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3P1J
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BU of 3p1j by Molmil
Crystal structure of human GTPase IMAP family member 2 in the nucleotide-free state
Descriptor: GTPase IMAP family member 2, UNKNOWN ATOM OR ION
Authors:Shen, L, Tempel, W, Tong, Y, Guan, X, Nedyalkova, L, Wernimont, A.K, Mackenzie, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Andrews, D.W, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2010-09-30
Release date:2010-10-13
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Crystal structure of human GTPase IMAP family member 2 in the nucleotide-free state
to be published
3P4P
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BU of 3p4p by Molmil
Crystal structure of Menaquinol:fumarate oxidoreductase in complex with fumarate
Descriptor: FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Tomasiak, T.M, Archuleta, T.L, Andr ll, J, Luna-Ch vez, C, Davis, T.A, Sarwar, M, Ham, A.J, McDonald, W.H, Yankowskaya, V, Stern, H.A, Johnston, J.N, Maklashina, E, Cecchini, G, Iverson, T.M.
Deposit date:2010-10-06
Release date:2010-12-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Geometric restraint drives on- and off-pathway catalysis by the Escherichia coli menaquinol:fumarate reductase.
J.Biol.Chem., 286, 2011
3P6X
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BU of 3p6x by Molmil
Crystal Structure of Cytochrome P450cam crystallized in the presence of a tethered substrate analog AdaC3-C8-Dans
Descriptor: Camphor 5-monooxygenase, N-[8-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)octyl]-3-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]propanamide, PROTOPORPHYRIN IX CONTAINING FE
Authors:Lee, Y.-T, Wilson, R.F, Glazer, E.C, Goodin, D.B.
Deposit date:2010-10-11
Release date:2010-11-17
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal Structure of Cytochrome P450cam crystallized in the presence of a tethered substrate analog AdaC3-C8-Dans
To be Published
3P3S
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BU of 3p3s by Molmil
Human transthyretin (TTR) complexed with (Z)-5-(3,5-dibromo-4-hydroxybenzylidene)-imino-1-methylimidazolidin-4-one
Descriptor: (5Z)-2-amino-5-(3,5-dibromo-4-hydroxybenzylidene)-1-methyl-1,5-dihydro-4H-imidazol-4-one, Transthyretin
Authors:Connelly, S, Wilson, I.A.
Deposit date:2010-10-05
Release date:2011-08-24
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Potent kinetic stabilizers that prevent transthyretin-mediated cardiomyocyte proteotoxicity.
Sci Transl Med, 3, 2011
3P4N
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BU of 3p4n by Molmil
Crystal Structure of H2-Kb in complex with the NP205-PV epitope YTVKFPNM, an 8-mer peptide from PV
Descriptor: ACETYL GROUP, Beta-2-microglobulin, H-2 class I histocompatibility antigen, ...
Authors:Gras, S, Guillonneau, C, Rossjohn, J.
Deposit date:2010-10-06
Release date:2011-10-12
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structure of H2-Kb in complex with the NP205-PV epitope YTVKFPNM, an 8-mer peptide from PV
To be Published
3P8J
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BU of 3p8j by Molmil
Y351S mutant of pentaerythritol tetranitrate reductase containing a bound acetate molecule
Descriptor: ACETATE ION, FLAVIN MONONUCLEOTIDE, Pentaerythritol tetranitrate reductase
Authors:Toogood, H.S, Scrutton, N.S.
Deposit date:2010-10-14
Release date:2011-04-06
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1 Å)
Cite:Active site modifications in pentaerythritol tetranitrate reductase can lead to improved product enantiopurity, decreased by-product formation and altered stereochemical outcome in reactions with a,b-unsaturated nitroolefins
Catalysis Science and Technology, 2011
3P56
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BU of 3p56 by Molmil
The structure of the human RNase H2 complex defines key interaction interfaces relevant to enzyme function and human disease
Descriptor: Ribonuclease H2 subunit A, Ribonuclease H2 subunit B, Ribonuclease H2 subunit C
Authors:Bubeck, D, Graham, S.C, Jones, E.Y.
Deposit date:2010-10-08
Release date:2010-11-17
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (4.06 Å)
Cite:The Structure of the Human RNase H2 Complex Defines Key Interaction Interfaces Relevant to Enzyme Function and Human Disease.
J.Biol.Chem., 286, 2011
3P5W
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Actinidin from Actinidia arguta planch (Sarusashi)
Descriptor: Actinidin, CADMIUM ION
Authors:Manickam, Y, Nirmal, N, Suzuki, A, Sugiyama, Y, Yamane, T, Devadasan, V, Sharma, A.
Deposit date:2010-10-11
Release date:2010-11-03
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural analysis of actinidin and a comparison of cadmium and sulfur anomalous signals from actinidin crystals measured using in-house copper- and chromium-anode X-ray sources
Acta Crystallogr.,Sect.D, 66, 2010
3P9P
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Structure of I274V variant of E. coli KatE
Descriptor: CIS-HEME D HYDROXYCHLORIN GAMMA-SPIROLACTONE, CIS-HEME D HYDROXYCHLORIN GAMMA-SPIROLACTONE 17R, 18S, ...
Authors:Loewen, P.C, Jha, V, Louis, S, Chelikani, P, Carpena, X, Fita, I.
Deposit date:2010-10-18
Release date:2010-12-22
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Modulation of heme orientation and binding by a single residue in catalase HPII of Escherichia coli.
Biochemistry, 50, 2011
3P6U
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Crystal Structure of Cytochrome P450cam crystallized in the presence of a tethered substrate analog AdaC3-C6-Dans
Descriptor: Camphor 5-monooxygenase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Lee, Y.-T, Wilson, R.F, Glazer, E.C, Goodin, D.B.
Deposit date:2010-10-11
Release date:2010-11-17
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal Structure of Cytochrome P450cam crystallized in the presence of a tethered substrate analog AdaC3-C6-Dans
To be Published
3OIW
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BU of 3oiw by Molmil
H-RasG12V with allosteric switch in the "on" state
Descriptor: ACETATE ION, CALCIUM ION, GTPase HRas, ...
Authors:Kumar, S, Buhrman, G, Mattos, C.
Deposit date:2010-08-20
Release date:2010-12-08
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Allosteric Modulation of Ras-GTP Is Linked to Signal Transduction through RAF Kinase.
J.Biol.Chem., 286, 2011
3OJC
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BU of 3ojc by Molmil
Crystal structure of a putative Asp/Glu Racemase from Yersinia pestis
Descriptor: CALCIUM ION, HEXANE-1,6-DIOL, Putative aspartate/glutamate racemase
Authors:Anderson, S.M, Wawrzak, Z, Kudritska, M, Kwon, K, Anderson, W.F, Savchenko, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2010-08-21
Release date:2010-09-15
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structure of a putative Asp/Glu Racemase from Yersinia pestis
To be Published
3OKD
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BU of 3okd by Molmil
Crystal structure of S25-39 in complex with Kdo
Descriptor: 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid, DI(HYDROXYETHYL)ETHER, S25-39 Fab (IgG1k) heavy chain, ...
Authors:Blackler, R.J, Evans, S.V.
Deposit date:2010-08-24
Release date:2011-04-06
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A Common NH53K Mutation in the Combining Site of Antibodies Raised against Chlamydial LPS Glycoconjugates Significantly Increases Avidity.
Biochemistry, 50, 2011
3P84
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BU of 3p84 by Molmil
Y351A mutant of pentaerythritol tetranitrate reductase containing a bound acetate molecule
Descriptor: ACETATE ION, FLAVIN MONONUCLEOTIDE, Pentaerythritol tetranitrate reductase
Authors:Toogood, H.S, Scrutton, N.S.
Deposit date:2010-10-13
Release date:2011-04-06
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Active site modifications in pentaerythritol tetranitrate reductase can lead to improved product enantiopurity, decreased by-product formation and altered stereochemical outcome in reactions with a,b-unsaturated nitroolefins
Catalysis Science and Technology, 2011
3OKV
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BU of 3okv by Molmil
Human Carbonic Anhydrase II A65S, N67Q (CA IX mimic) bound with 2-Ethylestrone 3-O-sulfamate
Descriptor: (9beta)-2-ethyl-17-oxoestra-1(10),2,4-trien-3-yl sulfamate, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
Authors:Sippel, K.H, Stander, B.A, Robbins, A.H, Tu, C.K, Agbandje-McKenna, M, Silverman, D.N, Joubert, A.M, McKenna, R.
Deposit date:2010-08-25
Release date:2011-07-06
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Characterization of Carbonic Anhydrase Isozyme Specific Inhibition by Sulfamated 2-Ethylestra Compounds
LETT.DRUG DES.DISCOVERY, 8, 2011
3OM2
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BU of 3om2 by Molmil
Crystal structure of B. megaterium levansucrase mutant D257A
Descriptor: CALCIUM ION, CITRIC ACID, Levansucrase, ...
Authors:Strube, C.P, Homann, A, Gamer, M, Jahn, D, Seibel, J, Heinz, D.W.
Deposit date:2010-08-26
Release date:2011-03-23
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Polysaccharide Synthesis of the Levansucrase SacB from Bacillus megaterium Is Controlled by Distinct Surface Motifs.
J.Biol.Chem., 286, 2011
3OYB
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BU of 3oyb by Molmil
Crystal structure of the Prototype Foamy Virus (PFV) intasome in complex with magnesium and the INSTI MK2048
Descriptor: (6S)-2-(3-chloro-4-fluorobenzyl)-8-ethyl-10-hydroxy-N,6-dimethyl-1,9-dioxo-1,2,6,7,8,9-hexahydropyrazino[1',2':1,5]pyrrolo[2,3-d]pyridazine-4-carboxamide, AMMONIUM ION, DNA (5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP*TP*CP*GP*CP*A)-3'), ...
Authors:Hare, S, Cherepanov, P.
Deposit date:2010-09-23
Release date:2010-11-17
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Molecular mechanisms of retroviral integrase inhibition and the evolution of viral resistance.
Proc.Natl.Acad.Sci.USA, 107, 2010
3OYQ
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BU of 3oyq by Molmil
Structure of Human Carbonic Anhydrase II complexed with 5,6-DIHYDRO-BENZO[H]CINNOLIN-3-YLAMINE
Descriptor: (4S)-4-methyl-N-(4-sulfamoylphenyl)hexanamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
Authors:Aggarwal, M, McKenna, R.
Deposit date:2010-09-23
Release date:2011-08-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Anticonvulsant 4-aminobenzenesulfonamide derivatives with branched-alkylamide moieties: X-ray crystallography and inhibition studies of human carbonic anhydrase isoforms I, II, VII, and XIV.
J.Med.Chem., 54, 2011
3ONR
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BU of 3onr by Molmil
Crystal structure of the calcium chelating immunodominant antigen, calcium dodecin (Rv0379),from Mycobacterium tuberculosis with a novel calcium-binding site
Descriptor: CALCIUM ION, FORMIC ACID, PLATINUM (II) ION, ...
Authors:Arulandu, A, Sacchettini, J.C.
Deposit date:2010-08-30
Release date:2011-03-16
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of calcium dodecin (Rv0379), from Mycobacterium tuberculosis with a unique calcium-binding site.
Protein Sci., 20, 2011
3OZB
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BU of 3ozb by Molmil
Crystal Structure of 5'-methylthioinosine phosphorylase from Psedomonas aeruginosa in complex with hypoxanthine
Descriptor: HYPOXANTHINE, Methylthioadenosine phosphorylase, SULFATE ION
Authors:Ho, M, Guan, R, Almo, S.C, Schramm, V.L.
Deposit date:2010-09-24
Release date:2011-08-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Methylthioinosine phosphorylase from Pseudomonas aeruginosa. Structure and annotation of a novel enzyme in quorum sensing.
Biochemistry, 50, 2011
3P0G
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BU of 3p0g by Molmil
Structure of a nanobody-stabilized active state of the beta2 adrenoceptor
Descriptor: 8-[(1R)-2-{[1,1-dimethyl-2-(2-methylphenyl)ethyl]amino}-1-hydroxyethyl]-5-hydroxy-2H-1,4-benzoxazin-3(4H)-one, Beta-2 adrenergic receptor, Lysozyme, ...
Authors:Rasmussen, S.G.F, Choi, H.-J, Fung, J.J, Pardon, E, Casarosa, P, Chae, P.S, DeVree, B.T, Rosenbaum, D.M, Thian, F.S, Kobilka, T.S, Schnapp, A, Konetzki, I, Sunahara, R.K, Gellman, S.H, Pautsch, A, Steyaert, J, Weis, W.I, Kobilka, B.K.
Deposit date:2010-09-28
Release date:2011-01-19
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structure of a nanobody-stabilized active state of the b2 adrenoceptor
Nature, 469, 2011
3OP6
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Crystal structure of an oligo-nucleotide binding protein (lpg1207) from Legionella pneumophila subsp. pneumophila str. philadelphia 1 at 2.00 A resolution
Descriptor: 1,2-ETHANEDIOL, Uncharacterized protein
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2010-08-31
Release date:2010-09-15
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of an oligo-nucleotide binding protein (lpg1207) from Legionella pneumophila subsp. pneumophila str. philadelphia 1 at 2.00 A resolution
To be published
3P2C
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Crystal structure of an exo-alpha-1,6-mannosidase (bacova_03347) from bacteroides ovatus at 1.60 a resolution
Descriptor: 1,2-ETHANEDIOL, Putative glycosyl hydrolase, TRIETHYLENE GLYCOL
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2010-10-01
Release date:2010-10-27
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of a putative glycosyl hydrolase (BACOVA_03347) from Bacteroides ovatus at 1.60 A resolution
To be published
3P3U
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BU of 3p3u by Molmil
Human transthyretin (TTR) complexed with 5-(2-ethoxyphenyl)-3-(pyridin-4-yl)-1,2,4-oxadiazole
Descriptor: 4-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]pyridine, Transthyretin
Authors:Connelly, S, Wilson, I.A.
Deposit date:2010-10-05
Release date:2011-08-24
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Potent kinetic stabilizers that prevent transthyretin-mediated cardiomyocyte proteotoxicity.
Sci Transl Med, 3, 2011
3P58
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BU of 3p58 by Molmil
Human Carbonic Anhydrase in complex with Benzyl (Methyl) Carbamodithoic Acid
Descriptor: Carbonic anhydrase 2, ZINC ION, benzyl(methyl)carbamodithioic acid
Authors:Aggarwal, M, McKenna, R.
Deposit date:2010-10-08
Release date:2011-10-19
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Dithiocarbamates: a new class of carbonic anhydrase inhibitors. Crystallographic and kinetic investigations.
Chem.Commun.(Camb.), 48, 2012

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