7MS7
 
 | | Structure of USP5 zinc-finger ubiquitin binding domain co-crystallized with (5-((4-(4-chlorophenyl)piperidin-1-yl)sulfonyl)picolinoyl)glycine | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, N-{5-[4-(4-chlorophenyl)piperidine-1-sulfonyl]pyridine-2-carbonyl}glycine, ... | | Authors: | Mann, M.K, Zepeda-Velazquez, C.A, Alvarez, H.G, Dong, A, Kiyota, T, Aman, A, Arrowsmith, C.H, Al-Awar, R, Harding, R.J, Schapira, M. | | Deposit date: | 2021-05-10 | | Release date: | 2021-06-09 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Structure-Activity Relationship of USP5 Inhibitors.
J.Med.Chem., 64, 2021
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7MS5
 | | Structure of USP5 zinc-finger ubiquitin binding domain co-crystallized with 4-(4-(4-(3,4-difluoro-phenyl)-piperidin-1-ylsulfonyl)-phenyl)-4-oxo-butanoic acid | | Descriptor: | 1,2-ETHANEDIOL, 4-{4-[4-(3,4-difluorophenyl)piperidine-1-sulfonyl]phenyl}-4-oxobutanoic acid, CALCIUM ION, ... | | Authors: | Mann, M.K, Zepeda-Velazquez, C.A, Alvarez, H.G, Dong, A, Kiyota, T, Aman, A, Arrowsmith, C.H, Al-Awar, R, Harding, R.J, Schapira, M, Structural Genomics Consortium (SGC) | | Deposit date: | 2021-05-10 | | Release date: | 2021-06-09 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Structure-Activity Relationship of USP5 Inhibitors.
J.Med.Chem., 64, 2021
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7MS6
 | | Structure of USP5 zinc-finger ubiquitin binding domain co-crystallized with (2-fluoro-4-((4-phenylpiperidin-1-yl)sulfonyl)benzoyl)glycine | | Descriptor: | 1,2-ETHANEDIOL, N-[2-fluoro-4-(4-phenylpiperidine-1-sulfonyl)benzoyl]glycine, SULFATE ION, ... | | Authors: | Mann, M.K, Zepeda-Velazquez, C.A, Alvarez, H.G, Dong, A, Kiyota, T, Aman, A, Arrowsmith, C.H, Al-Awar, R, Harding, R.J, Schapira, M. | | Deposit date: | 2021-05-10 | | Release date: | 2021-06-09 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structure-Activity Relationship of USP5 Inhibitors.
J.Med.Chem., 64, 2021
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1TO2
 | | crystal structure of the complex of subtilisin BPN' with chymotrypsin inhibitor 2 M59K, in pH 9 cryosoak | | Descriptor: | CALCIUM ION, CITRIC ACID, POLYETHYLENE GLYCOL (N=34), ... | | Authors: | Radisky, E.S, Kwan, G, Karen Lu, C.J, Koshland Jr, D.E. | | Deposit date: | 2004-06-11 | | Release date: | 2004-11-09 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Binding, Proteolytic, and Crystallographic Analyses of Mutations at the Protease-Inhibitor Interface of the Subtilisin BPN'/Chymotrypsin Inhibitor 2 Complex(,).
Biochemistry, 43, 2004
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1TN5
 | | Structure of bacterorhodopsin mutant K41P | | Descriptor: | Bacteriorhodopsin, RETINAL | | Authors: | Yohannan, S, Yang, D, Faham, S, Boulting, G, Whitelegge, J, Bowie, J.U. | | Deposit date: | 2004-06-11 | | Release date: | 2004-10-19 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Proline substitutions are not easily accommodated in a membrane protein
J.Mol.Biol., 341, 2004
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1TO1
 | | crystal structure of the complex of subtilisin BPN' with chymotrypsin inhibitor 2 Y61A mutant | | Descriptor: | CALCIUM ION, CITRIC ACID, PENTAETHYLENE GLYCOL, ... | | Authors: | Radisky, E.S, Kwan, G, Karen Lu, C.J, Koshland Jr, D.E. | | Deposit date: | 2004-06-11 | | Release date: | 2004-11-09 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Binding, Proteolytic, and Crystallographic Analyses of Mutations at the Protease-Inhibitor Interface of the Subtilisin BPN'/Chymotrypsin Inhibitor 2 Complex(,).
Biochemistry, 43, 2004
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6NV7
 | | BACE1 in complex with a macrocyclic inhibitor | | Descriptor: | (E)-N-(2-methylpropylidene)-N~2~-{[(4S)-17-[(methylsulfonyl)(propyl)amino]-2-oxo-3-azatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-hexaen-4-yl]methyl}-D-threoninamide, Beta-secretase 1 | | Authors: | Yen, Y.C, Ghosh, A.K, Mesecar, A.D. | | Deposit date: | 2019-02-04 | | Release date: | 2019-10-09 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.132 Å) | | Cite: | Development of an Efficient Enzyme Production and Structure-Based Discovery Platform for BACE1 Inhibitors.
Biochemistry, 58, 2019
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2OTY
 | | 1,2-dichlorobenzene in complex with T4 Lysozyme L99A | | Descriptor: | 1,2-DICHLOROBENZENE, BETA-MERCAPTOETHANOL, Lysozyme, ... | | Authors: | Graves, A.P, Shoichet, B.K. | | Deposit date: | 2007-02-09 | | Release date: | 2007-08-07 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Predicting absolute ligand binding free energies to a simple model site.
J.Mol.Biol., 371, 2007
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1TN0
 | | Structure of bacterorhodopsin mutant A51P | | Descriptor: | Bacteriorhodopsin, RETINAL | | Authors: | Yohannan, S, Yang, D, Faham, S, Boulting, G, Whitelegge, J, Bowie, J.U. | | Deposit date: | 2004-06-11 | | Release date: | 2004-10-12 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Proline substitutions are not easily accommodated in a membrane protein
J.Mol.Biol., 341, 2004
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2OU0
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7MLM
 | | Crystal structure of mouse TLR4/MD-2 in complex with sulfatides | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Su, L, Beutler, B. | | Deposit date: | 2021-04-28 | | Release date: | 2021-07-28 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.104 Å) | | Cite: | Sulfatides are endogenous ligands for the TLR4-MD-2 complex.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7MF4
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7M5O
 | | Cryo-EM structure of CasPhi-2 (Cas12j) bound to crRNA | | Descriptor: | CasPhi, ZINC ION, crRNA | | Authors: | Pausch, P, Soczek, K, Nogales, E, Doudna, J. | | Deposit date: | 2021-03-24 | | Release date: | 2021-08-04 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.54 Å) | | Cite: | DNA interference states of the hypercompact CRISPR-Cas Phi effector.
Nat.Struct.Mol.Biol., 28, 2021
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2QI4
 | | Crystal structure of protease inhibitor, MIT-2-AD93 in complex with wild type HIV-1 protease | | Descriptor: | ACETATE ION, N-[(1S,2R)-3-{(1,3-BENZOTHIAZOL-6-YLSULFONYL)[(2S)-2-METHYLBUTYL]AMINO}-1-BENZYL-2-HYDROXYPROPYL]-3-HYDROXYBENZAMIDE, PHOSPHATE ION, ... | | Authors: | Nalam, M.N.L, Schiffer, C.A. | | Deposit date: | 2007-07-03 | | Release date: | 2008-04-22 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | HIV-1 protease inhibitors from inverse design in the substrate envelope exhibit subnanomolar binding to drug-resistant variants.
J.Am.Chem.Soc., 130, 2008
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1VEB
 | | Crystal Structure of Protein Kinase A in Complex with Azepane Derivative 5 | | Descriptor: | (3R,4R)-N-{4-[4-(2-FLUORO-6-HYDROXY-3-METHOXY-BENZOYL)-BENZYLOXY]-AZEPAN-3-YL}-ISONICOTINAMIDE, cAMP-dependent protein kinase inhibitor, alpha form, ... | | Authors: | Breitenlechner, C.B, Wegge, T, Berillon, L, Graul, K, Marzenell, K, Friebe, W.-G, Thomas, U, Schumacher, R, Huber, R, Engh, R.A, Masjost, B. | | Deposit date: | 2004-03-29 | | Release date: | 2005-03-29 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.89 Å) | | Cite: | Structure-based optimization of novel azepane derivatives as PKB inhibitors
J.Med.Chem., 47, 2004
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1TM4
 | | crystal structure of the complex of subtilsin BPN'with chymotrypsin inhibitor 2 M59G mutant | | Descriptor: | CALCIUM ION, CITRIC ACID, PENTAETHYLENE GLYCOL, ... | | Authors: | Radisky, E.S, Kwan, G, Karen Lu, C.J, Koshland Jr, D.E. | | Deposit date: | 2004-06-10 | | Release date: | 2004-11-09 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Binding, Proteolytic, and Crystallographic Analyses of Mutations at the Protease-Inhibitor Interface of the Subtilisin BPN'/Chymotrypsin Inhibitor 2 Complex(,).
Biochemistry, 43, 2004
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1SXA
 | | CRYSTAL STRUCTURE OF REDUCED BOVINE ERYTHROCYTE SUPEROXIDE DISMUTASE AT 1.9 ANGSTROMS RESOLUTION | | Descriptor: | COPPER (II) ION, SUPEROXIDE DISMUTASE, ZINC ION | | Authors: | Rypniewski, W.R, Mangani, S, Bruni, B, Orioli, P, Casati, M, Wilson, K.S. | | Deposit date: | 1995-03-17 | | Release date: | 1995-06-03 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of reduced bovine erythrocyte superoxide dismutase at 1.9 A resolution.
J.Mol.Biol., 251, 1995
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2QI3
 | | Crystal structure of protease inhibitor, MIT-2-AD94 in complex with wild type HIV-1 protease | | Descriptor: | (2S)-N-[(1S,2R)-3-{(1,3-BENZOTHIAZOL-6-YLSULFONYL)[(2S)-2-METHYLBUTYL]AMINO}-1-BENZYL-2-HYDROXYPROPYL]-2-HYDROXY-3-METHYLBUTANAMIDE, PHOSPHATE ION, Protease | | Authors: | Nalam, M.N.L, Schiffer, C.A. | | Deposit date: | 2007-07-03 | | Release date: | 2008-04-22 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | HIV-1 protease inhibitors from inverse design in the substrate envelope exhibit subnanomolar binding to drug-resistant variants.
J.Am.Chem.Soc., 130, 2008
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2QI5
 | | Crystal structure of protease inhibitor, MIT-2-KC08 in complex with wild type HIV-1 protease | | Descriptor: | N~2~-ACETYL-N-{(1S,2R)-3-[(1,3-BENZOTHIAZOL-6-YLSULFONYL)(PENTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYL}-L-VALINAMIDE, PHOSPHATE ION, Protease | | Authors: | Schiffer, C.A, Nalam, M.N.L. | | Deposit date: | 2007-07-03 | | Release date: | 2008-04-22 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | HIV-1 protease inhibitors from inverse design in the substrate envelope exhibit subnanomolar binding to drug-resistant variants.
J.Am.Chem.Soc., 130, 2008
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1SSZ
 | | Conformational Mapping of Mini-B: An N-terminal/C-terminal Construct of Surfactant Protein B Using 13C-Enhanced Fourier Transform Infrared (FTIR) Spectroscopy | | Descriptor: | Pulmonary surfactant-associated protein B | | Authors: | Waring, A.J, Walther, F.J, Gordon, L.M, Hernandez-Juviel, J.M, Hong, T, Sherman, M.A, Alonso, C, Alig, T, Braun, A, Bacon, D, Zasadzinski, J.A. | | Deposit date: | 2004-03-24 | | Release date: | 2004-06-15 | | Last modified: | 2019-04-24 | | Method: | INFRARED SPECTROSCOPY | | Cite: | The role of charged amphipathic helices in the structure and function of surfactant protein B.
J.Pept.Res., 66, 2005
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1SVH
 | | Crystal Structure of Protein Kinase A in Complex with Azepane Derivative 8 | | Descriptor: | (3R,4S)-N-(4-{TRANS-2-[4-(2-FLUORO-6-HYDROXY-3-METHOXY-BENZOYL)-PHENYL]-VINYL}-AZEPAN-3-YL)-ISONICOTINAMIDE, cAMP-dependent protein kinase inhibitor, alpha form, ... | | Authors: | Breitenlechner, C.B, Wegge, T, Berillon, L, Graul, K, Marzenell, K, Friebe, W.G, Thomas, U, Schumacher, R, Huber, R, Engh, R.A, Masjost, B. | | Deposit date: | 2004-03-29 | | Release date: | 2005-03-29 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure-based optimization of novel azepane derivatives as PKB inhibitors
J.Med.Chem., 47, 2004
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2QI7
 | | Crystal structure of protease inhibitor, MIT-2-AD86 in complex with wild type HIV-1 protease | | Descriptor: | ACETATE ION, N-[(1S,2R)-1-BENZYL-2-HYDROXY-3-{[(4-METHOXYPHENYL)SULFONYL][(2S)-2-METHYLBUTYL]AMINO}PROPYL]-4-OXOHEXANAMIDE, PHOSPHATE ION, ... | | Authors: | Schiffer, C.A, Nalam, M.N.L. | | Deposit date: | 2007-07-03 | | Release date: | 2008-04-22 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | HIV-1 protease inhibitors from inverse design in the substrate envelope exhibit subnanomolar binding to drug-resistant variants.
J.Am.Chem.Soc., 130, 2008
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2QI6
 | | Crystal structure of protease inhibitor, MIT-2-KB98 in complex with wild type HIV-1 protease | | Descriptor: | N-{(1S,2R)-3-[(1,3-BENZOTHIAZOL-6-YLSULFONYL)(ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYL}-3-HYDROXYBENZAMIDE, PHOSPHATE ION, Protease | | Authors: | Schiffer, C.A, Nalam, M.N.L. | | Deposit date: | 2007-07-03 | | Release date: | 2008-04-22 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | HIV-1 protease inhibitors from inverse design in the substrate envelope exhibit subnanomolar binding to drug-resistant variants.
J.Am.Chem.Soc., 130, 2008
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1SVG
 | | Crystal Structure of Protein Kinase A in Complex with Azepane Derivative 4 | | Descriptor: | CAMP-DEPENDENT PROTEIN KINASE INHIBITOR, ALPHA FORM, N-{(3R,4R)-4-[4-(2-FLUORO-6-HYDROXY-3-METHOXY-BENZOYL)-BENZOYLAMINO]-AZEPAN-3-YL}ISONICOTINAMIDE, ... | | Authors: | Breitenlechner, C.B, Wegge, T, Berillon, L, Graul, K, Marzenell, K, Friebe, W.-G, Thomas, U, Schumacher, R, Huber, R, Engh, R.A, Masjost, B. | | Deposit date: | 2004-03-29 | | Release date: | 2005-03-29 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Structure-based optimization of novel azepane derivatives as PKB inhibitors
J.Med.Chem., 47, 2004
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1SXC
 | | CRYSTAL STRUCTURE OF REDUCED BOVINE ERYTHROCYTE SUPEROXIDE DISMUTASE AT 1.9 ANGSTROMS RESOLUTION | | Descriptor: | COPPER (II) ION, SUPEROXIDE DISMUTASE, ZINC ION | | Authors: | Rypniewski, W.R, Mangani, S, Bruni, B, Orioli, P, Casati, M, Wilson, K.S. | | Deposit date: | 1995-03-17 | | Release date: | 1995-06-03 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of reduced bovine erythrocyte superoxide dismutase at 1.9 A resolution.
J.Mol.Biol., 251, 1995
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