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3KRO
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BU of 3kro by Molmil
Mint heterotetrameric geranyl pyrophosphate synthase in complex with magnesium, IPP, and DMASPP (II)
Descriptor: 1,2-ETHANEDIOL, 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, DIMETHYLALLYL S-THIOLODIPHOSPHATE, ...
Authors:Chang, T.-H, Hsieh, F.-L, Ko, T.-P, Wang, A.H.-J.
Deposit date:2009-11-19
Release date:2010-02-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure of a heterotetrameric geranyl pyrophosphate synthase from mint (Mentha piperita) reveals intersubunit regulation
Plant Cell, 22, 2010
3KS0
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BU of 3ks0 by Molmil
Crystal structure of the heme domain of flavocytochrome b2 in complex with Fab B2B4
Descriptor: Cytochrome b2, mitochondrial, Fragment Antigen Binding B2B4, ...
Authors:Golinelli-Pimpaneau, B, Lederer, F, Le, K.H.D.
Deposit date:2009-11-20
Release date:2010-05-26
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural evidence for the functional importance of the heme domain mobility in flavocytochrome b2.
J.Mol.Biol., 400, 2010
3L32
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BU of 3l32 by Molmil
Structure of the dimerisation domain of the rabies virus phosphoprotein
Descriptor: Phosphoprotein
Authors:Ivanov, I, Crepin, T, Jamin, M, Ruigrok, R.W.H.
Deposit date:2009-12-16
Release date:2010-02-16
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure of the dimerisation domain of the rabies virus phosphoprotein
J.Virol., 2010
3KSY
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BU of 3ksy by Molmil
Crystal structure of the Histone domain, DH-PH unit, and catalytic unit of the Ras activator Son of Sevenless (SOS)
Descriptor: Son of sevenless homolog 1
Authors:Gureasko, J, Kuchment, O, Kuriyan, J.
Deposit date:2009-11-24
Release date:2010-02-16
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.178 Å)
Cite:Role of the histone domain in the autoinhibition and activation of the Ras activator Son of Sevenless.
Proc.Natl.Acad.Sci.USA, 107, 2010
3KTI
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BU of 3kti by Molmil
Structure of ClpP in complex with ADEP1
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, ATP-dependent Clp protease proteolytic subunit, Acyldepsipeptide 1, ...
Authors:Lee, B.-G, Brotz-Oesterhelt, H, Song, H.K.
Deposit date:2009-11-25
Release date:2010-03-23
Last modified:2013-02-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structures of ClpP in complex with acyldepsipeptide antibiotics reveal its activation mechanism
Nat.Struct.Mol.Biol., 17, 2010
3KU6
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BU of 3ku6 by Molmil
Crystal structure of a H2N2 influenza virus hemagglutinin, 226L/228G
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Xu, R, Wilson, I.A.
Deposit date:2009-11-26
Release date:2010-01-19
Last modified:2021-10-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure, receptor binding, and antigenicity of influenza virus hemagglutinins from the 1957 H2N2 pandemic.
J.Virol., 84, 2010
3L3X
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BU of 3l3x by Molmil
Crystal structure of DHT-bound androgen receptor in complex with the first motif of steroid receptor coactivator 3
Descriptor: 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, Nuclear receptor coactivator 3
Authors:Zhou, X.E, Suino-Powell, K.M, Li, J, He, A, MacKeigan, J.P, Melcher, K, Yong, E.-L, Xu, H.E.
Deposit date:2009-12-18
Release date:2010-01-12
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Identification of SRC3/AIB1 as a Preferred Coactivator for Hormone-activated Androgen Receptor.
J.Biol.Chem., 285, 2010
3KVK
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BU of 3kvk by Molmil
Crystal structure of human dihydroorotate dehydrogenase (DHODH) with amino-benzoic acid inhibitor 641 at 2.05A resolution
Descriptor: (4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, 2-{[(3,5-dichlorophenyl)carbamoyl]amino}benzoic acid, Dihydroorotate dehydrogenase, ...
Authors:McLean, L, Zhang, Y.
Deposit date:2009-11-30
Release date:2010-03-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Discovery of novel inhibitors for DHODH via virtual screening and X-ray crystallographic structures.
Bioorg.Med.Chem.Lett., 20, 2010
3KMV
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BU of 3kmv by Molmil
Crystal structure of CBM42A from Clostridium thermocellum
Descriptor: ACETATE ION, Alpha-L-arabinofuranosidase B, CALCIUM ION, ...
Authors:Santos-Silva, T, Alves, V.D, Prates, J.A.M, Fontes, C.M.G.A, Romao, M.J.
Deposit date:2009-11-11
Release date:2010-08-04
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Family 42 carbohydrate-binding modules display multiple arabinoxylan-binding interfaces presenting different ligand affinities.
Biochim.Biophys.Acta, 1804, 2010
3KNR
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BU of 3knr by Molmil
Bacillus cereus metallo-beta-lactamase Cys221Asp mutant, 1 mM Zn(II)
Descriptor: ACETIC ACID, Beta-lactamase 2, GLYCEROL, ...
Authors:Medrano Martin, F.J, Gonzalez, J.M, Vila, A.J.
Deposit date:2009-11-12
Release date:2010-11-24
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Metallo-beta-lactamases withstand low Zn(II) conditions by tuning metal-ligand interactions.
Nat.Chem.Biol., 8, 2012
3KYI
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BU of 3kyi by Molmil
Crystal structure of the phosphorylated P1 domain of CheA3 in complex with CheY6 from R. sphaeroides
Descriptor: CheY6 protein, Putative histidine protein kinase
Authors:Bell, C.H, Porter, S.L, Armitage, J.P, Stuart, D.I.
Deposit date:2009-12-06
Release date:2010-02-16
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Using structural information to change the phosphotransfer specificity of a two-component chemotaxis signalling complex
Plos Biol., 8, 2010
3KO2
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BU of 3ko2 by Molmil
I-MsoI re-designed for altered DNA cleavage specificity (-7C)
Descriptor: 5'-D(*CP*GP*GP*AP*AP*CP*TP*GP*TP*CP*TP*CP*AP*CP*GP*AP*CP*GP*GP*TP*CP*TP*GP*C)-3', 5'-D(*GP*CP*AP*GP*AP*CP*CP*GP*TP*CP*GP*TP*GP*AP*GP*AP*CP*AP*GP*TP*TP*CP*CP*G)-3', CALCIUM ION, ...
Authors:Taylor, G.K, Stoddard, B.L.
Deposit date:2009-11-13
Release date:2010-05-19
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Computational reprogramming of homing endonuclease specificity at multiple adjacent base pairs.
Nucleic Acids Res., 38, 2010
3KO9
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BU of 3ko9 by Molmil
DTD from Plasmodium falciparum in complex with D-Arginine
Descriptor: D-ARGININE, D-tyrosyl-tRNA(Tyr) deacylase
Authors:Manickam, Y, Bhatt, T.K, Sharma, A.
Deposit date:2009-11-13
Release date:2009-12-01
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Ligand-bound Structures Provide Atomic Snapshots for the Catalytic Mechanism of D-Amino Acid Deacylase
J.Biol.Chem., 285, 2010
3KOM
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BU of 3kom by Molmil
Crystal structure of apo transketolase from Francisella tularensis
Descriptor: Transketolase
Authors:Anderson, S.M, Wawrzak, Z, Skarina, T, Gordon, E, Kwon, K, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2009-11-13
Release date:2009-12-01
Last modified:2021-10-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of apo transketolase from Francisella tularensis
TO BE PUBLISHED
3KZT
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BU of 3kzt by Molmil
Crystal structure of Protein of unknown function (NP_812423.1) from BACTEROIDES THETAIOTAOMICRON VPI-5482 at 2.10 A resolution
Descriptor: 1,2-ETHANEDIOL, SULFATE ION, uncharacterized protein
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2009-12-08
Release date:2010-02-02
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of Protein of unknown function (NP_812423.1) from BACTEROIDES THETAIOTAOMICRON VPI-5482 at 2.10 A resolution
To be published
3KPA
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BU of 3kpa by Molmil
Ubiquitin fold modifier conjugating enzyme from Leishmania major (probable)
Descriptor: probable Ubiquitin fold modifier conjugating enzyme
Authors:Han, G.W, Le Trong, I, Merritt, E.A, Structural Genomics of Pathogenic Protozoa Consortium (SGPP)
Deposit date:2009-11-16
Release date:2009-12-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Ubiquitin fold modifier conjugating enzyme from Leishmania major (probable)
To be Published
3KPO
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BU of 3kpo by Molmil
Crystal Structure of HLA B*4403 in complex with EEYLKAWTF, a mimotope
Descriptor: Beta-2-microglobulin, EEYLKAWTF, mimotope peptide, ...
Authors:Macdonald, W.A, Chen, Z, Gras, S, Archbold, J.K, Tynan, F.E, Clements, C.S, Bharadwaj, M, Kjer-Nielsen, L, Saunders, P.M, Wilce, M.C, Crawford, F, Stadinsky, B, Jackson, D, Brooks, A.G, Purcell, A.W, Kappler, J.W, Burrows, S.R, Rossjohn, J, McCluskey, J.
Deposit date:2009-11-16
Release date:2009-12-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:T cell allorecognition via molecular mimicry.
Immunity, 31, 2009
3KPV
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BU of 3kpv by Molmil
Crystal Structure of hPNMT in Complex AdoHcy and Adenine
Descriptor: ADENINE, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Drinkwater, N, Martin, J.L.
Deposit date:2009-11-17
Release date:2010-09-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors.
Biochem.J., 431, 2010
3KQD
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BU of 3kqd by Molmil
Factor xa in complex with the inhibitor 1-(3-(5-oxo-4,5- dihydro-1h-1,2,4-triazol-3-yl)phenyl)-6-(2'-(pyrrolidin-1- ylmethyl)biphenyl-4-yl)-3-(trifluoromethyl)-5,6-dihydro- 1h-pyrazolo[3,4-c]pyridin-7(4h)-one
Descriptor: 1-(3-(5-OXO-4,5-DIHYDRO-1H-1,2,4-TRIAZOL-3-YL)PHENYL)-6-(2'-(PYRROLIDIN-1-YLMETHYL)BIPHENYL-4-YL)-3-(TRIFLUOROMETHYL)-5,6-DIHYDRO-1H-PYRAZOLO[3,4-C]PYRIDIN-7(4H)-ONE, SODIUM ION, factor Xa heavy chain, ...
Authors:Sheriff, S.
Deposit date:2009-11-17
Release date:2010-02-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Phenyltriazolinones as potent factor Xa inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
3KQQ
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BU of 3kqq by Molmil
Crystal Structure of hPNMT in Complex AdoHcy and 2-Hydroxynicotinic acid
Descriptor: 2-oxo-1,2-dihydropyridine-3-carboxylic acid, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Drinkwater, N, Martin, J.L.
Deposit date:2009-11-17
Release date:2010-09-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors.
Biochem.J., 431, 2010
3L2X
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BU of 3l2x by Molmil
Crystal Structure of Spin Labeled T4 Lysozyme Mutant 115-119RX
Descriptor: 2-HYDROXYETHYL DISULFIDE, AZIDE ION, BETA-MERCAPTOETHANOL, ...
Authors:Fleissner, M.R, Cascio, D, Hubbell, W.L.
Deposit date:2009-12-15
Release date:2011-01-05
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure of Spin Labeled T4 Lysozyme Mutant 115-119RX
To be Published
3KTK
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BU of 3ktk by Molmil
Structure of ClpP in complex with ADEP2 in triclinic crystal form
Descriptor: ATP-dependent Clp protease proteolytic subunit, Acyldepsipeptide 2
Authors:Lee, B.-G, Brotz-Oesterhelt, H, Song, H.K.
Deposit date:2009-11-25
Release date:2010-03-23
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structures of ClpP in complex with acyldepsipeptide antibiotics reveal its activation mechanism
Nat.Struct.Mol.Biol., 17, 2010
3KO5
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BU of 3ko5 by Molmil
D-Tyr-tRNA(Tyr) deacylase from Plasmodium falciparum in complex with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, D-tyrosyl-tRNA(Tyr) deacylase
Authors:Manickam, Y, Bhatt, T.K, Sharma, A.
Deposit date:2009-11-13
Release date:2009-12-01
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Ligand-bound Structures Provide Atomic Snapshots for the Catalytic Mechanism of D-Amino Acid Deacylase
J.Biol.Chem., 285, 2010
3KOG
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BU of 3kog by Molmil
Crystal structure of Putative pore-forming toxin (YP_001301288.1) from Bacteroides vulgatus ATCC 8482 at 1.85 A resolution
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, ACETATE ION, GLYCEROL, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2009-11-13
Release date:2009-12-01
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structure of Putative pore-forming toxin (YP_001301288.1) from Bacteroides vulgatus ATCC 8482 at 1.85 A resolution
To be published
3KVJ
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BU of 3kvj by Molmil
Crystal Structure of Human Dihydroorotate Dehydrogenase (DHODH) with Amino-Benzoic Acid Inhibitor 105 at 1.94A Resolution
Descriptor: (4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, 2-[(cyclopropylcarbonyl)amino]-5-[methyl(pyridin-3-ylmethyl)amino]benzoic acid, ACETATE ION, ...
Authors:McLean, L, Zhang, Y.
Deposit date:2009-11-30
Release date:2010-03-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Discovery of novel inhibitors for DHODH via virtual screening and X-ray crystallographic structures.
Bioorg.Med.Chem.Lett., 20, 2010

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