3HKQ
 
 | | Human carbonic anhydrase II in complex with 1-S-D-Galactopyranosylsulfonamide | | Descriptor: | (1S)-1,5-anhydro-1-sulfamoyl-D-galactitol, Carbonic anhydrase 2, GLYCEROL, ... | | Authors: | Paul, B, Poulsen, S.-A, Hofmann, A. | | Deposit date: | 2009-05-25 | | Release date: | 2009-10-13 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | S-glycosyl primary sulfonamides--a new structural class for selective inhibition of cancer-associated carbonic anhydrases.
J.Med.Chem., 52, 2009
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2G20
 | | Ketopiperazine-Based Renin Inhibitors: Optimization of the C Ring | | Descriptor: | N-(MORPHOLIN-4-YLSULFONYL)-L-PHENYLALANYL-3-(2-AMINO-1,3-THIAZOL-4-YL)-N-{(1R,2R,3S)-1-[(1R)-CYCLOHEX-3-EN-1-YLMETHYL]-2,3-DIHYDROXY-5-METHYLHEXYL}-L-ALANINAMIDE, Renin | | Authors: | Holsworth, D.D, Jalaiea, M, Zhanga, E, Mcconnella, P. | | Deposit date: | 2006-02-15 | | Release date: | 2006-06-20 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Ketopiperazine-based renin inhibitors: optimization of the
Bioorg.Med.Chem.Lett., 16, 2006
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3HMO
 | | Crystal structure of human Mps1 catalytic domain in complex with the inhibitor staurosporine | | Descriptor: | 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, Dual specificity protein kinase TTK, GLYCEROL, ... | | Authors: | Chu, M.L.H, Chavas, L.M.G, Williams, D.H, Tabernero, L, Eyers, P.A. | | Deposit date: | 2009-05-29 | | Release date: | 2010-02-02 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Biophysical and X-ray crystallographic analysis of Mps1 kinase inhibitor complexes.
Biochemistry, 49, 2010
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3D6Q
 | | The RNase A- 5'-Deoxy-5'-N-piperidinouridine complex | | Descriptor: | 1-(5-deoxy-5-piperidin-1-yl-alpha-L-arabinofuranosyl)pyrimidine-2,4(1H,3H)-dione, CITRATE ANION, Ribonuclease pancreatic | | Authors: | Leonidas, D.D, Zographos, S.E, Oikonomakos, N.G. | | Deposit date: | 2008-05-20 | | Release date: | 2009-02-10 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Morpholino, piperidino, and pyrrolidino derivatives of pyrimidine nucleosides as inhibitors of ribonuclease A: synthesis, biochemical, and crystallographic evaluation.
J.Med.Chem., 52, 2009
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2G22
 | | Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" Ring | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-ETHYL-5-[1-(3-METHOXYPROPYL)-1,2,3,4-TETRAHYDROQUINOLIN-7-YL]-N~4~-(2-PHENYLETHYL)PYRIMIDINE-2,4-DIAMINE, Renin | | Authors: | Holsworth, D.D, Jalaiea, M, Zhanga, E, Mcconnella, P. | | Deposit date: | 2006-02-15 | | Release date: | 2006-06-13 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" Ring
BIOORG.MED.CHEM.LETT., 16, 2006
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1RVW
 | | R STATE HUMAN HEMOGLOBIN [ALPHA V96W], CARBONMONOXY | | Descriptor: | CARBON MONOXIDE, HEMOGLOBIN, PHOSPHATE ION, ... | | Authors: | Puius, Y.A, Zou, M, Ho, N.T, Ho, C, Almo, S.C. | | Deposit date: | 1997-03-20 | | Release date: | 1998-03-25 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Novel water-mediated hydrogen bonds as the structural basis for the low oxygen affinity of the blood substitute candidate rHb(alpha 96Val-->Trp).
Biochemistry, 37, 1998
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3D6P
 | | RNase A- 5'-Deoxy-5'-N-morpholinouridine complex | | Descriptor: | 1-(5-deoxy-5-morpholin-4-yl-alpha-L-arabinofuranosyl)pyrimidine-2,4(1H,3H)-dione, Ribonuclease pancreatic | | Authors: | Leonidas, D.D, Zogrpahos, S.E, Oikonomakos, N.G. | | Deposit date: | 2008-05-20 | | Release date: | 2009-02-10 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Morpholino, piperidino, and pyrrolidino derivatives of pyrimidine nucleosides as inhibitors of ribonuclease A: synthesis, biochemical, and crystallographic evaluation.
J.Med.Chem., 52, 2009
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2H4Y
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1X2T
 | | Crystal Structure of Habu IX-bp at pH 6.5 | | Descriptor: | CALCIUM ION, Coagulation factor IX/X-binding protein A chain, Coagulation factor IX/factor X-binding protein B chain, ... | | Authors: | Suzuki, N, Fujimoto, Z, Morita, T, Fukamizu, A, Mizuno, H. | | Deposit date: | 2005-04-26 | | Release date: | 2005-10-04 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | pH-Dependent Structural Changes at Ca(2+)-binding sites of Coagulation Factor IX-binding Protein
J.Mol.Biol., 353, 2005
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1BS7
 | | PEPTIDE DEFORMYLASE AS NI2+ CONTAINING FORM | | Descriptor: | NICKEL (II) ION, PROTEIN (PEPTIDE DEFORMYLASE), SULFATE ION | | Authors: | Becker, A, Schlichting, I, Kabsch, W, Groche, D, Schultz, S, Wagner, A.F.V. | | Deposit date: | 1998-09-01 | | Release date: | 1999-08-27 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure of peptide deformylase and identification of the substrate binding site.
J.Biol.Chem., 273, 1998
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1WQO
 | | CONTRIBUTION OF HYDROGEN BONDS TO THE CONFORMATIONAL STABILITY OF HUMAN LYSOZYME | | Descriptor: | CHLORIDE ION, LYSOZYME, SODIUM ION | | Authors: | Yamagata, Y, Kubota, M, Sumikawa, Y, Funahashi, J, Fujii, S, Yutani, K. | | Deposit date: | 1998-02-09 | | Release date: | 1998-07-01 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Contribution of hydrogen bonds to the conformational stability of human lysozyme: calorimetry and X-ray analysis of six tyrosine --> phenylalanine mutants.
Biochemistry, 37, 1998
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1WQP
 | | CONTRIBUTION OF HYDROGEN BONDS TO THE CONFORMATIONAL STABILITY OF HUMAN LYSOZYME | | Descriptor: | CHLORIDE ION, LYSOZYME, SODIUM ION | | Authors: | Yamagata, Y, Kubota, M, Sumikawa, Y, Funahashi, J, Fujii, S, Yutani, K. | | Deposit date: | 1998-02-09 | | Release date: | 1998-07-01 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Contribution of hydrogen bonds to the conformational stability of human lysozyme: calorimetry and X-ray analysis of six tyrosine --> phenylalanine mutants.
Biochemistry, 37, 1998
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1S3H
 | | Propionibacterium shermanii transcarboxylase 5S subunit A59T | | Descriptor: | COBALT (II) ION, transcarboxylase 5S subunit | | Authors: | Hall, P.R, Zheng, R, Antony, L, Pusztai-Carey, M, Carey, P.R, Yee, V.C. | | Deposit date: | 2004-01-13 | | Release date: | 2004-09-07 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Transcarboxylase 5S structures: assembly and catalytic mechanism of a multienzyme complex subunit.
Embo J., 23, 2004
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4K2Y
 | | Crystal Structure of Human Chymase in Complex with Fragment Inhibitor 6-chloro-1,3-dihydro-2H-indol-2-one | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-chloro-1,3-dihydro-2H-indol-2-one, Chymase, ... | | Authors: | Collins, B.K, Padyana, A.K. | | Deposit date: | 2013-04-09 | | Release date: | 2013-05-29 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Discovery of Potent, Selective Chymase Inhibitors via Fragment Linking Strategies.
J.Med.Chem., 56, 2013
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1S8A
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2JUN
 | | Structure of the MID1 tandem B-boxes reveals an interaction reminiscent of intermolecular RING heterodimers | | Descriptor: | Midline-1, ZINC ION | | Authors: | Tao, H, Singireddy, S, Jakkidi, M, Simmons, B.N, Short, K.M, Cox, T.C, Massiah, M.A. | | Deposit date: | 2007-08-31 | | Release date: | 2008-03-04 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Structure of the MID1 Tandem B-Boxes Reveals an Interaction Reminiscent of Intermolecular Ring Heterodimers
Biochemistry, 47, 2008
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5DY5
 | | Crystal structure of human Sirt2 in complex with a SirReal probe fragment | | Descriptor: | (R,R)-2,3-BUTANEDIOL, 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | Authors: | Rumpf, T, Gerhardt, S, Einsle, O, Jung, M. | | Deposit date: | 2015-09-24 | | Release date: | 2016-01-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structure-Based Development of an Affinity Probe for Sirtuin 2.
Angew.Chem.Int.Ed.Engl., 55, 2016
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1JX6
 | | CRYSTAL STRUCTURE OF LUXP FROM VIBRIO HARVEYI COMPLEXED WITH AUTOINDUCER-2 | | Descriptor: | 3A-METHYL-5,6-DIHYDRO-FURO[2,3-D][1,3,2]DIOXABOROLE-2,2,6,6A-TETRAOL, CALCIUM ION, LUXP PROTEIN | | Authors: | Chen, X, Schauder, S, Potier, N, Van Dorsselaer, A, Pelczer, I, BassleR, B.L, Hughson, F.M. | | Deposit date: | 2001-09-05 | | Release date: | 2002-02-04 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural identification of a bacterial quorum-sensing signal containing boron.
Nature, 415, 2002
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8T9R
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1JVV
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8T1Y
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8T1Z
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8T24
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4XFC
 | | cysteine dioxygenase variant - Y157F at pH 6.2 unliganded | | Descriptor: | CHLORIDE ION, Cysteine dioxygenase type 1, FE (III) ION | | Authors: | Driggers, C.M, Karplus, P.A. | | Deposit date: | 2014-12-26 | | Release date: | 2016-02-24 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.351 Å) | | Cite: | Structure-Based Insights into the Role of the Cys-Tyr Crosslink and Inhibitor Recognition by Mammalian Cysteine Dioxygenase.
J. Mol. Biol., 428, 2016
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6GPC
 | | Crystal structure of the arginine-bound form of domain 1 from TmArgBP | | Descriptor: | ARGININE, Amino acid ABC transporter, periplasmic amino acid-binding protein,Amino acid ABC transporter, ... | | Authors: | Smaldone, G, Balasco, N, Ruggiero, A, Berisio, R, Vitagliano, L. | | Deposit date: | 2018-06-05 | | Release date: | 2018-08-15 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Domain communication in Thermotoga maritima Arginine Binding Protein unraveled through protein dissection.
Int. J. Biol. Macromol., 119, 2018
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