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1C3W
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BU of 1c3w by Molmil
BACTERIORHODOPSIN/LIPID COMPLEX AT 1.55 A RESOLUTION
Descriptor: 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, 2,10,23-TRIMETHYL-TETRACOSANE, BACTERIORHODOPSIN (GROUND STATE WILD TYPE "BR"), ...
Authors:Luecke, H.
Deposit date:1999-07-28
Release date:1999-09-15
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structure of bacteriorhodopsin at 1.55 A resolution.
J.Mol.Biol., 291, 1999
3E97
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BU of 3e97 by Molmil
Crystal structure of transcriptional regulator of Crp/Fnr family (YP_604437.1) from DEINOCOCCUS GEOTHERMALIS DSM 11300 at 1.86 A resolution
Descriptor: 1,2-ETHANEDIOL, Transcriptional regulator, Crp/Fnr family
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2008-08-21
Release date:2008-09-02
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Crystal structure of transcriptional regulator of Crp/Fnr family (YP_604437.1) from DEINOCOCCUS GEOTHERMALIS DSM 11300 at 1.86 A resolution
To be published
1XQZ
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BU of 1xqz by Molmil
Crystal Structure of hPim-1 kinase at 2.1 A resolution
Descriptor: Proto-oncogene serine/threonine-protein kinase Pim-1
Authors:Qian, K.C, Wang, L, Hickey, E.R, Studts, J, Barringer, K, Peng, C, Kronkaitis, A, Li, J, White, A, Mische, S, Farmer, B.
Deposit date:2004-10-13
Release date:2004-11-09
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Basis of Constitutive Activity and a Unique Nucleotide Binding Mode of Human Pim-1 Kinase.
J.Biol.Chem., 280, 2005
2OJ9
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BU of 2oj9 by Molmil
Structure of IGF-1R kinase domain complexed with a benzimidazole inhibitor
Descriptor: 3-[5-(1H-IMIDAZOL-1-YL)-7-METHYL-1H-BENZIMIDAZOL-2-YL]-4-[(PYRIDIN-2-YLMETHYL)AMINO]PYRIDIN-2(1H)-ONE, Insulin-like growth factor 1 receptor precursor (EC 2.7.10.1) (Insulin-like growth factor I receptor) (IGF-I receptor) (CD221 antigen)
Authors:Sack, J.S, Jacobson, B.L.
Deposit date:2007-01-12
Release date:2007-05-01
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery and initial SAR of 3-(1H-benzo[d]imidazol-2-yl)pyridin-2(1H)-ones as inhibitors of insulin-like growth factor 1-receptor (IGF-1R).
Bioorg.Med.Chem.Lett., 17, 2007
4MKV
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BU of 4mkv by Molmil
Structure of Pisum sativum Rubisco with ABA
Descriptor: (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, PHOSPHATE ION, RIBULOSE-1,5-DIPHOSPHATE, ...
Authors:Loewen, M.C, Loewen, P.C, Switala, J.
Deposit date:2013-09-05
Release date:2013-10-16
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Identification of Interactions between Abscisic Acid and Ribulose-1,5-Bisphosphate Carboxylase/Oxygenase.
Plos One, 10, 2015
1G2K
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BU of 1g2k by Molmil
HIV-1 PROTEASE WITH CYCLIC SULFAMIDE INHIBITOR, AHA047
Descriptor: 3-(7-BENZYL-4,5-DIHYDROXY-1,1-DIOXO-3,6-BIS-PHENOXYMETHYL-1L6-[1,2,7]THIADIAZEPAN-2-YLMETHYL)-N-METHYL-BENZAMIDE, PROTEASE RETROPEPSIN
Authors:Lindberg, J, Unge, T.
Deposit date:2000-10-20
Release date:2001-06-01
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Synthesis and comparative molecular field analysis (CoMFA) of symmetric and nonsymmetric cyclic sulfamide HIV-1 protease inhibitors.
J.Med.Chem., 44, 2001
4RFE
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BU of 4rfe by Molmil
Crystal structure of ADCC-potent ANTI-HIV-1 Rhesus macaque antibody JR4 Fab
Descriptor: CHLORIDE ION, Fab heavy chain of ADCC-potent anti-HIV-1 antibody JR4, Fab light chain of ADCC-potent anti-HIV-1 antibody JR4, ...
Authors:Wu, X, Gohain, N, Tolbert, W.D, Pazgier, M.
Deposit date:2014-09-25
Release date:2015-07-15
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Cocrystal Structures of Antibody N60-i3 and Antibody JR4 in Complex with gp120 Define More Cluster A Epitopes Involved in Effective Antibody-Dependent Effector Function against HIV-1.
J.Virol., 89, 2015
3GUX
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BU of 3gux by Molmil
Crystal structure of a putative zn-dependent exopeptidase (bvu_1317) from bacteroides vulgatus atcc 8482 at 1.80 A resolution
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, putative Zn-dependent exopeptidase
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2009-03-30
Release date:2009-04-07
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of putative Zn-dependent exopeptidase (YP_001298628.1) from Bacteroides vulgatus ATCC 8482 at 1.80 A resolution
To be published
3VTK
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BU of 3vtk by Molmil
THYMIDINE KINASE FROM HERPES SIMPLEX VIRUS TYPE 1 IN COMPLEX WITH ADP AND 5-IODO-DEOXYURIDINE-MONOPHOSPHATE
Descriptor: 5-IODO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, THYMIDINE KINASE
Authors:Wild, K, Schulz, G.E.
Deposit date:1997-04-01
Release date:1997-10-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3 Å)
Cite:The structures of thymidine kinase from herpes simplex virus type 1 in complex with substrates and a substrate analogue.
Protein Sci., 6, 1997
3NXP
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BU of 3nxp by Molmil
Crystal structure of human prethrombin-1
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ...
Authors:Chen, Z, Bush-Pelc, L.A, Di Cera, E.
Deposit date:2010-07-14
Release date:2010-11-10
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of prethrombin-1.
Proc.Natl.Acad.Sci.USA, 107, 2010
3EM3
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BU of 3em3 by Molmil
Crystal structure of amprenavir (APV) in complex with a drug resistant HIV-1 protease variant (I50L/A71V).
Descriptor: ACETATE ION, Protease, {3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL-AMINO]-1-BENZYL-2-HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YL ESTER
Authors:Prabu-Jeyabalan, M, King, N, Royer, C, Schiffer, C.
Deposit date:2008-09-23
Release date:2009-09-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Kinetic and Structural Studies on Atazanavir-specific I50L Drug-Resistant HIV-1 Protease Mutant
To be Published
5SY9
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BU of 5sy9 by Molmil
Atomic resolution structure of E15Q mutant human DJ-1
Descriptor: 1,2-ETHANEDIOL, Protein deglycase DJ-1
Authors:Wilson, M.A, Lin, J.
Deposit date:2016-08-10
Release date:2016-12-28
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Short Carboxylic Acid-Carboxylate Hydrogen Bonds Can Have Fully Localized Protons.
Biochemistry, 56, 2017
4AD3
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BU of 4ad3 by Molmil
Structure of the GH99 endo-alpha-mannosidase from Bacteroides xylanisolvens in complex with Glucose-1,3-deoxymannojirimycin
Descriptor: 1-DEOXYMANNOJIRIMYCIN, GLYCOSYL HYDROLASE FAMILY 71, alpha-D-glucopyranose
Authors:Thompson, A.J, Williams, R.J, Hakki, Z, Alonzi, D.S, Wennekes, T, Gloster, T.M, Songsrirote, K, Thomas-Oates, J.E, Wrodnigg, T.M, Spreitz, J, Stuetz, A.E, Butters, T.D, Williams, S.J, Davies, G.J.
Deposit date:2011-12-21
Release date:2012-02-01
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and Mechanistic Insight Into N-Glycan Processing by Endo-Alpha-Mannosidase.
Proc.Natl.Acad.Sci.USA, 109, 2012
1REF
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BU of 1ref by Molmil
ENDO-1,4-BETA-XYLANASE II COMPLEX WITH 2,3-EPOXYPROPYL-BETA-D-XYLOSIDE
Descriptor: (2R)-oxiran-2-ylmethyl beta-D-xylopyranoside, BENZOIC ACID, ENDO-1,4-BETA-XYLANASE II
Authors:Rouvinen, J, Havukainen, R, Torronen, A.
Deposit date:1995-12-21
Release date:1997-01-11
Last modified:2024-12-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Covalent binding of three epoxyalkyl xylosides to the active site of endo-1,4-xylanase II from Trichoderma reesei.
Biochemistry, 35, 1996
3EL5
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BU of 3el5 by Molmil
Crystal structure of nelfinavir (NFV) complexed with a multidrug variant (ACT) (V82T/I84V) of HIV-1 protease
Descriptor: 2-[2-HYDROXY-3-(3-HYDROXY-2-METHYL-BENZOYLAMINO)-4-PHENYL SULFANYL-BUTYL]-DECAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID TERT-BUTYLAMIDE, ACETATE ION, Protease
Authors:King, N, Prabu-Jeyabalan, M, Schiffer, C.
Deposit date:2008-09-20
Release date:2009-09-01
Last modified:2023-08-30
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
3O3A
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BU of 3o3a by Molmil
Human Class I MHC HLA-A2 in complex with the Peptidomimetic ELA-1
Descriptor: Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ...
Authors:Borbulevych, O.Y, Baker, B.M.
Deposit date:2010-07-23
Release date:2010-12-08
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structures of HLA-A*0201 complexed with Melan-A/MART-1(26(27L)-35) peptidomimetics reveal conformational heterogeneity and highlight degeneracy of T cell recognition.
J.Med.Chem., 53, 2010
3O6A
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BU of 3o6a by Molmil
F144Y/F258Y Double Mutant of Exo-beta-1,3-glucanase from Candida albicans at 2 A
Descriptor: Glucan 1,3-beta-glucosidase
Authors:Nakatani, Y, Cutfield, S.M, Cutfield, J.F.
Deposit date:2010-07-28
Release date:2010-09-15
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Carbohydrate binding sites in Candida albicans exo-beta-1,3-glucanase and the role of the Phe-Phe 'clamp' at the active site entrance
Febs J., 277, 2010
1IHV
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BU of 1ihv by Molmil
SOLUTION STRUCTURE OF THE DNA BINDING DOMAIN OF HIV-1 INTEGRASE, NMR, MINIMIZED AVERAGE STRUCTURE
Descriptor: HIV-1 INTEGRASE
Authors:Clore, G.M, Lodi, P.J, Ernst, J.A, Gronenborn, A.M.
Deposit date:1995-05-12
Release date:1996-10-14
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution structure of the DNA binding domain of HIV-1 integrase.
Biochemistry, 34, 1995
2RFF
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BU of 2rff by Molmil
Crystal structure of a putative nucleotidyltransferase (NP_343093.1) from Sulfolobus solfataricus at 1.40 A resolution
Descriptor: 1,2-ETHANEDIOL, Putative nucleotidyltransferase
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2007-09-28
Release date:2007-10-16
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal structure of a putative nucleotidyltransferase (NP_343093.1) from Sulfolobus solfataricus at 1.40 A resolution
To be published
1RED
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BU of 1red by Molmil
ENDO-1,4-BETA-XYLANASE II COMPLEX WITH 4,5-EPOXYPENTYL-BETA-D-XYLOSIDE
Descriptor: 3-[(2R)-oxiran-2-yl]propyl beta-D-xylopyranoside, BENZOIC ACID, ENDO-1,4-BETA-XYLANASE II
Authors:Rouvinen, J, Havukainen, R, Torronen, A.
Deposit date:1995-12-21
Release date:1997-01-11
Last modified:2024-12-25
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Covalent binding of three epoxyalkyl xylosides to the active site of endo-1,4-xylanase II from Trichoderma reesei.
Biochemistry, 35, 1996
5T49
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BU of 5t49 by Molmil
Crystal structure of SeMet derivative BhGH81
Descriptor: 1,2-ETHANEDIOL, BH0236 protein, PHOSPHATE ION
Authors:Pluvinage, B, Boraston, A.B.
Deposit date:2016-08-29
Release date:2017-06-28
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Analysis of a Family 81 Glycoside Hydrolase Implicates Its Recognition of beta-1,3-Glucan Quaternary Structure.
Structure, 25, 2017
4ISK
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BU of 4isk by Molmil
Crystal structure of E.coli thymidylate synthase with dUMP and the BGC 945 inhibitor
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2'-deoxy-5'-uridylic acid, MAGNESIUM ION, ...
Authors:Tochowicz, A, Finer-Moore, J, Stroud, R.M.
Deposit date:2013-01-16
Release date:2013-12-25
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (1.752 Å)
Cite:Development and Binding Mode Assessment of N-[4-[2-Propyn-1-yl[(6S)-4,6,7,8-tetrahydro-2-(hydroxymethyl)-4-oxo-3H-cyclopenta[g]quinazolin-6-yl]amino]benzoyl]-l-gamma-glutamyl-d-glutamic Acid (BGC 945), a Novel Thymidylate Synthase Inhibitor That Targets Tumor Cells.
J.Med.Chem., 56, 2013
2RLD
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BU of 2rld by Molmil
CRYSTAL STRUCTURE OF A PROTEIN WITH UNKNOWN FUNCTION FROM S23 RIBOSOMAL PROTEIN FAMILY (BT_0352) FROM BACTEROIDES THETAIOTAOMICRON VPI-5482 AT 1.70 A RESOLUTION
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2007-10-18
Release date:2007-10-30
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of uncharacterized protein (NP_809265.1) from Bacteroides thetaiotaomicron VPI-5482 at 1.70 A resolution
To be published
1CNQ
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BU of 1cnq by Molmil
FRUCTOSE-1,6-BISPHOSPHATASE COMPLEXED WITH FRUCTOSE-6-PHOSPHATE AND ZINC IONS
Descriptor: 6-O-phosphono-beta-D-fructofuranose, FRUCTOSE-1,6-BISPHOSPHATASE, PHOSPHATE ION, ...
Authors:Choe, J, Poland, B.W, Fromm, H, Honzatko, R.
Deposit date:1999-05-21
Release date:1999-05-28
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Role of a dynamic loop in cation activation and allosteric regulation of recombinant porcine fructose-1,6-bisphosphatase.
Biochemistry, 37, 1998
4IU6
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BU of 4iu6 by Molmil
Human Methionine Aminopeptidase in complex with FZ1: Pyridinylquinazolines Selectively Inhibit Human Methionine Aminopeptidase-1
Descriptor: 4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(pyridin-2-yl)quinazoline, COBALT (II) ION, Methionine aminopeptidase 1, ...
Authors:Gabelli, S.B, Zhang, F, Miller, M, Liu, J, Amzel, L.M.
Deposit date:2013-01-19
Release date:2013-05-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Pyridinylquinazolines selectively inhibit human methionine aminopeptidase-1 in cells.
J.Med.Chem., 56, 2013

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