4MC1
 
 | | HIV protease in complex with SA526P | | Descriptor: | (3S)-tetrahydrofuran-3-yl {(2S,3R)-4-[(4S)-4-tert-butyl-7-fluoro-1,1-dioxido-4,5-dihydro-1,2-benzothiazepin-2(3H)-yl]-3-hydroxy-1-phenylbutan-2-yl}carbamate, CHLORIDE ION, Protease | | Authors: | Ganguly, A.K, Alluri, S.S, Wang, C, Antropow, A, White, A, Caroccia, D, Biswas, D, Kang, E, Zhang, L, Carroll, S.S, Burlein, C, Munshi, V, Orth, P, Strickland, C. | | Deposit date: | 2013-08-21 | | Release date: | 2014-04-02 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.39 Å) | | Cite: | Structural Optimization of Cyclic Sulfonamide based Novel HIV-1 Protease Inhibitors to Pico Molar Affinities guided by X-ray Crystallographic Analysis
Tetrahedron, 2014
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3EDZ
 | | Crystal structure of catalytic domain of TACE with hydroxamate inhibitor | | Descriptor: | ADAM 17, CITRIC ACID, N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-methyl-L-valyl-N-(2-aminoethyl)-L-alaninamide, ... | | Authors: | Mazzola, R.D, Zhu, Z, Sinning, L, McKittrick, B, Lavey, B, Spitler, J, Kozlowski, J, Neng-Yang, S, Zhou, G, Guo, Z, Orth, P, Madison, V, Sun, J, Lundell, D, Niu, X. | | Deposit date: | 2008-09-03 | | Release date: | 2008-09-23 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Discovery of novel hydroxamates as highly potent tumor necrosis factor-alpha converting enzyme inhibitors. Part II: optimization of the S3' pocket.
Bioorg.Med.Chem.Lett., 18, 2008
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3JZI
 | | Crystal structure of biotin carboxylase from E. Coli in complex with benzimidazole series | | Descriptor: | 7-amino-2-[(2-chlorobenzyl)amino]-1-{[(1S,2S)-2-hydroxycycloheptyl]methyl}-1H-benzimidazole-5-carboxamide, Biotin carboxylase | | Authors: | Cheng, C, Shipps, G.W, Yang, Z, Sun, B, Kawahata, N, Soucy, K, Soriano, A, Orth, P, Xiao, L, Mann, P, Black, T. | | Deposit date: | 2009-09-23 | | Release date: | 2009-11-03 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Discovery and optimization of antibacterial AccC inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
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1CH0
 | | RNASE T1 VARIANT WITH ALTERED GUANINE BINDING SEGMENT | | Descriptor: | CALCIUM ION, CHLORIDE ION, GUANOSINE-2'-MONOPHOSPHATE, ... | | Authors: | Hoeschler, K, Hoier, H, Orth, P, Hubner, B, Saenger, W, Hahn, U. | | Deposit date: | 1999-03-30 | | Release date: | 1999-12-22 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural analysis of an RNase T1 variant with an altered guanine binding segment.
J.Mol.Biol., 294, 1999
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1A9E
 | | DECAMER-LIKE CONFORMATION OF A NANO-PEPTIDE BOUND TO HLA-B3501 DUE TO NONSTANDARD POSITIONING OF THE C-TERMINUS | | Descriptor: | BETA-2-MICROGLOBULIN, HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, B-35 B*3501 (ALPHA CHAIN), ... | | Authors: | Menssen, R, Orth, P, Ziegler, A, Saenger, W. | | Deposit date: | 1998-04-05 | | Release date: | 1998-10-21 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Decamer-like conformation of a nona-peptide bound to HLA-B*3501 due to non-standard positioning of the C terminus.
J.Mol.Biol., 285, 1999
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1A9B
 | | DECAMER-LIKE CONFORMATION OF A NANO-PEPTIDE BOUND TO HLA-B3501 DUE TO NONSTANDARD POSITIONING OF THE C-TERMINUS | | Descriptor: | BETA-2-MICROGLOBULIN, HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, B-35 B*3501 (ALPHA CHAIN), ... | | Authors: | Menssen, R, Orth, P, Ziegler, A, Saenger, W. | | Deposit date: | 1998-04-03 | | Release date: | 1998-10-21 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Decamer-like conformation of a nona-peptide bound to HLA-B*3501 due to non-standard positioning of the C terminus.
J.Mol.Biol., 285, 1999
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1CG9
 | | COMPLEX RECOGNITION OF THE SUPERTYPIC BW6-DETERMINANT ON HLA-B AND-C MOLECULES BY THE MONOCLONAL ANTIBODY SFR8-B6 | | Descriptor: | PROTEIN (BETA-2-MICROGLOBULIN), PROTEIN (EBNA-6 NUCLEAR PROTEIN (EBNA-3C) (EBNA-4B)), PROTEIN (HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, ... | | Authors: | Menssen, R, Orth, P, Ziegler, A, Saenger, W. | | Deposit date: | 1999-03-25 | | Release date: | 2003-11-18 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Complex Recognition of the Supertypic Bw6-Determinant on HLA-B and-C Molecules
by the Monoclonal Antibody SFR8-B6
To be Published
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3MKB
 | | Crystal structure determination of Shortfin Mako (Isurus oxyrinchus) hemoglobin at 1.9 Angstrom resolution | | Descriptor: | Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Ramesh, P, Sundaresan, S.S, Sathya Moorthy, P, Balasubramanian, M, Ponnuswamy, M.N. | | Deposit date: | 2010-04-14 | | Release date: | 2011-01-26 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural studies of haemoglobin from pisces species shortfin mako shark (Isurus oxyrinchus) at 1.9 angstrom resolution
J.SYNCHROTRON RADIAT., 20, 2013
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2RI4
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4BEV
 | | ATPase crystal structure with bound phosphate analogue | | Descriptor: | COPPER EFFLUX ATPASE, MAGNESIUM ION, TRIFLUOROMAGNESATE | | Authors: | Mattle, D, Drachmann, N.D, Liu, X.Y, Gourdon, P, Pedersen, B.P, Morth, P, Wang, J, Nissen, P. | | Deposit date: | 2013-03-12 | | Release date: | 2014-04-02 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3.583 Å) | | Cite: | ATPase Crystal Structure with Bound Phosphate Analogue
To be Published
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2YKH
 | | Sensor region of a sensor histidine kinase | | Descriptor: | PROBABLE SENSOR HISTIDINE KINASE PDTAS | | Authors: | Preu, J, Panjikar, S, Morth, P, Jaiswal, R, Karunakar, P, Tucker, P.A. | | Deposit date: | 2011-05-27 | | Release date: | 2012-06-06 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.78 Å) | | Cite: | The Sensor Region of the Ubiquitous Cytosolic Sensor Kinase, Pdtas, Contains Pas and Gaf Domain Sensing Modules.
J.Struct.Biol., 177, 2012
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2YKF
 | | Sensor region of a sensor histidine kinase | | Descriptor: | BROMIDE ION, PROBABLE SENSOR HISTIDINE KINASE PDTAS, SULFATE ION | | Authors: | Preu, J, Panjikar, S, Morth, P, Jaiswal, R, Karunakar, P, Tucker, P.A. | | Deposit date: | 2011-05-26 | | Release date: | 2012-06-06 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The Sensor Region of the Ubiquitous Cytosolic Sensor Kinase, Pdtas, Contains Pas and Gaf Domain Sensing Modules.
J.Struct.Biol., 177, 2012
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3CY5
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3D4X
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1H15
 | | X-ray crystal structure of HLA-DRA1*0101/DRB5*0101 complexed with a peptide from Epstein Barr Virus DNA polymerase | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DNA POLYMERASE, ... | | Authors: | Lang, H, Jacobsen, H, Ikemizu, S, Andersson, C, Harlos, K, Madsen, L, Hjorth, P, Sondergaard, L, Svejgaard, A, Wucherpfennig, K, Stuart, D.I, Bell, J.I, Jones, E.Y, Fugger, L. | | Deposit date: | 2002-07-02 | | Release date: | 2002-10-03 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | A Functional and Structural Basis for Tcr Cross-Reactivity in Multiple Sclerosis
Nat.Immunol., 3, 2002
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1HYO
 | | CRYSTAL STRUCTURE OF FUMARYLACETOACETATE HYDROLASE COMPLEXED WITH 4-(HYDROXYMETHYLPHOSPHINOYL)-3-OXO-BUTANOIC ACID | | Descriptor: | 4-[HYDROXY-[METHYL-PHOSPHINOYL]]-3-OXO-BUTANOIC ACID, ACETATE ION, CALCIUM ION, ... | | Authors: | Bateman, R.L, Bhanumoorthy, P, Witte, J.F, McClard, R.W, Grompe, M, Timm, D.E. | | Deposit date: | 2001-01-21 | | Release date: | 2001-02-14 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Mechanistic inferences from the crystal structure of fumarylacetoacetate hydrolase with a bound phosphorus-based inhibitor.
J.Biol.Chem., 276, 2001
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3D1A
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1QCN
 | | CRYSTAL STRUCTURE OF FUMARYLACETOACETATE HYDROLASE | | Descriptor: | ACETATE ION, CALCIUM ION, FUMARYLACETOACETATE HYDROLASE, ... | | Authors: | Timm, D.E, Mueller, H.A, Bhanumoorthy, P, Harp, J.M, Bunick, G.J. | | Deposit date: | 1999-05-14 | | Release date: | 2000-06-07 | | Last modified: | 2022-12-21 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure and mechanism of a carbon-carbon bond hydrolase.
Structure Fold.Des., 7, 1999
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1QQJ
 | | CRYSTAL STRUCTURE OF MOUSE FUMARYLACETOACETATE HYDROLASE REFINED AT 1.55 ANGSTROM RESOLUTION | | Descriptor: | ACETATE ION, CACODYLATE ION, CALCIUM ION, ... | | Authors: | Timm, D.E, Mueller, H.A, Bhanumoorthy, P, Harp, J.M, Bunick, G.J. | | Deposit date: | 1999-06-07 | | Release date: | 2000-06-07 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Crystal structure and mechanism of a carbon-carbon bond hydrolase.
Structure Fold.Des., 7, 1999
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1QCO
 | | CRYSTAL STRUCTURE OF FUMARYLACETOACETATE HYDROLASE COMPLEXED WITH FUMARATE AND ACETOACETATE | | Descriptor: | ACETOACETIC ACID, CALCIUM ION, FUMARIC ACID, ... | | Authors: | Timm, D.E, Mueller, H.A, Bhanumoorthy, P, Harp, J.M, Bunick, G.J. | | Deposit date: | 1999-05-17 | | Release date: | 2000-06-07 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure and mechanism of a carbon-carbon bond hydrolase.
Structure Fold.Des., 7, 1999
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1TUX
 | | HIGH RESOLUTION CRYSTAL STRUCTURE OF A THERMOSTABLE XYLANASE FROM THERMOASCUS AURANTIACUS | | Descriptor: | XYLANASE | | Authors: | Natesh, R, Bhanumoorthy, P, Vithayathil, P.J, Sekar, K, Ramakumar, S, Viswamitra, M.A. | | Deposit date: | 1998-10-29 | | Release date: | 1999-07-22 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure at 1.8 A resolution and proposed amino acid sequence of a thermostable xylanase from Thermoascus aurantiacus.
J.Mol.Biol., 288, 1999
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3GQP
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3GYS
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3GQR
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2XSE
 | | The structural basis for recognition of J-base containing DNA by a novel DNA-binding domain in JBP1 | | Descriptor: | GLYCEROL, NITRATE ION, THYMINE DIOXYGENASE JBP1 | | Authors: | Heidebrecht, T, Christodoulou, E, Chalmers, M.J, Jan, S, ter Riete, B, Grover, R.K, Joosten, R.P, Littler, D, vanLuenen, H, Griffin, P.R, Wentworth, P, Borst, P, Perrakis, A. | | Deposit date: | 2010-09-28 | | Release date: | 2011-03-30 | | Last modified: | 2011-08-03 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The Structural Basis for Recognition of Base J Containing DNA by a Novel DNA Binding Domain in Jbp1.
Nucleic Acids Res., 39, 2011
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