1PWM
 
 | | Crystal structure of human Aldose Reductase complexed with NADP and Fidarestat | | Descriptor: | (2S,4S)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE, CHLORIDE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | El-Kabbani, O, Darmanin, C, Schneider, T.R, Hazemann, I, Ruiz, F, Oka, M, Joachimiak, A, Schulze-Briese, C, Tomizaki, T, Mitschler, A, Podjarny, A. | | Deposit date: | 2003-07-02 | | Release date: | 2004-02-24 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (0.92 Å) | | Cite: | Ultrahigh resolution drug design. II. Atomic resolution structures of human aldose reductase holoenzyme complexed with Fidarestat and Minalrestat: implications for the binding of cyclic imide inhibitors
PROTEINS, 55, 2004
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1UPD
 | | Oxidized STRUCTURE OF CYTOCHROME C3 FROM DESULFOVIBRIO DESULFURICANS ATCC 27774 AT PH 7.6 | | Descriptor: | CYTOCHROME C3, HEME C | | Authors: | Bento, I, Matias, P.M, Baptista, A.M, Da Costa, P.N, Van Dongen, W.M.A.M, Saraiva, L.M, Schneider, T.R, Soares, C.M, Carrondo, M.A. | | Deposit date: | 2003-09-29 | | Release date: | 2004-09-30 | | Last modified: | 2019-05-22 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Molecular Basis for Redox-Bohr and Cooperative Effects in Cytochrome C3 from Desulfovibrio Desulfuricans Atcc 27774: Crystallographic and Modeling Studies of Oxidized and Reduced High-Resolution Structures at Ph 7.6
Proteins, 54, 2004
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1SYC
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1T45
 | | STRUCTURAL BASIS FOR THE AUTOINHIBITION AND STI-571 INHIBITION OF C-KIT TYROSINE KINASE | | Descriptor: | Homo sapiens v-kit Hardy-Zuckerman 4 feline sarcoma viral oncogene homolog | | Authors: | Mol, C.D, Dougan, D.R, Schneider, T.R, Skene, R.J, Kraus, M.L, Scheibe, D.N, Snell, G.P, Zou, H, Sang, B.C, Wilson, K.P. | | Deposit date: | 2004-04-28 | | Release date: | 2004-06-15 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural basis for the autoinhibition and STI-571 inhibition of c-Kit tyrosine kinase.
J.Biol.Chem., 279, 2004
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1UP9
 | | REDUCED STRUCTURE OF CYTOCHROME C3 FROM DESULFOVIBRIO DESULFURICANS ATCC 27774 AT PH 7.6 | | Descriptor: | CYTOCHROME C3, HEME C, SULFATE ION | | Authors: | Bento, I, Matias, P.M, Baptista, A.M, Da Costa, P.N, Van Dongen, W.M.A.M, Saraiva, L.M, Schneider, T.R, Soares, C.M, Carrondo, M.A. | | Deposit date: | 2003-09-29 | | Release date: | 2004-09-30 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Molecular Basis for Redox-Bohr and Cooperative Effects in Cytochrome C3 from Desulfovibrio Desulfuricans Atcc 27774: Crystallographic and Modeling Studies of Oxidized and Reduced High-Resolution Structures at Ph 7.6
Proteins, 54, 2004
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1US0
 | | Human Aldose Reductase in complex with NADP+ and the inhibitor IDD594 at 0.66 Angstrom | | Descriptor: | ALDOSE REDUCTASE, CITRIC ACID, IDD594, ... | | Authors: | Howard, E.I, Sanishvili, R, Cachau, R.E, Mitschler, A, Chevrier, B, Barth, P, Lamour, V, Van Zandt, M, Sibley, E, Bon, C, Moras, D, Schneider, T.R, Joachimiak, A, Podjarny, A. | | Deposit date: | 2003-11-16 | | Release date: | 2004-05-07 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (0.66 Å) | | Cite: | Ultrahigh Resolution Drug Design I: Details of Interactions in Human Aldose Reductase-Inhibitor Complex at 0.66 A.
Proteins, 55, 2004
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1TUT
 | | J4/5 Loop from the Candida albicans and Candida dubliniensis Group I Introns | | Descriptor: | 5'-R(*GP*AP*GP*GP*AP*AP*GP*GP*CP*GP*A)-3', 5'-R(*UP*CP*GP*UP*UP*AP*AP*UP*CP*UP*C)-3' | | Authors: | Znosko, B.M, Kennedy, S.D, Wille, P.C, Krugh, T.R, Turner, D.H. | | Deposit date: | 2004-06-25 | | Release date: | 2004-12-28 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Structural Features and Thermodynamics of the J4/5 Loop from the Candida albicans and Candida dubliniensis Group I Introns.
Biochemistry, 43, 2004
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1TZ7
 | | Aquifex aeolicus amylomaltase | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 4-alpha-glucanotransferase | | Authors: | Barends, T.R.M, Korf, H, Kaper, T, van der Maarel, M.J.E.C, Dijkhuizen, L, Dijkstra, B.W. | | Deposit date: | 2004-07-09 | | Release date: | 2005-08-02 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structural influences on product specificity in amylomaltase from Aquifex aeolicus
TO BE PUBLISHED
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1SYG
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1VIB
 | | NMR SOLUTION STRUCTURE OF THE NEUROTOXIN B-IV, 20 STRUCTURES | | Descriptor: | NEUROTOXIN B-IV | | Authors: | Barnham, K.J, Dyke, T.R, Kem, W.R, Norton, R.S. | | Deposit date: | 1996-11-25 | | Release date: | 1997-05-15 | | Last modified: | 2017-11-29 | | Method: | SOLUTION NMR | | Cite: | Structure of neurotoxin B-IV from the marine worm Cerebratulus lacteus: a helical hairpin cross-linked by disulphide bonding.
J.Mol.Biol., 268, 1997
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1TH1
 | | Beta-catenin in complex with a phosphorylated APC 20aa repeat fragment | | Descriptor: | Adenomatous polyposis coli protein, Beta-catenin | | Authors: | Xing, Y, Clements, W.K, Le Trong, I, Hinds, T.R, Stenkamp, R, Kimelman, D, Xu, W. | | Deposit date: | 2004-05-31 | | Release date: | 2004-09-07 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal Structure of a beta-Catenin/APC Complex Reveals a Critical Role for APC Phosphorylation in APC Function.
Mol.Cell, 15, 2004
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1QOW
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1SYD
 | | ENGINEERING ALTERNATIVE BETA-TURN TYPES IN STAPHYLOCOCCAL NUCLEASE | | Descriptor: | CALCIUM ION, STAPHYLOCOCCAL NUCLEASE, THYMIDINE-3',5'-DIPHOSPHATE | | Authors: | Hynes, T.R, Hodel, A, Fox, R.O. | | Deposit date: | 1994-01-07 | | Release date: | 1994-07-31 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Engineering alternative beta-turn types in staphylococcal nuclease.
Biochemistry, 33, 1994
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1VRX
 | | Endocellulase e1 from acidothermus cellulolyticus mutant y245g | | Descriptor: | ENDOCELLULASE E1 FROM A. CELLULOLYTICUS | | Authors: | Baker, J.O, McCarley, J.R, Lovett, R, Yu, C.H, Adney, W.S, Rignall, T.R, Vinzant, T.B, Decker, S.R, Sakon, J, Himmel, M.E. | | Deposit date: | 2005-06-30 | | Release date: | 2005-07-05 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Catalytically enhanced endocellulase Cel5A from Acidothermus cellulolyticus.
Appl.Biochem.Biotechnol., 121-124, 2005
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1OF8
 | | double complex of the tyrosine sensitive DAHP Synthase from S. cerevisiae with Co2+, PEP and the E4P analogoue G3P | | Descriptor: | COBALT (II) ION, GLYCEROL, PHOSPHO-2-DEHYDRO-3-DEOXYHEPTONATE ALDOLASE, ... | | Authors: | Koenig, V, Pfeil, A, Heinrich, G, Braus, G.H, Schneider, T.R. | | Deposit date: | 2003-04-08 | | Release date: | 2004-04-08 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Substrate and Metal Complexes of 3-Deoxy-D-Arabino-Heptulosonate-7-Phosphate Synthase from Saccharomyces Cerevisiae Provide New Insights Into the Catalytic Mechanism
J.Mol.Biol., 337, 2004
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1QZG
 | | Crystal structure of Pot1 (protection of telomere)- ssDNA complex | | Descriptor: | Protection of telomeres protein 1, THYMIDINE-5'-PHOSPHATE, telomeric single-stranded DNA | | Authors: | Lei, M, Podell, E.R, Baumann, P, Cech, T.R. | | Deposit date: | 2003-09-16 | | Release date: | 2003-11-18 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | DNA self-recognition in the structure of Pot1 bound to telomeric single-stranded DNA
Nature, 426, 2003
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1R0Q
 | | Characterization of the conversion of the malformed, recombinant cytochrome rc552 to a 2-formyl-4-vinyl (Spirographis) heme | | Descriptor: | 2-FORMYL-PROTOPORPHRYN IX, Cytochrome c-552 | | Authors: | Fee, J.A, Todaro, T.R, Luna, E, Sanders, D, Hunsicker-Wang, L.M, Patel, K.M, Bren, K.L, Gomez-Moran, E, Hill, M.G, Ai, J, Loehr, T.M, Oertling, W.A, Williams, P.A, Stout, C.D, McRee, D, Pastuszyn, A. | | Deposit date: | 2003-09-22 | | Release date: | 2004-09-28 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | Cytochrome rC552, formed during expression of the truncated, Thermus thermophilus cytochrome c552 gene in the cytoplasm of Escherichia coli, reacts spontaneously to form protein-bound 2-formyl-4-vinyl (Spirographis) heme.
Biochemistry, 43, 2004
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1QXM
 | | Crystal structure of a hemagglutinin component (HA1) from type C Clostridium botulinum | | Descriptor: | 1,2-ETHANEDIOL, HA1 | | Authors: | Inoue, K, Sobhany, M, Transue, T.R, Oguma, K, Pedersen, L.C, Negishi, M. | | Deposit date: | 2003-09-08 | | Release date: | 2004-01-20 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural analysis by X-ray crystallography and calorimetry of a haemagglutinin component (HA1) of the progenitor toxin from Clostridium botulinum.
Microbiology, 149, 2003
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1QZH
 | | Crystal structure of Pot1 (protection of telomere)- ssDNA complex | | Descriptor: | Protection of telomeres protein 1, telomeric single-stranded DNA | | Authors: | Lei, M, Podell, E.R, Baumann, P, Cech, T.R. | | Deposit date: | 2003-09-16 | | Release date: | 2003-11-25 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | DNA self-recognition in the structure of Pot1 bound to telomeric single-stranded DNA
Nature, 426, 2003
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1QYZ
 | | Characterization of the malformed, recombinant cytochrome rC552 | | Descriptor: | 2-ACETYL-PROTOPORPHYRIN IX, Cytochrome c-552 | | Authors: | Fee, J.A, Todaro, T.R, Luna, E, Sanders, D, Hunsicker-Wang, L.M, Patel, K.M, Bren, K.L, Gomez-Moran, E, Hill, M.G, Ai, J, Loehr, T.M, Oertling, W.A, Williams, P.A, Stout, C.D, McRee, D, Pastuszyn, A. | | Deposit date: | 2003-09-12 | | Release date: | 2004-09-28 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Cytochrome rC552, formed during expression of the truncated, Thermus thermophilus cytochrome c552 gene in the cytoplasm of Escherichia coli, reacts spontaneously to form protein-bound 2-formyl-4-vinyl (Spirographis) heme.
Biochemistry, 43, 2004
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7KZ7
 | | Crystals Structure of the Mutated Protease Domain of Botulinum Neurotoxin X (X4130B1). | | Descriptor: | 1,2-ETHANEDIOL, Botulinum neurotoxin type X, GLYCEROL, ... | | Authors: | Blum, T.R, Liu, H, Packer, M.S, Xiong, X, Lee, P.G, Zhang, S, Richter, M, Minasov, G, Satchell, K.J.F, Dong, M, Liu, D.R, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2020-12-10 | | Release date: | 2020-12-23 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Phage-assisted evolution of botulinum neurotoxin proteases with reprogrammed specificity.
Science, 371, 2021
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8BY1
 | | streptavidin with an iridium catalyst for CH activation | | Descriptor: | SULFATE ION, Streptavidin, tert-butyl 7'-[5-[(3aS,4S,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-1-chloranyl-2,3,4,5,6-pentamethyl-spiro[1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane-1,2'-3-aza-1-azonia-2$l^{8}-iridatricyclo[6.3.1.0^{4,12}]dodeca-1(11),4,6,8(12),9-pentaene]-3'-carboxylate | | Authors: | Igareta, N.V, Ward, T.R. | | Deposit date: | 2022-12-11 | | Release date: | 2023-12-20 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.486 Å) | | Cite: | streptavidin mutant S112I with an iridium catalyst for CH activation
To Be Published
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7KY7
 | | Structure of the S. cerevisiae phosphatidylcholine flippase Dnf2-Lem3 complex in the apo E1 state | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Alkylphosphocholine resistance protein LEM3, CHOLESTEROL, ... | | Authors: | Bai, L, You, Q, Jain, B.K, Duan, H.D, Kovach, A, Graham, T.R, Li, H. | | Deposit date: | 2020-12-07 | | Release date: | 2021-01-06 | | Method: | ELECTRON MICROSCOPY (3.08 Å) | | Cite: | Transport mechanism of P4 ATPase phosphatidylcholine flippases.
Elife, 9, 2020
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8BY0
 | | streptavidin mutant S112I K121R with an iridium catalyst for CH activation | | Descriptor: | SULFATE ION, Streptavidin, tert-butyl 7'-[5-[(3aS,4S,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-1-chloranyl-2,3,4,5,6-pentamethyl-spiro[1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane-1,2'-3-aza-1-azonia-2$l^{8}-iridatricyclo[6.3.1.0^{4,12}]dodeca-1(11),4,6,8(12),9-pentaene]-3'-carboxylate | | Authors: | Igareta, N.V, Ward, T.R. | | Deposit date: | 2022-12-11 | | Release date: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | streptavidin mutant S112I with an iridium catalyst for CH activation
To Be Published
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8C24
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