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3DC2
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BU of 3dc2 by Molmil
Crystal structure of serine bound D-3-phosphoglycerate dehydrogenase from Mycobacterium tuberculosis
Descriptor: D-3-phosphoglycerate dehydrogenase, L(+)-TARTARIC ACID, SERINE
Authors:Dey, S, Sacchettini, J.C.
Deposit date:2008-06-03
Release date:2008-07-22
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural analysis of substrate and effector binding in Mycobacterium tuberculosis D-3-phosphoglycerate dehydrogenase
Biochemistry, 47, 2008
4KQ5
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BU of 4kq5 by Molmil
Crystal Structure of Human Farnesyl Pyrophosphate Synthase Mutant (Y204A) Complexed with Mg and Zoledronate
Descriptor: 1,2-ETHANEDIOL, Farnesyl pyrophosphate synthase, MAGNESIUM ION, ...
Authors:Barnett, B.L, Tsoumpra, M.K, Muniz, J.R.C.
Deposit date:2013-05-14
Release date:2014-04-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structure of Human Farnesyl Pyrophosphate Synthase Mutant (Y204A) Complexed with Mg and Zoledronate
To be Published
3ML9
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BU of 3ml9 by Molmil
Discovery of the Highly Potent PI3K/mTOR Dual Inhibitor PF-04691502 through Structure Based Drug Design
Descriptor: 2-amino-8-[trans-4-(2-hydroxyethoxy)cyclohexyl]-6-(6-methoxypyridin-3-yl)-4-methylpyrido[2,3-d]pyrimidin-7(8H)-one, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
Authors:Knighton, D.R.
Deposit date:2010-04-16
Release date:2010-06-02
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Discovery of the Highly Potent PI3K/mTOR Dual Inhibitor PF-04979064 through Structure-Based Drug Design.
ACS Med Chem Lett, 4, 2013
4KQD
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BU of 4kqd by Molmil
The crystal Structure of the N-terminal PAS domain of the F plasmid TraJ
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, DITHIANE DIOL, GLYCEROL, ...
Authors:Lu, J, Glover, J.N.M.
Deposit date:2013-05-14
Release date:2014-07-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:The crystal Structure of the N-terminal PAS domain of the F plasmid TraJ
To be Published
3DCN
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BU of 3dcn by Molmil
Glomerella cingulata apo cutinase
Descriptor: Cutinase
Authors:Nyon, M.P, Rice, D.W, Berrisford, J.M, Hounslow, A.M, Moir, A.J.G, Huang, H, Nathan, S, Mahadi, N.M, Farah Diba, A.B, Craven, C.J.
Deposit date:2008-06-04
Release date:2008-11-18
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Catalysis by Glomerella cingulata Cutinase Requires Conformational Cycling between the Active and Inactive States of Its Catalytic Triad
J.Mol.Biol., 385, 2009
3MLO
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BU of 3mlo by Molmil
DNA binding domain of Early B-cell Factor 1 (Ebf1) bound to DNA (Crystal form I)
Descriptor: DNA (5'-D(*CP*TP*TP*TP*AP*TP*TP*CP*CP*CP*AP*TP*GP*GP*GP*AP*AP*TP*AP*AP*AP*G)-3'), Transcription factor COE1, ZINC ION
Authors:Treiber, N, Treiber, T, Zocher, G, Grosschedl, R.
Deposit date:2010-04-17
Release date:2010-12-01
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:Structure of an Ebf1:DNA complex reveals unusual DNA recognition and structural homology with Rel proteins
Genes Dev., 24, 2010
3DA9
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BU of 3da9 by Molmil
Crystal structure of thrombin in complex with inhibitor
Descriptor: Hirudin peptide, SODIUM ION, Thrombin heavy chain, ...
Authors:Xue, Y, Hansson, S.K.
Deposit date:2008-05-29
Release date:2009-05-19
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Compounds binding to the S2-S3 pockets of thrombin.
J.Med.Chem., 52, 2009
4KLA
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BU of 4kla by Molmil
E343D variant of human ferrochelatase
Descriptor: CHOLIC ACID, FE2/S2 (INORGANIC) CLUSTER, Ferrochelatase, ...
Authors:Lanzilotta, W.N, Medlock, A.E.
Deposit date:2013-05-07
Release date:2014-05-07
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:E343D variant of human ferrochelatase
To be Published
3M3Z
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BU of 3m3z by Molmil
Crystal structure of HSC70/BAG1 in complex with small molecule inhibitor
Descriptor: 5'-O-(2-amino-2-oxoethyl)-8-(methylamino)adenosine, BAG family molecular chaperone regulator 1, Heat shock cognate 71 kDa protein
Authors:Dokurno, P, Surgenor, A.E, Shaw, T, Macias, A.T, Massey, A.J, Williamson, D.S.
Deposit date:2010-03-10
Release date:2011-01-26
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Adenosine-Derived Inhibitors of 78 kDa Glucose Regulated Protein (Grp78) ATPase: Insights into Isoform Selectivity.
J.Med.Chem., 54, 2011
4WE5
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BU of 4we5 by Molmil
The crystal structure of hemagglutinin from A/Port Chalmers/1/1973 influenza virus
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, ...
Authors:Yang, H, Carney, P.J, Chang, J.C, Guo, Z, Villanueva, J.M, Stevens, J.
Deposit date:2014-09-09
Release date:2015-02-11
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure and receptor binding preferences of recombinant human A(H3N2) virus hemagglutinins.
Virology, 477C, 2015
3M4A
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BU of 3m4a by Molmil
Crystal structure of a bacterial topoisomerase IB in complex with DNA reveals a secondary DNA binding site
Descriptor: ACETIC ACID, DNA (5'-D(*GP*AP*AP*TP*AP*AP*GP*GP*GP*CP*GP*C)-3'), DNA (5'-D(*GP*CP*GP*CP*CP*CP*TP*TP*AP*TP*TP*C)-3'), ...
Authors:Patel, A, Yakovleva, L, Shuman, S, Mondragon, A.
Deposit date:2010-03-10
Release date:2010-07-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure of a bacterial topoisomerase IB in complex with DNA reveals a secondary DNA binding site.
Structure, 18, 2010
3DBG
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BU of 3dbg by Molmil
Crystal structure of Cytochrome P450 170A1 (CYP170A1) from Streptomyces coelicolor
Descriptor: PROTOPORPHYRIN IX CONTAINING FE, Putative cytochrome P450
Authors:Zhao, B, Vassylyev, D.G, Waterman, M.R.
Deposit date:2008-05-31
Release date:2009-06-02
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of albaflavenone monooxygenase containing a moonlighting terpene synthase active site
J.Biol.Chem., 284, 2009
4KQO
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BU of 4kqo by Molmil
Crystal structure of penicillin-binding protein 3 from pseudomonas aeruginosa in complex with piperacillin
Descriptor: CHLORIDE ION, GLYCEROL, IMIDAZOLE, ...
Authors:Nettleship, J.E, Stuart, D.I, Owens, R.J, Ren, J.
Deposit date:2013-05-15
Release date:2013-11-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Binding of (5S)-Penicilloic Acid to Penicillin Binding Protein 3.
Acs Chem.Biol., 8, 2013
3M4O
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BU of 3m4o by Molmil
RNA polymerase II elongation complex B
Descriptor: DNA (28-MER), DNA (5'-D(P*GP*TP*GP*GP*TP*TP*AP*TP*GP*GP*GP*TP*AP*G)-3'), DNA-directed RNA polymerase II subunit RPB1, ...
Authors:Wang, D, Zhu, G, Huang, X, Lippard, S.J.
Deposit date:2010-03-11
Release date:2010-05-12
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (3.57 Å)
Cite:X-ray structure and mechanism of RNA polymerase II stalled at an antineoplastic monofunctional platinum-DNA adduct.
Proc.Natl.Acad.Sci.USA, 107, 2010
3DD6
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BU of 3dd6 by Molmil
Crystal structure of Rph, an exoribonuclease from Bacillus anthracis at 1.7 A resolution
Descriptor: Ribonuclease PH, SULFATE ION
Authors:Rawlings, A.E, Blagova, E.V, Levdikov, V.M, Fogg, M.J, Wilson, K.S, Wilkinson, A.J, Structural Proteomics in Europe 2 (SPINE-2)
Deposit date:2008-06-05
Release date:2009-02-10
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.702 Å)
Cite:The structure of Rph, an exoribonuclease from Bacillus anthracis, at 1.7 A resolution.
Acta Crystallogr.,Sect.F, 65, 2009
3MM9
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BU of 3mm9 by Molmil
Dissimilatory sulfite reductase nitrite complex
Descriptor: IRON/SULFUR CLUSTER, NITRITE ION, SIROHEME, ...
Authors:Parey, K, Warkentin, E, Kroneck, P.M.H, Ermler, U.
Deposit date:2010-04-19
Release date:2010-07-21
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Reaction cycle of the dissimilatory sulfite reductase from Archaeoglobus fulgidus.
Biochemistry, 49, 2010
3DCC
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BU of 3dcc by Molmil
Use of Carbonic Anhydrase II, IX Active-Site Mimic, for the Purpose of Screening Inhibitors for Possible Anti-Cancer Properties
Descriptor: 5-(2-chlorophenyl)-1,3,4-thiadiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION
Authors:Genis, C, Sippel, K.H, Case, N, Govindasamy, L, Agbandje-Mckenna, M, Mckenna, R.
Deposit date:2008-06-03
Release date:2009-03-03
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Design of a carbonic anhydrase IX active-site mimic to screen inhibitors for possible anticancer properties
Biochemistry, 48, 2009
4KS8
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BU of 4ks8 by Molmil
PAK6 kinase domain in complex with sunitinib
Descriptor: N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbo xamide, Serine/threonine-protein kinase PAK 6
Authors:Gao, J, Boggon, T.J.
Deposit date:2013-05-17
Release date:2013-09-11
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Substrate and Inhibitor Specificity of the Type II p21-Activated Kinase, PAK6.
Plos One, 8, 2013
3DCJ
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BU of 3dcj by Molmil
Crystal structure of glycinamide formyltransferase (PurN) from Mycobacterium tuberculosis in complex with 5-methyl-5,6,7,8-tetrahydrofolic acid derivative
Descriptor: CHLORIDE ION, MAGNESIUM ION, N-[4-({[(6S)-2-AMINO-4-HYDROXY-5-METHYL-5,6,7,8-TETRAHYDROPTERIDIN-6-YL]METHYL}AMINO)BENZOYL]-L-GLUTAMIC ACID, ...
Authors:Zhang, Z, Squire, C.J, Baker, E.N.
Deposit date:2008-06-03
Release date:2009-05-12
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structures of glycinamide ribonucleotide transformylase (PurN) from Mycobacterium tuberculosis reveal a novel dimer with relevance to drug discovery.
J.Mol.Biol., 389, 2009
3MNI
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BU of 3mni by Molmil
Human Carbonic Anhydrase II Mutant K170D
Descriptor: Carbonic anhydrase 2, SODIUM ION, ZINC ION
Authors:Domsic, J.F, McKenna, R.
Deposit date:2010-04-21
Release date:2010-07-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural and kinetic study of the extended active site for proton transfer in human carbonic anhydrase II.
Biochemistry, 49, 2010
3MNS
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BU of 3mns by Molmil
Investigation of global and local effects of radiation damage on porcine pancreatic elastase. Third stage of radiation damage
Descriptor: Chymotrypsin-like elastase family member 1, SODIUM ION, SULFATE ION
Authors:Petrova, T, Ginell, S, Kim, Y, Joachimiak, G, Joachimiak, A.
Deposit date:2010-04-22
Release date:2010-05-05
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.497 Å)
Cite:X-ray-induced deterioration of disulfide bridges at atomic resolution.
Acta Crystallogr.,Sect.D, 66, 2010
3DCV
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BU of 3dcv by Molmil
Crystal structure of human Pim1 kinase complexed with 4-(4-hydroxy-3-methyl-phenyl)-6-phenylpyrimidin-2(1H)-one
Descriptor: 4-(4-hydroxy-3-methylphenyl)-6-phenylpyrimidin-2(5H)-one, Proto-oncogene serine/threonine-protein kinase Pim-1
Authors:Bellamacina, C.R, Shafer, C.M, Lindvall, M, Gesner, T.G, Yabannavar, A, Weiping, J, Song, L, Walter, A.
Deposit date:2008-06-04
Release date:2008-08-19
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:4-(1H-indazol-5-yl)-6-phenylpyrimidin-2(1H)-one analogs as potent CDC7 inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
3MO6
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BU of 3mo6 by Molmil
Investigation of global and local effects of radiation damage on porcine pancreatic elastase. Sixth stage of radiation damage
Descriptor: Chymotrypsin-like elastase family member 1, SODIUM ION, SULFATE ION
Authors:Petrova, T, Ginell, S, Kim, Y, Joachimiak, G, Joachimiak, A.
Deposit date:2010-04-22
Release date:2010-05-05
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:X-ray-induced deterioration of disulfide bridges at atomic resolution.
Acta Crystallogr.,Sect.D, 66, 2010
3DD4
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BU of 3dd4 by Molmil
Structural Basis of KChIP4a Modulation of Kv4.3 Slow Inactivation
Descriptor: CALCIUM ION, Kv channel-interacting protein 4
Authors:Chai, J, Wang, H, Wang, K.
Deposit date:2008-06-05
Release date:2008-12-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural Insights into KChIP4a Modulation of Kv4.3 Inactivation.
J.Biol.Chem., 284, 2009
4KNU
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BU of 4knu by Molmil
Copper nitrite reductase from Nitrosomonas europaea at pH 6.5
Descriptor: CHLORIDE ION, COPPER (II) ION, GLYCEROL, ...
Authors:Rosenzweig, A.C, Lawton, T.L, Sayavedra-Soto, L.A, Arp, D.J.
Deposit date:2013-05-10
Release date:2013-07-24
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Characterization of a nitrite reductase involved in nitrifier denitrification.
J.Biol.Chem., 288, 2013

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