Hegde, S.S, Chandler, J, Vetting, M.W, Yu, M, Blanchard, J.S. | | Deposit date: | 2007-01-23 | | Release date: | 2007-06-05 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Mechanistic and Structural Analysis of Human Spermidine/Spermine N(1)-Acetyltransferase.
Biochemistry, 46, 2007
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2MP2
 | | Solution structure of SUMO dimer in complex with SIM2-3 from RNF4 | | Descriptor: | E3 ubiquitin-protein ligase RNF4, Small ubiquitin-related modifier 3 | | Authors: | Xu, Y, Plechanovov, A, Simpson, P, Marchant, J, Leidecker, O, Sebastian, K, Hay, R.T, Matthews, S.J. | | Deposit date: | 2014-05-09 | | Release date: | 2014-07-02 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Structural insight into SUMO chain recognition and manipulation by the ubiquitin ligase RNF4.
Nat Commun, 5, 2014
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7FBY
 | | Crystal Structure of PH0140 from Pyrococcus horikosii OT3 | | Descriptor: | 1,2-ETHANEDIOL, ISOLEUCINE, Transcriptional regulatory protein | | Authors: | Richard, M, Ahmad, M, Pal, R.K, Biswal, B.K, Jeyakanthan, J. | | Deposit date: | 2021-07-13 | | Release date: | 2022-07-20 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.001 Å) | | Cite: | Crystal Structure of PH0140 from Pyrococcus horikosii OT3
To Be Published
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2JI1
 | | X-ray structure of wild-type superoxide reductase from Desulfoarculus baarsii | | Descriptor: | CALCIUM ION, Desulfoferrodoxin, FE (II) ION, ... | | Authors: | Katona, G, Carpentier, P, Niviere, V, Amara, P, Adam, V, Ohana, J, Tsanov, N, Bourgeois, D. | | Deposit date: | 2007-02-24 | | Release date: | 2007-05-01 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Raman-assisted crystallography reveals end-on peroxide intermediates in a nonheme iron enzyme.
Science, 316, 2007
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2JI2
 | | X-ray structure of E114A mutant of superoxide reductase from Desulfoarculus baarsii in the native, reduced form | | Descriptor: | CALCIUM ION, Desulfoferrodoxin, FE (II) ION, ... | | Authors: | Katona, G, Carpentier, P, Niviere, V, Amara, P, Adam, V, Ohana, J, Tsanov, N, Bourgeois, D. | | Deposit date: | 2007-02-24 | | Release date: | 2007-05-01 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Raman-assisted crystallography reveals end-on peroxide intermediates in a nonheme iron enzyme.
Science, 316, 2007
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1ORY
 | | FLAGELLAR EXPORT CHAPERONE IN COMPLEX WITH ITS COGNATE BINDING PARTNER | | Descriptor: | Flagellin, PHOSPHATE ION, flagellar protein FliS | | Authors: | Evdokimov, A.G, Phan, J, Tropea, J.E, Routzahn, K.M, Peters III, H.K, Pokross, M, Waugh, D.S. | | Deposit date: | 2003-03-17 | | Release date: | 2003-09-16 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Similar modes of polypeptide recognition by export chaperones in flagellar biosynthesis and type III secretion
Nat.Struct.Biol., 10, 2003
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1QQQ
 | | CRYSTAL STRUCTURE ANALYSIS OF SER254 MUTANT OF ESCHERICHIA COLI THYMIDYLATE SYNTHASE | | Descriptor: | SULFATE ION, THYMIDYLATE SYNTHASE | | Authors: | Fantz, C, Shaw, D, Jennings, W, Forsthoefel, A, Kitchens, M, Phan, J, Minor, W, Lebioda, L, Berger, F.G, Spencer, H.T. | | Deposit date: | 1999-06-07 | | Release date: | 1999-06-14 | | Last modified: | 2022-04-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Drug-resistant variants of Escherichia coli thymidylate synthase: effects of substitutions at Pro-254.
Mol.Pharmacol., 57, 2000
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2J2F
 | | The T199D Mutant of Stearoyl Acyl Carrier Protein Desaturase from Ricinus Communis (Castor Bean) | | Descriptor: | ACYL-[ACYL-CARRIER-PROTEIN] DESATURASE, FE (III) ION | | Authors: | Guy, J.E, Abreu, I.A, Moche, M, Lindqvist, Y, Whittle, E, Shanklin, J. | | Deposit date: | 2006-08-16 | | Release date: | 2006-10-23 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | A Single Mutation in the Castor {Delta}9-18:0- Desaturase Changes Reaction Partitioning from Desaturation to Oxidase Chemistry.
Proc.Natl.Acad.Sci.USA, 103, 2006
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1RQ5
 | | Structural Basis for the Exocellulase Activity of the Cellobiohydrolase CbhA from C. thermocellum | | Descriptor: | CALCIUM ION, Cellobiohydrolase, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | | Authors: | Schubot, F.D, Kataeva, I.A, Chang, J, Shah, A.K, Ljungdahl, L.G, Rose, J.P, Wang, B.C. | | Deposit date: | 2003-12-04 | | Release date: | 2004-03-30 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural basis for the exocellulase activity of the cellobiohydrolase CbhA from Clostridium thermocellum
Biochemistry, 43, 2004
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