2Q1B
 
 | | Carbonic Anhydrase II in Complex with Saccharin | | Descriptor: | 1,2-BENZISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDE, BENZOIC ACID, Carbonic anhydrase 2, ... | | Authors: | Klebe, G, Heine, A, Koehler, K. | | Deposit date: | 2007-05-24 | | Release date: | 2007-09-04 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Saccharin Inhibits Carbonic Anhydrases: Possible Explanation for its Unpleasant Metallic Aftertaste.
Angew.Chem.Int.Ed.Engl., 46, 2007
|
|
4FE6
 | | Crystal Structure of HIV-1 Protease in Complex with an enamino-oxindole inhibitor | | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[({(3Z)-3-[1-(methylamino)ethylidene]-2-oxo-2,3-dihydro-1H-indol-5-yl}sulfonyl)(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate, HIV protease | | Authors: | Silva, A.M, Eissenstat, M, Guerassina, T, Gulnik, S, Afonina, E, Yu, B, Erickson, J, Ludke, D, Yokoe, H. | | Deposit date: | 2012-05-29 | | Release date: | 2012-07-18 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Enamino-oxindole HIV protease inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
|
|
1IN3
 | | Peptide Antagonist of IGFBP1, (i,i+8) Covalently Restrained Analog | | Descriptor: | IGFBP-1 antagonist, PENTANE | | Authors: | Skelton, N.J, Chen, Y.M, Dubree, N, Quan, C, Jackson, D.Y, Cochran, A.G, Zobel, K, Deshayes, K, Baca, M, Pisabarro, M.T, Lowman, H.B. | | Deposit date: | 2001-05-11 | | Release date: | 2001-05-30 | | Last modified: | 2024-11-06 | | Method: | SOLUTION NMR | | Cite: | Structure-function analysis of a phage display-derived peptide that binds to insulin-like growth factor binding protein 1.
Biochemistry, 40, 2001
|
|
9PGS
 | | HIV Capsid Hexamer bound to Compound 6 | | Descriptor: | 3,5-difluoro-Nalpha-[(5-hydroxy-1H-indol-3-yl)acetyl]-N-(4-methoxyphenyl)-N-methyl-L-phenylalaninamide, HIV-1 capsid | | Authors: | Somoza, J.R, Anderson, R.L, Villasenor, A.G, Ferrao, R.D. | | Deposit date: | 2025-07-08 | | Release date: | 2025-10-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Discovery of Lenacapavir: First-in-Class Twice-Yearly Capsid Inhibitor for HIV-1 Treatment and Pre-exposure Prophylaxis
J.Med.Chem., 2025
|
|
1J42
 | | Crystal Structure of Human DJ-1 | | Descriptor: | RNA-binding protein regulatory subunit | | Authors: | Cha, S.S. | | Deposit date: | 2003-02-26 | | Release date: | 2004-02-03 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structures of human DJ-1 and Escherichia coli Hsp31, which share an evolutionarily conserved domain.
J.Biol.Chem., 278, 2003
|
|
5VTR
 | |
4B3N
 | | Crystal structure of rhesus TRIM5alpha PRY/SPRY domain | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MALTOSE-BINDING PERIPLASMIC PROTEIN, TRIPARTITE MOTIF-CONTAINING PROTEIN 5, ... | | Authors: | Yang, H, Ji, X, Zhao, Q, Xiong, Y. | | Deposit date: | 2012-07-25 | | Release date: | 2012-10-24 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Structural Insight Into HIV-1 Capsid Recognition by Rhesus Trim5Alpha
Proc.Natl.Acad.Sci.USA, 109, 2012
|
|
1PMX
 | | INSULIN-LIKE GROWTH FACTOR-I BOUND TO A PHAGE-DERIVED PEPTIDE | | Descriptor: | IGF-1 ANTAGONIST F1-1, Insulin-like growth factor IB | | Authors: | Skelton, N.J. | | Deposit date: | 2003-06-11 | | Release date: | 2003-10-21 | | Last modified: | 2024-11-20 | | Method: | SOLUTION NMR | | Cite: | Complex with a Phage Display-Derived Peptide Provides Insight into the Function of Insulin-like Growth Factor I
Biochemistry, 42, 2003
|
|
2KYE
 | | Solution structure of the pseudouridine modified P6.1 hairpin of human telomerase RNA | | Descriptor: | RNA (5'-R(*GP*AP*GP*AP*GP*(PSU)P*(PSU)P*GP*GP*GP*CP*(PSU)P*CP*(PSU)P*C)-3') | | Authors: | Kim, N.-K, Theimer, C.A, Mitchell, J.R, Collins, K, Feigon, J. | | Deposit date: | 2010-05-25 | | Release date: | 2010-06-30 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Effect of pseudouridylation on the structure and activity of the catalytically essential P6.1 hairpin in human telomerase RNA.
Nucleic Acids Res., 38, 2010
|
|
4B7Z
 | | Mus musculus Acetylcholinesterase in complex with N-(2-Diethylamino-ethyl)-1-(4-methylphenyl)-methanesulfonamide | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Andersson, C.D, Forsgren, N, Akfur, C, Allgardsson, A, Berg, L, Qian, W, Ekstrom, F, Linusson, A. | | Deposit date: | 2012-08-24 | | Release date: | 2013-09-04 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Divergent Structure-Activity Relationships of Structurally Similar Acetylcholinesterase Inhibitors.
J.Med.Chem., 56, 2013
|
|
3MHR
 | | 14-3-3 sigma in complex with YAP pS127-peptide | | Descriptor: | 14-3-3 protein sigma, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Schumacher, B, Skwarczynska, M, Rose, R, Ottmann, C. | | Deposit date: | 2010-04-08 | | Release date: | 2010-09-15 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Structure of a 14-3-3[sigma]-YAP phosphopeptide complex at 1.15 A resolution
Acta Crystallogr.,Sect.F, 66, 2010
|
|
3PTK
 | | The crystal structure of rice (Oryza sativa L.) Os4BGlu12 | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-glucosidase Os4BGlu12, ZINC ION | | Authors: | Sansenya, S, Opassiri, R, Kuaprasert, B, Chen, C.J, Ketudat Cairns, J.R. | | Deposit date: | 2010-12-03 | | Release date: | 2011-05-18 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | The crystal structure of rice (Oryza sativa L.) Os4BGlu12, an oligosaccharide and tuberonic acid glucoside-hydrolyzing beta-glucosidase with significant thioglucohydrolase activity
Arch.Biochem.Biophys., 510, 2011
|
|
2O63
 | | Crystal structure of Pim1 with Myricetin | | Descriptor: | 3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE, IMIDAZOLE, Proto-oncogene serine/threonine-protein kinase Pim-1 | | Authors: | Holder, S, Zemskova, M, Zhang, C, Tabrizizad, M, Bremer, R, Neidigh, J.W, Lilly, M.B. | | Deposit date: | 2006-12-06 | | Release date: | 2007-02-13 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Characterization of a potent and selective small-molecule inhibitor of the PIM1 kinase.
Mol.Cancer Ther., 6, 2007
|
|
1PVN
 | | The crystal structure of the complex between IMP dehydrogenase catalytic domain and a transition state analogue MZP | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-CARBAMOYL-1-BETA-D-RIBOFURANOSYL-IMIDAZOLIUM-5-OLATE-5'-PHOSPHATE, Inosine-5'-monophosphate dehydrogenase, ... | | Authors: | Gan, L, Seyedsayamdost, M, Shuto, S, Matsuda, A, Petsko, G.A, Hedstrom, L. | | Deposit date: | 2003-06-27 | | Release date: | 2003-07-22 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The Immunosuppressive Agent Mizoribine Monophosphate Forms a Transition State Analogue Complex with Inosine Monophosphate Dehydrogenase
Biochemistry, 42, 2003
|
|
2CY3
 | |
1PXJ
 | | HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR 4-(2,4-Dimethyl-thiazol-5-yl)-pyrimidin-2-ylamine | | Descriptor: | 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)PYRIMIDIN-2-AMINE, Cell division protein kinase 2 | | Authors: | Wu, S.Y, McNae, I, Kontopidis, G, McClue, S.J, McInnes, C, Stewart, K.J, Wang, S, Zheleva, D.I, Marriage, H, Lane, D.P, Taylor, P, Fischer, P.M, Walkinshaw, M.D. | | Deposit date: | 2003-07-04 | | Release date: | 2003-12-09 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Discovery of a novel family of CDK inhibitors with the program LIDAEUS: structural basis for ligand-induced disordering of the activation loop
Structure, 11, 2003
|
|
4KX3
 | |
4HB4
 | |
3WH0
 | | Structure of Pin1 Complex with 18-crown-6 | | Descriptor: | 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, ... | | Authors: | Lee, C.C, Liu, C.I, Jeng, W.Y, Wang, A.H.J. | | Deposit date: | 2013-08-20 | | Release date: | 2014-10-15 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crowning proteins: modulating the protein surface properties using crown ethers.
Angew.Chem.Int.Ed.Engl., 53, 2014
|
|
1QBZ
 | | THE CRYSTAL STRUCTURE OF THE SIV GP41 ECTODOMAIN AT 1.47 A | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, CHLORIDE ION, MERCURY (II) ION, ... | | Authors: | Yang, Z.-N, Mueser, T.C, Kaufman, J, Stahl, S.J, Wingfield, P.T, Hyde, C.C. | | Deposit date: | 1999-04-28 | | Release date: | 1999-05-17 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | The crystal structure of the SIV gp41 ectodomain at 1.47 A resolution.
J.Struct.Biol., 126, 1999
|
|
3WEX
 | | Crystal structure of HLA-DP5 in complex with Cry j 1-derived peptide (residues 214-222) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, MHC class II antigen | | Authors: | Kusano, S, Kukimoto-Niino, M, Shirouzu, M, Yokoyama, S. | | Deposit date: | 2013-07-16 | | Release date: | 2014-07-23 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural basis for the specific recognition of the major antigenic peptide from the Japanese cedar pollen allergen Cry j 1 by HLA-DP5
J. Mol. Biol., 426, 2014
|
|
2O65
 | | Crystal structure of Pim1 with Pentahydroxyflavone | | Descriptor: | 5,7-DIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE, IMIDAZOLE, Proto-oncogene serine/threonine-protein kinase Pim-1 | | Authors: | Holder, S, Zemskova, M, Zhang, C, Tabrizizad, M, Bremer, R, Neidigh, J.W, Lilly, M.B. | | Deposit date: | 2006-12-06 | | Release date: | 2007-02-13 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Characterization of a potent and selective small-molecule inhibitor of the PIM1 kinase.
Mol.Cancer Ther., 6, 2007
|
|
2D1N
 | | Collagenase-3 (MMP-13) complexed to a hydroxamic acid inhibitor | | Descriptor: | CALCIUM ION, Collagenase 3, SM-25453, ... | | Authors: | Kohno, T, Hochigai, H, Yamashita, E, Tsukihara, T, Kanaoka, M. | | Deposit date: | 2005-08-29 | | Release date: | 2006-06-27 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | Crystal structures of the catalytic domain of human stromelysin-1 (MMP-3) and collagenase-3 (MMP-13) with a hydroxamic acid inhibitor SM-25453
Biochem.Biophys.Res.Commun., 344, 2006
|
|
5VGJ
 | | Crystal Structure of the Human Fab VRC38.01, an HIV-1 V1V2-Directed Neutralizing Antibody Isolated from Donor N90, bound to a scaffolded WITO V1V2 domain | | Descriptor: | 1FD6-V1V2-WITO, 2-acetamido-2-deoxy-beta-D-glucopyranose, VRC38.01 Fab Heavy Chain, ... | | Authors: | Gorman, J, Li, J, Kwong, P.D. | | Deposit date: | 2017-04-11 | | Release date: | 2017-05-31 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (3.456 Å) | | Cite: | Virus-like Particles Identify an HIV V1V2 Apex-Binding Neutralizing Antibody that Lacks a Protruding Loop.
Immunity, 46, 2017
|
|
3M1T
 | |
