Loading
PDBj
MenuPDBj@FacebookPDBj@X(formerly Twitter)PDBj@BlueSkyPDBj@YouTubewwPDB FoundationwwPDBDonate
RCSB PDBPDBeBMRBAdv. SearchSearch help

3O9A
DownloadVisualize
BU of 3o9a by Molmil
Crystal Structure of wild-type HIV-1 Protease in complex with kd14
Descriptor: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl][(2S)-2-methylbutyl]amino}propyl]carbamate, PHOSPHATE ION, Pol polyprotein
Authors:Schiffer, C.A, Nalam, M.N.L.
Deposit date:2010-08-04
Release date:2011-08-10
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Substrate envelope-designed potent HIV-1 protease inhibitors to avoid drug resistance.
Chem.Biol., 20, 2013
1XIE
DownloadVisualize
BU of 1xie by Molmil
MODES OF BINDING SUBSTRATES AND THEIR ANALOGUES TO THE ENZYME D-XYLOSE ISOMERASE
Descriptor: 1,5-anhydro-D-glucitol, D-XYLOSE ISOMERASE, MANGANESE (II) ION
Authors:Carrell, H.L, Glusker, J.P.
Deposit date:1994-03-07
Release date:1994-06-22
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Modes of binding substrates and their analogues to the enzyme D-xylose isomerase.
Acta Crystallogr.,Sect.D, 50, 1994
4AFJ
DownloadVisualize
BU of 4afj by Molmil
5-aryl-4-carboxamide-1,3-oxazoles: potent and selective GSK-3 inhibitors
Descriptor: 5-(4-METHOXYPHENYL)-N-(PYRIDIN-4-YLMETHYL)-1,3-OXAZOLE-4-CARBOXAMIDE, GLYCEROL, GLYCOGEN SYNTHASE KINASE-3 BETA, ...
Authors:Gentile, G, Merlo, G, Pozzan, A, Bernasconi, G, Bax, B, Bamborough, P, Bridges, A, Carter, P, Neu, M, Yao, G, Brough, C, Cutler, G, Coffin, A, Belyanskaya, S.
Deposit date:2012-01-19
Release date:2012-02-29
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:5-Aryl-4-Carboxamide-1,3-Oxazoles: Potent and Selective Gsk-3 Inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
1YI3
DownloadVisualize
BU of 1yi3 by Molmil
Crystal Structure of Pim-1 bound to LY294002
Descriptor: 2-MORPHOLIN-4-YL-7-PHENYL-4H-CHROMEN-4-ONE, Proto-oncogene serine/threonine-protein kinase Pim-1
Authors:Jacobs, M.D, Black, J, Futer, O, Swenson, L, Hare, B, Fleming, M, Saxena, K.
Deposit date:2005-01-11
Release date:2005-01-25
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Pim-1 ligand-bound structures reveal the mechanism of serine/threonine kinase inhibition by LY294002.
J.Biol.Chem., 280, 2005
2XH5
DownloadVisualize
BU of 2xh5 by Molmil
Structure of 4-(4-tert-Butylbenzyl)-1-(7H-pyrrolo(2,3-d)pyrimidin-4- yl)piperidin-4-amine bound to PKB
Descriptor: 4-(4-tert-butylbenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-aminium, GLYCOGEN SYNTHASE KINASE-3 BETA, RAC-BETA SERINE/THREONINE-PROTEIN KINASE
Authors:Davies, T.G, McHardy, T, Caldwell, J.J, Cheung, K.M, Hunter, L.J, Taylor, K, Rowlands, M, Ruddle, R, Henley, A, Brandon, A.D, Valenti, M, Fazal, L, Seavers, L, Raynaud, F.I, Eccles, S.A, Aherne, G.W, Garrett, M.D, Collins, I.
Deposit date:2010-06-09
Release date:2010-06-16
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:Discovery of 4-Amino-1-(7H-Pyrrolo[2,3-D]Pyrimidin-4-Yl)Piperidine-4-Carboxamides as Selective, Orally Active Inhibitors of Protein Kinase B (Akt).
J.Med.Chem., 53, 2010
2XIK
DownloadVisualize
BU of 2xik by Molmil
Structure of Human YSK1 (Yeast Sps1-Ste20-related Kinase 1)
Descriptor: 1,2-ETHANEDIOL, 5-[(E)-(5-CHLORO-2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL]-N-[2-(DIETHYLAMINO)ETHYL]-2,4-DIMETHYL-1H-PYRROLE-3-CARBOXAMIDE, SERINE/THREONINE PROTEIN KINASE 25
Authors:Muniz, J.R.C, Rellos, P, Ugochukwu, E, Vollmar, M, Allerston, C, Chaikuad, A, Savitsky, P, Berridge, G, Brenner, B, Elkins, J.M, Daga, N, Gileadi, O, Mahajan, P, Shrestha, B, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S.
Deposit date:2010-06-30
Release date:2010-07-14
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Structure of Human Ysk1 (Yeast Sps1-Ste20-Related Kinase 1)
To be Published
2WP3
DownloadVisualize
BU of 2wp3 by Molmil
Crystal structure of the Titin M10-Obscurin like 1 Ig complex
Descriptor: GLYCEROL, OBSCURIN-LIKE PROTEIN 1, SULFATE ION, ...
Authors:Pernigo, S, Fuzukawa, A, Gautel, M, Steiner, R.A.
Deposit date:2009-08-02
Release date:2010-02-16
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Structural Insight Into M-Band Assembly and Mechanics from the Titin-Obscurin-Like-1 Complex.
Proc.Natl.Acad.Sci.USA, 107, 2010
1QBR
DownloadVisualize
BU of 1qbr by Molmil
HIV-1 PROTEASE INHIBITORS WIIH LOW NANOMOLAR POTENCY
Descriptor: HIV-1 PROTEASE, [4R-(4ALPHA,5ALPHA,6BETA,7BETA)]-3,3'-[[TETRAHYDRO-5,6-DIHYDROXY-2-OXO-4,7-BIS(PHENYLMETHYL)-1H-1,3-DIAZEPINE-1,3(2H)-D IYL] BIS(METHYLENE)]BIS[N-2-THIAZOLYLBENZAMIDE]
Authors:Ala, P, Chang, C.-H.
Deposit date:1997-04-25
Release date:1997-10-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Cyclic urea amides: HIV-1 protease inhibitors with low nanomolar potency against both wild type and protease inhibitor resistant mutants of HIV.
J.Med.Chem., 40, 1997
2VI5
DownloadVisualize
BU of 2vi5 by Molmil
LUMAZINE SYNTHASE FROM MYCOBACTERIUM TUBERCULOSIS BOUND TO N-6-(ribitylamino)pyrimidine-2,4(1H,3H)-dione-5-yl-propionamide
Descriptor: 1-deoxy-1-{[(5S)-2,6-dioxo-5-(propanoylamino)-1,2,5,6-tetrahydropyrimidin-4-yl]amino}-D-ribitol, 6,7-DIMETHYL-8-RIBITYLLUMAZINE SYNTHASE, PHOSPHATE ION, ...
Authors:Morgunova, E, Zhang, Y, Jin, G, Illarionov, B, Bacher, A, Fischer, M, Cushman, M, Ladenstein, R.
Deposit date:2007-11-27
Release date:2008-04-08
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A New Series of N-[2,4-Dioxo-6-D-Ribitylamino-1,2, 3,4-Tetrahydropyrimidin-5-Yl]Oxalamic Acid Derivatives as Inhibitors of Lumazine Syntase and Riboflavin Synthase: Design, Synthesis, Biochemical Evaluation, Crystallography and Mechanistic Implications.
J.Org.Chem., 73, 2008
3S53
DownloadVisualize
BU of 3s53 by Molmil
HIV-1 protease triple mutants V32I, I47V, V82I with antiviral drug darunavir in space group P212121
Descriptor: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, IODIDE ION, PHOSPHATE ION, ...
Authors:Tie, Y.-F, Wang, Y.-F, Weber, I.T.
Deposit date:2011-05-20
Release date:2012-03-21
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Critical differences in HIV-1 and HIV-2 protease specificity for clinical inhibitors.
Protein Sci., 21, 2012
3EKW
DownloadVisualize
BU of 3ekw by Molmil
Crystal structure of the inhibitor Atazanavir (ATV) in complex with a multi-drug resistance HIV-1 protease variant (L10I/G48V/I54V/V64I/V82A) Refer: FLAP+ in citation.
Descriptor: (3S,8S,9S,12S)-3,12-BIS(1,1-DIMETHYLETHYL)-8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)-6-[[4-(2-PYRIDINYL)PHENYL]METHYL]-2,5, 6,10,13-PENTAAZATETRADECANEDIOIC ACID DIMETHYL ESTER, PHOSPHATE ION, ...
Authors:Prabu-Jeyabalan, M, King, N.M, Bandaranayake, R.M.
Deposit date:2008-09-19
Release date:2009-09-01
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Extreme Entropy-Enthalpy Compensation in a Drug-Resistant Variant of HIV-1 Protease.
Acs Chem.Biol., 7, 2012
2ZBZ
DownloadVisualize
BU of 2zbz by Molmil
Crystal structure of vitamin D hydroxylase cytochrome P450 105A1 (R84A mutant) in complex with 1,25-dihydroxyvitamin D3
Descriptor: 5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANE-1,3-DIOL, Cytochrome P450-SU1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Sugimoto, H, Shinkyo, R, Hayashi, K, Yoneda, S, Yamada, M, Kamakura, M, Ikushiro, S, Shiro, Y, Sakaki, T.
Deposit date:2007-10-30
Release date:2008-04-08
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of CYP105A1 (P450SU-1) in Complex with 1alpha,25-Dihydroxyvitamin D3
Biochemistry, 47, 2008
7JX9
DownloadVisualize
BU of 7jx9 by Molmil
The crystal structure of human ornithine aminotransferase with an intermediate bound during inactivation by (1S,3S)-3-amino-4-(hexafluoropropan-2-ylidenyl)-cyclopentane-1-carboxylic acid.
Descriptor: (1S,3S,4S)-3-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)cyclopentane-1-carboxylic acid, N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]glycine, Ornithine aminotransferase, ...
Authors:Butrin, A, Beaupre, B, Shen, S, Silverman, R.B, Moran, G, Liu, D.
Deposit date:2020-08-26
Release date:2021-01-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Structural and Kinetic Analyses Reveal the Dual Inhibition Modes of Ornithine Aminotransferase by (1 S ,3 S )-3-Amino-4-(hexafluoropropan-2-ylidenyl)-cyclopentane-1-carboxylic Acid (BCF 3 ).
Acs Chem.Biol., 16, 2021
3HVQ
DownloadVisualize
BU of 3hvq by Molmil
Crystal structure of a complex between Protein Phosphatase 1 alpha (PP1) and the PP1 binding and PDZ domains of Neurabin
Descriptor: GLYCEROL, MANGANESE (II) ION, Neurabin-1, ...
Authors:Critton, D.A, Ragusa, M.J, Page, R, Peti, W.
Deposit date:2009-06-16
Release date:2010-03-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Spinophilin directs protein phosphatase 1 specificity by blocking substrate binding sites.
Nat.Struct.Mol.Biol., 17, 2010
3ZPS
DownloadVisualize
BU of 3zps by Molmil
Design and Synthesis of P1-P3 Macrocyclic Tertiary Alcohol Comprising HIV-1 Protease Inhibitors
Descriptor: CHLORIDE ION, PROTEASE, methyl N-[(2S)-1-[2-[(4-bromophenyl)methyl]-2-[(4R)-5-[[(2S)-3,3-dimethyl-1-oxidanylidene-1-(prop-2-enylamino)butan-2-yl]amino]-4-oxidanyl-5-oxidanylidene-4-(phenylmethyl)pentyl]hydrazinyl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate
Authors:Joshi, A, Veron, J.B, Unge, J, Rosenquist, A, Wallberg, H, Samuelsson, B, Hallberg, A, Larhed, M.
Deposit date:2013-03-01
Release date:2013-11-06
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Design and Synthesis of P1-P3 Macrocyclic Tertiary Alcohol Comprising HIV-1 Protease Inhibitors.
J.Med.Chem., 56, 2013
3A3G
DownloadVisualize
BU of 3a3g by Molmil
Crystal structure of LumP complexed with 6,7-dimethyl-8-(1'-D-ribityl) lumazine
Descriptor: 1-deoxy-1-(6,7-dimethyl-2,4-dioxo-3,4-dihydropteridin-8(2H)-yl)-D-ribitol, Lumazine protein
Authors:Sato, Y.
Deposit date:2009-06-12
Release date:2009-11-10
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structures of the lumazine protein from Photobacterium kishitanii in complexes with the authentic chromophore, 6,7-dimethyl-8-(1'-D-ribityl) lumazine and its analogues, riboflavin and FMN, at high resolution
J.Bacteriol., 192, 2009
4JAJ
DownloadVisualize
BU of 4jaj by Molmil
Crystal Structure of Aurora Kinase A in complex with BENZO[C][1,8]NAPHTHYRIDIN-6(5H)-ONE
Descriptor: Aurora kinase A, benzo[c][1,8]naphthyridin-6(5H)-one
Authors:Jiang, X, Josephson, K, Huck, B, Goutopoulos, A, Karra, S.
Deposit date:2013-02-18
Release date:2013-05-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:SAR and evaluation of novel 5H-benzo[c][1,8]naphthyridin-6-one analogs as Aurora kinase inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
1HT6
DownloadVisualize
BU of 1ht6 by Molmil
CRYSTAL STRUCTURE AT 1.5A RESOLUTION OF THE BARLEY ALPHA-AMYLASE ISOZYME 1
Descriptor: 1,2-ETHANEDIOL, ALPHA-AMYLASE ISOZYME 1, CALCIUM ION
Authors:Robert, X, Haser, R, Aghajari, N.
Deposit date:2000-12-29
Release date:2003-07-08
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:The structure of barley alpha-amylase isozyme 1 reveals a novel role of domain C in substrate recognition and binding: a pair of sugar tongs
Structure, 11, 2003
1QBT
DownloadVisualize
BU of 1qbt by Molmil
HIV-1 PROTEASE INHIBITORS WIIH LOW NANOMOLAR POTENCY
Descriptor: HIV-1 PROTEASE, [4R-(4ALPHA,5ALPHA,6ALPHA,7ALPHA)]-3,3'-{{TETRAHYDRO-5,6-DIHYDROXY-2-OXO-4,7-BIS(PHENYLMETHYL)-1H-1,3-DIAZEPINE-1,3(2H)-DIYL]BIS(METHYLENE)]BIS[N-1H-BENZIMIDAZOL-2-YLBENZAMIDE]
Authors:Ala, P, Chang, C.-H.
Deposit date:1997-04-25
Release date:1997-10-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Cyclic urea amides: HIV-1 protease inhibitors with low nanomolar potency against both wild type and protease inhibitor resistant mutants of HIV.
J.Med.Chem., 40, 1997
3O9E
DownloadVisualize
BU of 3o9e by Molmil
Crystal Structure of wild-type HIV-1 Protease in complex with af60
Descriptor: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-3-{[(4-aminophenyl)sulfonyl](2-ethylbutyl)amino}-1-benzyl-2-hydroxypropyl]carbamate, ACETATE ION, PHOSPHATE ION, ...
Authors:Schiffer, C.A, Nalam, M.N.L.
Deposit date:2010-08-04
Release date:2011-08-10
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Substrate envelope-designed potent HIV-1 protease inhibitors to avoid drug resistance.
Chem.Biol., 20, 2013
4AOI
DownloadVisualize
BU of 4aoi by Molmil
Crystal structure of C-MET kinase domain in complex with 4-(3-((1H- pyrrolo(2,3-b)pyridin-3-yl)methyl)-(1,2,4)triazolo(4,3-b)(1,2,4) triazin-6-yl)benzonitrile
Descriptor: 4-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-yl]benzenecarbonitrile, HEPATOCYTE GROWTH FACTOR RECEPTOR
Authors:McTigue, M, Grodsky, N, Ryan, K, Cui, J.J.
Deposit date:2012-03-27
Release date:2012-09-26
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of a Novel Class of Exquisitely Selective Mesenchymal-Epithelial Transition Factor (C-met) Protein Kinase Inhibitors and Identification of the Clinical Candidate 2-(4-(1-(Quinolin-6-Ylmethyl)-1H-[1,2, 3]Triazolo[4,5-B]Pyrazin-6-Yl)-1H-Pyrazol-1-Yl)Ethanol (Pf-04217903) for the Treatment of Cancer.
J.Med.Chem., 55, 2012
4AP7
DownloadVisualize
BU of 4ap7 by Molmil
Crystal structure of C-MET kinase domain in complex with 4-((6-(4- fluorophenyl)-(1,2,4)triazolo(4,3-b)(1,2,4)triazin-3-yl)methyl)phenol
Descriptor: 4-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methyl]phenol, HEPATOCYTE GROWTH FACTOR RECEPTOR
Authors:McTigue, M, Wickersham, J.
Deposit date:2012-03-30
Release date:2012-09-26
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery of a Novel Class of Exquisitely Selective Mesenchymal-Epithelial Transition Factor (C-met) Protein Kinase Inhibitors and Identification of the Clinical Candidate 2-(4-(1-(Quinolin-6-Ylmethyl)-1H-[1,2, 3]Triazolo[4,5-B]Pyrazin-6-Yl)-1H-Pyrazol-1-Yl)Ethanol (Pf-04217903) for the Treatment of Cancer.
J.Med.Chem., 55, 2012
1YA4
DownloadVisualize
BU of 1ya4 by Molmil
Crystal Structure of Human Liver Carboxylesterase 1 in complex with tamoxifen
Descriptor: (Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-PHENOXY]-N,N-DIMETHYLETHANAMINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, CES1 protein, ...
Authors:Fleming, C.D, Bencharit, S, Edwards, C.C, Hyatt, J.L, Morton, C.L, Howard-Williams, E.L, Potter, P.M, Redinbo, M.R.
Deposit date:2004-12-17
Release date:2005-08-02
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural insights into drug processing by human carboxylesterase 1: tamoxifen, mevastatin, and inhibition by benzil.
J.Mol.Biol., 352, 2005
4DQC
DownloadVisualize
BU of 4dqc by Molmil
Crystal Structure of (G16C/L38C) HIV-1 Protease in Complex with DRV
Descriptor: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Aspartyl protease, GLYCEROL, ...
Authors:Schiffer, C.A, Mittal, S.
Deposit date:2012-02-15
Release date:2012-03-07
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Hydrophobic core flexibility modulates enzyme activity in HIV-1 protease.
J.Am.Chem.Soc., 134, 2012
3I79
DownloadVisualize
BU of 3i79 by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1)
Descriptor: 1,2-ETHANEDIOL, Calmodulin-domain protein kinase 1
Authors:Larson, E.T, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
Deposit date:2009-07-08
Release date:2009-08-11
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Toxoplasma gondii calcium-dependent protein kinase 1 is a target for selective kinase inhibitors.
Nat.Struct.Mol.Biol., 17, 2010

243083

건을2025-10-15부터공개중

PDB statisticsPDBj update infoContact PDBjnumon