2VWL
 
 | | Aminopyrrolidine Factor Xa inhibitor | | Descriptor: | 5-CHLORO-THIOPHENE-2-CARBOXYLIC ACID ((3R,5S)-1-{[2-FLUORO-4-(2-OXO-PYRIDIN-1-YL)-PHENYLCARBAMOYL]-METHYL}-5-HYDROXYMETHYL-PYRROLIDIN-3-YL)-AMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | | Authors: | Groebke-Zbinden, K, Banner, D.W, Benz, J.M, Blasco, F, Decoret, G, Himber, J, Kuhn, B, Panday, N, Ricklin, F, Risch, P, Schlatter, D, Stahl, M, Unger, R, Haap, W. | | Deposit date: | 2008-06-26 | | Release date: | 2009-07-07 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Design of Novel Aminopyrrolidine Factor Xa Inhibitors from a Screening Hit.
Eur.J.Med.Chem., 44, 2009
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2IJ4
 | | Structure of the A264K mutant of cytochrome P450 BM3 | | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, cytochrome P450 BM3 | | Authors: | Toogood, H.S, Leys, D. | | Deposit date: | 2006-09-29 | | Release date: | 2006-11-07 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural and spectroscopic characterization of P450 BM3 mutants with unprecedented P450 heme iron ligand sets. New heme ligation states influence conformational equilibria in P450 BM3.
J.Biol.Chem., 282, 2007
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2IRV
 | | Crystal structure of GlpG, a rhomboid intramembrane serine protease | | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, DODECYL-BETA-D-MALTOSIDE, LAURYL DIMETHYLAMINE-N-OXIDE, ... | | Authors: | Bibi, E, Fass, D, Ben-Shem, A. | | Deposit date: | 2006-10-16 | | Release date: | 2006-10-31 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural basis for intramembrane proteolysis by rhomboid serine proteases.
Proc.Natl.Acad.Sci.Usa, 104, 2007
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1JTP
 | | Degenerate interfaces in antigen-antibody complexes | | Descriptor: | FORMIC ACID, LYSOZYME C, SODIUM ION, ... | | Authors: | Decanniere, K, Transue, T.R, Desmyter, A, Maes, D, Muyldermans, S, Wyns, L. | | Deposit date: | 2001-08-21 | | Release date: | 2001-12-05 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Degenerate interfaces in antigen-antibody complexes.
J.Mol.Biol., 313, 2001
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1JUJ
 | | Human Thymidylate Synthase Bound to dUMP and LY231514, a Pyrrolo(2,3-d)pyrimidine-based Antifolate | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYLAMINO}-PENTANEDIOIC ACID, THYMIDYLATE SYNTHASE | | Authors: | Sayre, P.H, Finer-Moore, J.S, Fritz, T.A, Biermann, D, Gates, S.B, MacKellar, W.C, Patel, V.F, Stroud, R.M. | | Deposit date: | 2001-08-24 | | Release date: | 2001-09-19 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Multi-targeted antifolates aimed at avoiding drug resistance form covalent closed inhibitory complexes with human and Escherichia coli thymidylate synthases.
J.Mol.Biol., 313, 2001
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2IUR
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2J14
 | | 3,4,5-Trisubstituted Isoxazoles as Novel PPARdelta Agonists: Part2 | | Descriptor: | (3-{4-[2-(2,4-DICHLORO-PHENOXY)-ETHYLCARBAMOYL]-5-PHENYL-ISOXAZOL-3-YL}-PHENYL)-ACETIC ACID, PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR DELTA | | Authors: | Epple, R, Azimioara, M, Russo, R, Xie, Y, Wang, X, Cow, C, Wityak, J, Karanewsky, D, Bursulaya, B, Kreusch, A, Tuntland, T, Gerken, A, Iskandar, M, Saez, E, Seidel, H.M, Tian, S.S. | | Deposit date: | 2006-08-08 | | Release date: | 2006-09-06 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | 3,4,5-Trisubstituted Isoxazoles as Novel Ppardelta Agonists. Part 2
Bioorg.Med.Chem.Lett., 16, 2006
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2J95
 | | CRYSTAL STRUCTURE OF A HUMAN FACTOR XA INHIBITOR COMPLEX | | Descriptor: | 5'-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}-2,2'-BITHIOPHENE-5-SULFONAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, ACTIVATED FACTOR XA LIGHT CHAIN, ... | | Authors: | Chan, C, Borthwick, A.D, Brown, D, Campbell, M, Chaudry, L, Chung, C.W, Convery, M.A, Hamblin, J.N, Johnstone, L, Kelly, H.A, Kleanthous, S, Burns-Kurtis, C.L, Patikis, A, Patel, C, Pateman, A.J, Senger, S, Shah, G.P, Toomey, J.R, Watson, N.S, Weston, H.E, Whitworth, C, Young, R.J, Zhou, P. | | Deposit date: | 2006-11-02 | | Release date: | 2007-03-20 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Factor Xa Inhibitors: S1 Binding Interactions of a Series of N-{(3S)-1-[(1S)-1-Methyl-2-Morpholin-4-Yl-2-Oxoethyl]-2-Oxopyrrolidin-3-Yl}Sulfonamides.
J.Med.Chem., 50, 2007
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2II0
 | | Crystal Structure of catalytic domain of Son of sevenless (Rem-Cdc25) in the absence of Ras | | Descriptor: | Son of sevenless homolog 1 | | Authors: | Freedman, T.S, Sondermann, H, Friedland, G.D, Kortemme, T, Bar-Sagi, D, Marqusee, S, Kuriyan, J. | | Deposit date: | 2006-09-27 | | Release date: | 2006-10-31 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | A Ras-induced conformational switch in the Ras activator Son of sevenless.
Proc.Natl.Acad.Sci.Usa, 103, 2006
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2IJ5
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2IUP
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1K3E
 | | Type III secretion chaperone CesT | | Descriptor: | CesT | | Authors: | Luo, Y, Bertero, M, Frey, E.A, Pfuetzner, R.A, Wenk, M.R, Creagh, L, Marcus, S.L, Lim, D, Finlay, B.B, Strynadka, N.C.J. | | Deposit date: | 2001-10-02 | | Release date: | 2001-11-28 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural and biochemical characterization of the type III secretion chaperones CesT and SigE.
Nat.Struct.Biol., 8, 2001
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1K9F
 | | Crystal structure of a mutated family-67 alpha-D-glucuronidase (E285N) from Bacillus stearothermophilus T-6, complexed with aldotetraouronic acid | | Descriptor: | 4-O-methyl-alpha-D-glucopyranuronic acid-(1-2)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose, GLYCEROL, alpha-D-glucuronidase | | Authors: | Golan, G, Shallom, D, Teplitsky, A, Zaide, G, Shulami, S, Baasov, T, Stojanoff, V, Thompson, A, Shoham, Y, Shoham, G. | | Deposit date: | 2001-10-29 | | Release date: | 2002-10-29 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Crystal Structures of Geobacillus stearothermophilus {alpha}-Glucuronidase Complexed with Its Substrate and Products: MECHANISTIC IMPLICATIONS.
J.Biol.Chem., 279, 2004
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1K50
 | | A V49A Mutation Induces 3D Domain Swapping in the B1 Domain of Protein L from Peptostreptococcus magnus | | Descriptor: | Protein L | | Authors: | O'Neill, J.W, Kim, D.E, Johnsen, K, Baker, D, Zhang, K.Y.J. | | Deposit date: | 2001-10-09 | | Release date: | 2001-12-05 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Single-site mutations induce 3D domain swapping in the B1 domain of protein L from Peptostreptococcus magnus.
Structure, 9, 2001
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1K5K
 | | Homonuclear 1H Nuclear Magnetic Resonance Assignment and Structural Characterization of HIV-1 Tat Mal Protein | | Descriptor: | TAT protein | | Authors: | Gregoire, C, Peloponese, J.M, Esquieu, D, Opi, S, Campbell, G, Solomiac, M, Lebrun, E, Lebreton, J, Loret, E.P. | | Deposit date: | 2001-10-11 | | Release date: | 2002-06-19 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Homonuclear (1)H-NMR assignment and structural characterization of human immunodeficiency virus type 1 Tat Mal protein.
Biopolymers, 62, 2001
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1K90
 | | Crystal structure of the adenylyl cyclase domain of anthrax edema factor (EF) in complex with calmodulin and 3' deoxy-ATP | | Descriptor: | 3'-DEOXYADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, CALMODULIN, ... | | Authors: | Drum, C.L, Yan, S.-Z, Bard, J, Shen, Y.-Q, Lu, D, Soelaiman, S, Grabarek, Z, Bohm, A, Tang, W.-J. | | Deposit date: | 2001-10-26 | | Release date: | 2002-01-23 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Structural basis for the activation of anthrax adenylyl cyclase exotoxin by calmodulin.
Nature, 415, 2002
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1K53
 | | Monomeric Protein L B1 Domain with a G15A Mutation | | Descriptor: | Protein L, ZINC ION | | Authors: | O'Neill, J.W, Kim, D.E, Johnsen, K, Baker, D, Zhang, K.Y.J. | | Deposit date: | 2001-10-09 | | Release date: | 2001-12-05 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Single-site mutations induce 3D domain swapping in the B1 domain of protein L from Peptostreptococcus magnus.
Structure, 9, 2001
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1K3S
 | | Type III Secretion Chaperone SigE | | Descriptor: | PHOSPHATE ION, SigE | | Authors: | Bertero, M.G, Luo, Y, Frey, E.A, Pfuetzner, R.A, Wenk, M.R, Creagh, L, Marcus, S.L, Lim, D, Finlay, B.B, Strynadka, N.C.J. | | Deposit date: | 2001-10-03 | | Release date: | 2001-11-28 | | Last modified: | 2016-05-25 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural and biochemical characterization of the type III secretion chaperones CesT and SigE.
Nat.Struct.Biol., 8, 2001
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2IGW
 | | CYCLOPHILIN 3 complexed with DIPEPTIDE GLY-PRO | | Descriptor: | GLYCINE, PROLINE, Peptidyl-prolyl cis-trans isomerase 3 | | Authors: | Kan, D. | | Deposit date: | 2006-09-25 | | Release date: | 2007-08-14 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Experimental Determination of van der Waals Energies in a Biological System.
Angew.Chem.Int.Ed.Engl., 46, 2007
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2IHY
 | | Structure of the Staphylococcus aureus putative ATPase subunit of an ATP-binding cassette (ABC) transporter | | Descriptor: | ABC transporter, ATP-binding protein, SULFATE ION | | Authors: | McGrath, T.E, Yu, C.S, Romanov, V, Lam, R, Dharamsi, A, Virag, C, Mansoury, K, Thambipillai, D, Richards, D, Guthrie, J, Edwards, A.M, Pai, E.F, Chirgadze, N.Y. | | Deposit date: | 2006-09-27 | | Release date: | 2007-09-18 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of the Staphylococcus aureus putative ATPase subunit of an ATP-binding cassette (ABC) transporter
To be Published
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1K6K
 | | Crystal Structure of ClpA, an AAA+ Chaperone-like Regulator of ClpAP protease implication to the functional difference of two ATPase domains | | Descriptor: | ATP-DEPENDENT CLP PROTEASE ATP-BINDING SUBUNIT CLPA | | Authors: | Guo, F, Maurizi, M.R, Esser, L, Xia, D. | | Deposit date: | 2001-10-16 | | Release date: | 2002-09-27 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of ClpA, an HSP100 chaperone and regulator of ClpAP protease
J.Biol.Chem., 277, 2002
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2IOH
 | | Crystal structure of phosphonoacetaldehyde hydrolase with a K53R mutation | | Descriptor: | MAGNESIUM ION, PHOSPHATE ION, Phosphonoacetaldehyde hydrolase | | Authors: | Allen, K.A, Lahiri, S.D, Zhang, G, Dunaway-Mariano, D, Peisach, E. | | Deposit date: | 2006-10-10 | | Release date: | 2007-08-07 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Diversification of function in the haloacid dehalogenase enzyme superfamily: The role of the cap domain in hydrolytic phosphoruscarbon bond cleavage.
Bioorg.Chem., 34, 2006
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1K4U
 | | Solution structure of the C-terminal SH3 domain of p67phox complexed with the C-terminal tail region of p47phox | | Descriptor: | PHAGOCYTE NADPH OXIDASE SUBUNIT P47PHOX, PHAGOCYTE NADPH OXIDASE SUBUNIT P67PHOX | | Authors: | Kami, K, Takeya, R, Sumimoto, H, Kohda, D. | | Deposit date: | 2001-10-08 | | Release date: | 2002-04-08 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Diverse recognition of non-PxxP peptide ligands by the SH3 domains from p67(phox), Grb2 and Pex13p.
EMBO J., 21, 2002
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1K8T
 | | Crystal structure of the adenylyl cyclase domain of anthrax edema factor (EF) | | Descriptor: | CALMODULIN-SENSITIVE ADENYLATE CYCLASE, NICKEL (II) ION, SULFATE ION | | Authors: | Drum, C.L, Yan, S.-Z, Bard, J, Shen, Y.-Q, Lu, D, Soelaiman, S, Grabarek, Z, Bohm, A, Tang, W.-J. | | Deposit date: | 2001-10-25 | | Release date: | 2002-01-23 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural basis for the activation of anthrax adenylyl cyclase exotoxin by calmodulin
Nature, 415, 2002
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1K6H
 | | Solution Structure of Conserved AGNN Tetraloops: Insights into Rnt1p RNA processing | | Descriptor: | RNA (5'-R(P*GP*GP*CP*GP*UP*GP*UP*UP*CP*AP*GP*AP*AP*GP*AP*AP*CP*GP*CP*GP*CP*C)-3') | | Authors: | Lebars, I, Lamontagne, B, Yoshizawa, S, Abou Elela, S, Fourmy, D. | | Deposit date: | 2001-10-16 | | Release date: | 2001-12-19 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structure of conserved AGNN tetraloops: insights into Rnt1p RNA processing.
EMBO J., 20, 2001
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