3UDN
 
 | | Crystal Structure of BACE with Compound 9 | | Descriptor: | 1,2-ETHANEDIOL, 4-cyanobenzyl (3S,5'R)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate, Beta-secretase 1, ... | | Authors: | Efremov, I.V, Vajdos, F.F, Borzilleri, K, Capetta, S, Dorff, P, Dutra, J, Mansour, M, Oborski, C, O'Connell, T, O'Sullivan, T.J, Pandit, J, Wang, H, Withka, J. | | Deposit date: | 2011-10-28 | | Release date: | 2012-04-18 | | Last modified: | 2018-04-04 | | Method: | X-RAY DIFFRACTION (2.193 Å) | | Cite: | Discovery and optimization of a novel spiropyrrolidine inhibitor of {beta}-secretase (BACE1) through fragment-based drug design.
J.Med.Chem., 55, 2012
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3UDY
 | | Crystal Structure of BACE with Compound 11 | | Descriptor: | 1,2-ETHANEDIOL, 3-bromo-4-cyanobenzyl (3S,5'R)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate, Beta-secretase 1, ... | | Authors: | Efremov, I.V, Vajdos, F.F, Borzilleri, K, Capetta, S, Dorff, P, Dutra, J, Mansour, M, Oborski, C, O'Connell, T, O'Sullivan, T.J, Pandit, J, Wang, H, Withka, J. | | Deposit date: | 2011-10-28 | | Release date: | 2012-04-18 | | Last modified: | 2018-04-04 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery and optimization of a novel spiropyrrolidine inhibitor of {beta}-secretase (BACE1) through fragment-based drug design.
J.Med.Chem., 55, 2012
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3UDK
 | | Crystal Structure of BACE with Compound 6 | | Descriptor: | 1,2-ETHANEDIOL, Beta-secretase 1, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Efremov, I.V, Vajdos, F.F, Borzilleri, K, Capetta, S, Dorff, P, Dutra, J, Mansour, M, Oborski, C, O'Connell, T, O'Sullivan, T.J, Pandit, J, Wang, H, Withka, J. | | Deposit date: | 2011-10-28 | | Release date: | 2012-04-18 | | Last modified: | 2018-04-04 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Discovery and optimization of a novel spiropyrrolidine inhibitor of {beta}-secretase (BACE1) through fragment-based drug design.
J.Med.Chem., 55, 2012
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3UDP
 | | Crystal Structure of BACE with Compound 12 | | Descriptor: | (4S)-6-bromo-3,4-dihydro-2H-thiochromen-4-yl (3S,5'R)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate, 1,2-ETHANEDIOL, Beta-secretase 1, ... | | Authors: | Efremov, I.V, Vajdos, F.F, Borzilleri, K, Capetta, S, Dorff, P, Dutra, J, Mansour, M, Oborski, C, O'Connell, T, O'Sullivan, T.J, Pandit, J, Wang, H, Withka, J. | | Deposit date: | 2011-10-28 | | Release date: | 2012-04-18 | | Last modified: | 2018-04-04 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Discovery and optimization of a novel spiropyrrolidine inhibitor of {beta}-secretase (BACE1) through fragment-based drug design.
J.Med.Chem., 55, 2012
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4CVK
 | | PaMurF in complex with UDP-MurNAc-tripeptide (mDAP) | | Descriptor: | ALA-FGA-API, N-acetyl-alpha-muramic acid, UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase, ... | | Authors: | Ruane, K.M, Majce, V. | | Deposit date: | 2014-03-28 | | Release date: | 2015-04-22 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Pamurf in Complex with Udp-Murnac-Tripeptide (Mdap)
To be Published
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2RMH
 | | Human Urocortin 3 | | Descriptor: | Urocortin-3 | | Authors: | Grace, C.R.R, Perrin, M.H, Cantle, J.P, Vale, W.W, Rivier, J.E, Riek, R. | | Deposit date: | 2007-10-16 | | Release date: | 2008-01-01 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Common and divergent structural features of a series of corticotropin releasing factor-related peptides
J.Am.Chem.Soc., 129, 2007
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4LNM
 | | Structure of Escherichia coli Threonine Aldolase in Complex with Serine | | Descriptor: | (5-HYDROXY-4,6-DIMETHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ... | | Authors: | Safo, M.K, Contestabile, R, Remesh, S.G. | | Deposit date: | 2013-07-11 | | Release date: | 2013-11-06 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | On the catalytic mechanism and stereospecificity of Escherichia coli l-threonine aldolase.
Febs J., 281, 2014
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3WUC
 | | X-ray crystal structure of Xenopus laevis galectin-Va | | Descriptor: | Galectin, MALONIC ACID, beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose | | Authors: | Nonaka, Y, Yoshida, H, Kamitori, S, Nakamura, T. | | Deposit date: | 2014-04-23 | | Release date: | 2015-04-08 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structure of a Xenopus laevis skin proto-type galectin, close to but distinct from galectin-1.
Glycobiology, 25, 2015
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1JMW
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1JOK
 | | Averaged structure for Staphylococcal nuclease-H124L in ternary complex with Ca2+ and thymidine-3',5'-bisphosphate | | Descriptor: | THYMIDINE-3',5'-DIPHOSPHATE, staphylococcal nuclease | | Authors: | Wang, J, Truckses, D.M, Abildgaard, F, Dzakula, Z, Zolnai, Z, Markley, J.L. | | Deposit date: | 2001-07-30 | | Release date: | 2001-08-22 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structures of staphylococcal nuclease from multidimensional, multinuclear NMR: nuclease-H124L and its ternary complex with Ca2+ and thymidine-3',5'-bisphosphate.
J.Biomol.NMR, 10, 1997
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1JOQ
 | | Ensemble structures for Staphylococcal nuclease-H124L in ternary complex with Ca2+ and thymidine-3',5'-bisphosphate | | Descriptor: | THYMIDINE-3',5'-DIPHOSPHATE, staphylococcal nuclease | | Authors: | Wang, J, Truckses, D.M, Abildgaard, F, Dzakula, Z, Zolnai, Z, Markley, J.L. | | Deposit date: | 2001-07-30 | | Release date: | 2001-08-22 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structures of staphylococcal nuclease from multidimensional, multinuclear NMR: nuclease-H124L and its ternary complex with Ca2+ and thymidine-3',5'-bisphosphate.
J.Biomol.NMR, 10, 1997
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1XTB
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1XVB
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2DLF
 | | HIGH RESOLUTION CRYSTAL STRUCTURE OF THE FV FRAGMENT FROM AN ANTI-DANSYL SWITCH VARIANT ANTIBODY IGG2A(S) CRYSTALLIZED AT PH 6.75 | | Descriptor: | PROTEIN (ANTI-DANSYL IMMUNOGLOBULIN IGG2A(S) (HEAVY CHAIN)), PROTEIN (ANTI-DANSYL IMMUNOGLOBULIN IGG2A(S)-KAPPA (LIGHT CHAIN)), SULFATE ION | | Authors: | Nakasako, M, Takahashi, H, Shimada, I, Arata, Y. | | Deposit date: | 1998-12-17 | | Release date: | 1999-12-17 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | The pH-dependent structural variation of complementarity-determining region H3 in the crystal structures of the Fv fragment from an anti-dansyl monoclonal antibody.
J.Mol.Biol., 291, 1999
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2DTM
 | | Thermodynamic and structural analyses of hydrolytic mechanism by catalytic antibodies | | Descriptor: | IMMUNOGLOBULIN 6D9 | | Authors: | Oda, M, Ito, N, Tsumuraya, T, Suzuki, K, Fujii, I. | | Deposit date: | 2006-07-13 | | Release date: | 2007-05-29 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Thermodynamic and structural basis for transition-state stabilization in antibody-catalyzed hydrolysis
J.Mol.Biol., 369, 2007
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2E2K
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1FJW
 | | THERMOLYSIN (50 MM PHENOL SOAKED) | | Descriptor: | CALCIUM ION, DIMETHYL SULFOXIDE, PHENOL, ... | | Authors: | English, A.C, Groom, C.R, Hubbard, R.E. | | Deposit date: | 2000-08-08 | | Release date: | 2001-04-18 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Experimental and computational mapping of the binding surface of a crystalline protein.
Protein Eng., 14, 2001
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1K02
 | | Crystal Structure of Old Yellow Enzyme Mutant Gln114Asn | | Descriptor: | FLAVIN MONONUCLEOTIDE, MAGNESIUM ION, NADPH DEHYDROGENASE 1 | | Authors: | Brown, B.J, Hyun, J, Duvvuri, S.D, Karplus, P.A, Massey, V. | | Deposit date: | 2001-09-18 | | Release date: | 2001-09-26 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | The role of glutamine 114 in old yellow enzyme
J.Biol.Chem., 277, 2002
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3WFW
 | | Crystal Structure of the Closed Form of the HGbRL's Globin Domain | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Hemoglobin-like flavoprotein fused to Roadblock/LC7 domain, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Teh, A.H. | | Deposit date: | 2013-07-24 | | Release date: | 2014-08-06 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Open and Lys-His Hexacoordinated Closed Structures of a Globin with Swapped Proximal and Distal Sites.
Sci Rep, 5, 2015
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3WJ4
 | | Crystal structure of PPARgamma ligand binding domain in complex with tributyltin | | Descriptor: | Peroxisome proliferator-activated receptor gamma, tributylstannanyl | | Authors: | Harada, S, Hiromori, Y, Fukakusa, S, Kawahara, K, Nakamura, S, Noda, M, Uchiyama, S, Fukui, K, Nishikawa, J, Nagase, H, Kobayashi, Y, Ohkubo, T, Yoshida, T, Nakanishi, T. | | Deposit date: | 2013-10-04 | | Release date: | 2014-10-15 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural basis for PPARgamma transactivation by endocrine disrupting organotin compounds
To be Published
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1FJO
 | | THERMOLYSIN (60% ACETONE SOAKED CRYSTALS) | | Descriptor: | ACETONE, CALCIUM ION, DIMETHYL SULFOXIDE, ... | | Authors: | English, A.C, Groom, C.R, Hubbard, R.E. | | Deposit date: | 2000-08-08 | | Release date: | 2001-04-18 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Experimental and computational mapping of the binding surface of a crystalline protein.
Protein Eng., 14, 2001
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1FJV
 | | THERMOLYSIN (60% ACETONITRILE SOAKED CRYSTALS) | | Descriptor: | CALCIUM ION, DIMETHYL SULFOXIDE, THERMOLYSIN, ... | | Authors: | English, A.C, Groom, C.R, Hubbard, R.E. | | Deposit date: | 2000-08-08 | | Release date: | 2001-04-18 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Experimental and computational mapping of the binding surface of a crystalline protein.
Protein Eng., 14, 2001
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1SUO
 | | Structure of mammalian cytochrome P450 2B4 with bound 4-(4-chlorophenyl)imidazole | | Descriptor: | 4-(4-CHLOROPHENYL)IMIDAZOLE, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Scott, E.E, White, M.A, He, Y.A, Johnson, E.F, Stout, C.D, Halpert, J.R. | | Deposit date: | 2004-03-26 | | Release date: | 2004-07-20 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure of mammalian cytochrome P450 2B4 complexed with 4-(4-chlorophenyl)imidazole at 1.9 {angstrom} resolution: Insight into the range of P450 conformations and coordination of redox partner binding.
J.Biol.Chem., 279, 2004
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2HLE
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1Y0X
 | | Thyroxine-Thyroid Hormone Receptor Interactions | | Descriptor: | 3,5,3',5'-TETRAIODO-L-THYRONINE, CACODYLATE ION, Thyroid hormone receptor beta-1 | | Authors: | Sandler, B, Webb, P, Apriletti, J.W, Huber, B.R, Togashi, M, Cunha Lima, S.T, Juric, S, Nilsson, S, Wagner, R, Fletterick, R.J, Baxter, J.D. | | Deposit date: | 2004-11-16 | | Release date: | 2004-12-07 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Thyroxine-thyroid hormone receptor interactions.
J.Biol.Chem., 279, 2004
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