5EKD
 
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3SXD
 | | Crystal structure of BBBB+UDP+Gal with MPD as the cryoprotectant | | Descriptor: | DI(HYDROXYETHYL)ETHER, Histo-blood group ABO system transferase, MANGANESE (II) ION, ... | | Authors: | Johal, A.R, Evans, S.V. | | Deposit date: | 2011-07-14 | | Release date: | 2012-02-29 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Sequence-dependent effects of cryoprotectants on the active sites of the human ABO(H) blood group A and B glycosyltransferases.
Acta Crystallogr.,Sect.D, 68, 2012
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2OOZ
 | | Macrophage Migration Inhibitory Factor (MIF) Complexed with OXIM6 (an OXIM Derivative Not Containing a Ring in its R-group) | | Descriptor: | 4-HYDROXYBENZALDEHYDE O-(3,3-DIMETHYLBUTANOYL)OXIME, GLYCEROL, ISOPROPYL ALCOHOL, ... | | Authors: | Crichlow, G.V, Al-Abed, Y, Lolis, E. | | Deposit date: | 2007-01-26 | | Release date: | 2007-06-05 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Alternative chemical modifications reverse the binding orientation of a pharmacophore scaffold in the active site of macrophage migration inhibitory factor.
J.Biol.Chem., 282, 2007
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7VRK
 | | crystal structure of BRD2-BD1 in complex with purine derivative | | Descriptor: | Bromodomain-containing protein 2, SULFATE ION, THEOPHYLLINE | | Authors: | Padmanabhan, B, Arole, A, Deshmukh, P, Ashok, S, Mathur, S. | | Deposit date: | 2021-10-23 | | Release date: | 2023-02-01 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | Structural and biochemical insights into purine-based drug molecules in hBRD2 delineate a unique binding mode opening new vistas in the design of inhibitors of the BET family.
Acta Crystallogr D Struct Biol, 79, 2023
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3NB5
 | | Human carbonic anhydrase II in complex with 2-(3-chloro-4-hydroxyphenyl)-N-(4-sulfamoylphenethyl)acetamide | | Descriptor: | 2-(3-chloro-4-hydroxyphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide, Carbonic anhydrase 2, GLYCEROL, ... | | Authors: | Hofmann, A, Osman, A, Davis, R.A. | | Deposit date: | 2010-06-02 | | Release date: | 2011-04-20 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Natural Product-Based Phenols as Novel Probes for Mycobacterial and Fungal Carbonic Anhydrases
J.Med.Chem., 54, 2011
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3NI5
 | | Carbonic anhydrase inhibitor: C1 family | | Descriptor: | 4-(nitrooxy)butyl 3-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoyl]benzoate, Carbonic anhydrase 2, MERCURY (II) ION, ... | | Authors: | Temperini, C, Cecchi, A, Scozzafava, A, Supuran, C.T. | | Deposit date: | 2010-06-15 | | Release date: | 2011-06-22 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Synthesis and crystallographic analysis of new sulfonamides incorporating NO-donating moieties with potent antiglaucoma action
Bioorg.Med.Chem.Lett., 21, 2011
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4Q2P
 | | NHERF3 PDZ2 in Complex with a Phage-Derived Peptide | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Na(+)/H(+) exchange regulatory cofactor NHE-RF3 | | Authors: | Appleton, B.A, Wiesmann, C. | | Deposit date: | 2014-04-09 | | Release date: | 2014-09-10 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | A structural portrait of the PDZ domain family.
J.Mol.Biol., 426, 2014
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3NC7
 | | CYP134A1 2-phenylimidazole bound structure | | Descriptor: | 2-phenyl-1H-imidazole, Cytochrome P450 cypX, MAGNESIUM ION, ... | | Authors: | Cryle, M.J, Schlichting, I. | | Deposit date: | 2010-06-04 | | Release date: | 2010-08-11 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Structural and biochemical characterization of the cytochrome P450 CypX (CYP134A1) from Bacillus subtilis: a cyclo-L-leucyl-L-leucyl dipeptide oxidase.
Biochemistry, 49, 2010
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4Q2N
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5F6E
 | | Crystal Structure of human Ubc9 (K48A/K49A/E54A) | | Descriptor: | 1,2-ETHANEDIOL, SUMO-conjugating enzyme UBC9 | | Authors: | Lountos, G.T, Hewitt, W.M, Zlotkowski, Z, Dahlhauser, S, Saunders, L.B, Needle, D, Tropea, J.E, Zhan, C, Wei, G, Ma, B, Nussinov, R, Schneekloth, J.S.Jr, Waugh, D.S. | | Deposit date: | 2015-12-05 | | Release date: | 2016-04-27 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.12 Å) | | Cite: | Insights Into the Allosteric Inhibition of the SUMO E2 Enzyme Ubc9.
Angew.Chem.Int.Ed.Engl., 55, 2016
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3NSP
 | | Crystal structure of tetrameric RXRalpha-LBD | | Descriptor: | Retinoid X receptor, alpha | | Authors: | Zhang, H, Hu, T, Li, L, Zhou, R, Chen, L, Hu, L, Jiang, H, Shen, X. | | Deposit date: | 2010-07-02 | | Release date: | 2010-11-17 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Danthron functions as a retinoic X receptor antagonist by stabilizing tetramers of the receptor.
J.Biol.Chem., 286, 2011
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3NC5
 | | CYP134A1 structure with an open substrate binding loop | | Descriptor: | Cytochrome P450 cypX, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Cryle, M.J, Schlichting, I. | | Deposit date: | 2010-06-04 | | Release date: | 2010-08-11 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structural and biochemical characterization of the cytochrome P450 CypX (CYP134A1) from Bacillus subtilis: a cyclo-L-leucyl-L-leucyl dipeptide oxidase.
Biochemistry, 49, 2010
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2OOH
 | | Crystal Structure of MIF bound to a Novel Inhibitor, OXIM-11 | | Descriptor: | 4-HYDROXYBENZALDEHYDE O-(CYCLOHEXYLCARBONYL)OXIME, GLYCEROL, Macrophage migration inhibitory factor, ... | | Authors: | Crichlow, G.V, Al-Abed, Y, Lolis, E. | | Deposit date: | 2007-01-25 | | Release date: | 2007-06-05 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Alternative chemical modifications reverse the binding orientation of a pharmacophore scaffold in the active site of macrophage migration inhibitory factor.
J.Biol.Chem., 282, 2007
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3NC6
 | | CYP134A1 1-phenylimidazole bound structure | | Descriptor: | 1-phenyl-1H-imidazole, Cytochrome P450 cypX, MAGNESIUM ION, ... | | Authors: | Cryle, M.J, Schlichting, I. | | Deposit date: | 2010-06-04 | | Release date: | 2010-08-11 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structural and biochemical characterization of the cytochrome P450 CypX (CYP134A1) from Bacillus subtilis: a cyclo-L-leucyl-L-leucyl dipeptide oxidase.
Biochemistry, 49, 2010
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3NJO
 | | X-ray crystal structure of the Pyr1-pyrabactin A complex | | Descriptor: | 4-bromo-N-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide, Abscisic acid receptor PYR1, CHLORIDE ION, ... | | Authors: | Burgie, E.S, Bingman, C.A, Phillips Jr, G.N, Peterson, F.C, Volkman, B.F, Cutler, S.R, Jensen, D.R, Center for Eukaryotic Structural Genomics (CESG) | | Deposit date: | 2010-06-17 | | Release date: | 2010-08-18 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.473 Å) | | Cite: | Structural basis for selective activation of ABA receptors.
Nat.Struct.Mol.Biol., 17, 2010
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1KE8
 | | CYCLIN-DEPENDENT KINASE 2 (CDK2) COMPLEXED WITH 4-{[(2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL]AMINO}-N-(1,3-THIAZOL-2-YL)BENZENESULFONAMIDE | | Descriptor: | 4-{[(2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL]AMINO}-N-(1,3-THIAZOL-2-YL)BENZENESULFONAMIDE, CELL DIVISION PROTEIN KINASE 2 | | Authors: | Bramson, H.N, Corona, J, Davis, S.T, Dickerson, S.H, Edelstein, M, Frye, S.V, Gampe, R.T, Hassell, A.M, Shewchuk, L.M, Kuyper, L.F. | | Deposit date: | 2001-11-14 | | Release date: | 2002-05-14 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Oxindole-based inhibitors of cyclin-dependent kinase 2 (CDK2): design, synthesis, enzymatic activities, and X-ray crystallographic analysis.
J.Med.Chem., 44, 2001
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1KEX
 | | Crystal Structure of the b1 Domain of Human Neuropilin-1 | | Descriptor: | Neuropilin-1 | | Authors: | Lee, C.C, Kreusch, A, McMullan, D, Ng, K, Spraggon, G. | | Deposit date: | 2001-11-18 | | Release date: | 2003-01-28 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal Structure of the Human Neuropilin-1 b1 Domain
Structure, 11, 2003
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6HIN
 | | Mouse serotonin 5-HT3 receptor, serotonin-bound, F conformation | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5-hydroxytryptamine receptor 3A, ... | | Authors: | Polovinkin, L, Neumann, E, Schoehn, G, Nury, H. | | Deposit date: | 2018-08-30 | | Release date: | 2018-11-07 | | Last modified: | 2022-09-14 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | Conformational transitions of the serotonin 5-HT3receptor.
Nature, 563, 2018
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3NC3
 | | CYP134A1 structure with a closed substrate binding loop | | Descriptor: | Cytochrome P450 cypX, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Cryle, M.J, Schlichting, I. | | Deposit date: | 2010-06-04 | | Release date: | 2010-08-11 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.66 Å) | | Cite: | Structural and biochemical characterization of the cytochrome P450 CypX (CYP134A1) from Bacillus subtilis: a cyclo-L-leucyl-L-leucyl dipeptide oxidase.
Biochemistry, 49, 2010
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1KE6
 | | CYCLIN-DEPENDENT KINASE 2 (CDK2) COMPLEXED WITH N-METHYL-{4-[2-(7-OXO-6,7-DIHYDRO-8H-[1,3]THIAZOLO[5,4-E]INDOL-8-YLIDENE)HYDRAZINO]PHENYL}METHANESULFONAMIDE | | Descriptor: | Cell division protein kinase 2, N-METHYL-{4-[2-(7-OXO-6,7-DIHYDRO-8H-[1,3]THIAZOLO[5,4-E]INDOL-8-YLIDENE)HYDRAZINO]PHENYL}METHANESULFONAMIDE | | Authors: | Bramson, H.N, Corona, J, Davis, S.T, Dickerson, S.H, Edelstein, M, Frye, S.V, Gampe, R.T, Hassell, A.H, Shewchuk, L.M, Kuyper, L.F. | | Deposit date: | 2001-11-14 | | Release date: | 2002-05-14 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Oxindole-based inhibitors of cyclin-dependent kinase 2 (CDK2): design, synthesis, enzymatic activities, and X-ray crystallographic analysis.
J.Med.Chem., 44, 2001
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6DGI
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1CK4
 | | CRYSTAL STRUCTURE OF RAT A1B1 INTEGRIN I-DOMAIN. | | Descriptor: | INTEGRIN ALPHA-1 | | Authors: | Nolte, M, Pepinsky, R.B, Venyaminov, S.Y, Koteliansky, V, Gotwals, P.J, Karpusas, M. | | Deposit date: | 1999-04-27 | | Release date: | 2000-05-03 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of the alpha1beta1 integrin I-domain: insights into integrin I-domain function.
FEBS Lett., 452, 1999
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6HIS
 | | Mouse serotonin 5-HT3 receptor, tropisetron-bound, T conformation | | Descriptor: | (3-ENDO)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL 1H-INDOLE-3-CARBOXYLATE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5-hydroxytryptamine receptor 3A, ... | | Authors: | Polovinkin, L, Neumann, E, Schoehn, G, Nury, H. | | Deposit date: | 2018-08-30 | | Release date: | 2018-11-07 | | Last modified: | 2022-09-14 | | Method: | ELECTRON MICROSCOPY (4.5 Å) | | Cite: | Conformational transitions of the serotonin 5-HT3receptor.
Nature, 563, 2018
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6HIO
 | | Mouse serotonin 5-HT3 receptor, serotonin-bound, I1 conformation | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5-hydroxytryptamine receptor 3A, ... | | Authors: | Polovinkin, L, Neumann, E, Schoehn, G, Nury, H. | | Deposit date: | 2018-08-30 | | Release date: | 2018-11-07 | | Last modified: | 2022-09-14 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | Conformational transitions of the serotonin 5-HT3receptor.
Nature, 563, 2018
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1KE9
 | | CYCLIN-DEPENDENT KINASE 2 (CDK2) COMPLEXED WITH 3-{[4-({[AMINO(IMINO)METHYL]AMINOSULFONYL)ANILINO]METHYLENE}-2-OXO-2,3-DIHYDRO-1H-INDOLE | | Descriptor: | 3-{[4-([AMINO(IMINO)METHYL]AMINOSULFONYL)ANILINO]METHYLENE}-2-OXO-2,3-DIHYDRO-1H-INDOLE, Cell division protein kinase 2 | | Authors: | Bramson, H.N, Corona, J, Davis, S.T, Dickerson, S.H, Edelstein, M, Frye, S.V, Gampe, R.T, Hassell, A.M, Shewchuk, L.M, Kuyper, L.F. | | Deposit date: | 2001-11-14 | | Release date: | 2002-05-14 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Oxindole-based inhibitors of cyclin-dependent kinase 2 (CDK2): design, synthesis, enzymatic activities, and X-ray crystallographic analysis.
J.Med.Chem., 44, 2001
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