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3KTF
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BU of 3ktf by Molmil
Structure of the N-terminal BRCT domain of human microcephalin (MCPH1).
Descriptor: CHLORIDE ION, Microcephalin
Authors:Singh, N, Heroux, A, Thompson, J.R, Mer, G.
Deposit date:2009-11-25
Release date:2009-12-15
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure of N-terminal BRCT domain of human microcephalin (MCPH1)
To be Published
3JWR
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BU of 3jwr by Molmil
Crystal structure of chimeric PDE5/PDE6 catalytic domain complexed with 3-isobutyl-1-methylxanthine (IBMX) and PDE6 gamma-subunit inhibitory peptide 70-87.
Descriptor: 3-ISOBUTYL-1-METHYLXANTHINE, MAGNESIUM ION, Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit gamma, ...
Authors:Barren, B, Gakhar, L, Muradov, H, Boyd, K.K, Ramaswamy, S, Artemyev, N.O.
Deposit date:2009-09-18
Release date:2009-10-13
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.994 Å)
Cite:Structural basis of phosphodiesterase 6 inhibition by the C-terminal region of the gamma-subunit
Embo J., 28, 2009
3JZQ
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BU of 3jzq by Molmil
Human MDMX liganded with a 12mer peptide inhibitor (pDIQ)
Descriptor: Protein Mdm4, SULFATE ION, pDIQ peptide (12mer)
Authors:Schonbrunn, E, Phan, J.
Deposit date:2009-09-24
Release date:2009-11-10
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-based design of high affinity peptides inhibiting the interaction of p53 with MDM2 and MDMX.
J.Biol.Chem., 285, 2010
3JS2
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BU of 3js2 by Molmil
Crystal structure of minimal kinase domain of fibroblast growth factor receptor 1 in complex with 5-(2-thienyl)nicotinic acid
Descriptor: 5-(2-thienyl)nicotinic acid, Basic fibroblast growth factor receptor 1, PHOSPHATE ION
Authors:Bae, J.H, Ravindranathan, K.P, Mandiyan, V, Ekkati, A.R, Schlessinger, J, Jorgensen, W.L.
Deposit date:2009-09-09
Release date:2010-02-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of novel fibroblast growth factor receptor 1 kinase inhibitors by structure-based virtual screening
J.Med.Chem., 53, 2010
3JVG
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BU of 3jvg by Molmil
Crystal Structure of chicken CD1-1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, CHLORIDE ION, ...
Authors:Dvir, H, Wang, J, Zajonc, D.M.
Deposit date:2009-09-16
Release date:2010-02-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis for lipid-antigen recognition in avian immunity.
J.Immunol., 184, 2010
3HKK
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BU of 3hkk by Molmil
Structure of human Leukotriene C4 synthase in complex with glutathione sulfonate
Descriptor: GLUTATHIONE SULFONIC ACID, Leukotriene C4 synthase, PALMITIC ACID, ...
Authors:Rinaldo-Matthis, A, Haeggstrom, J.Z.
Deposit date:2009-05-24
Release date:2010-05-26
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Pre-steady state kinetics of human Leukotriene C4 synthase
To be Published
3HKU
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BU of 3hku by Molmil
Human carbonic anhydrase II in complex with topiramate
Descriptor: Carbonic anhydrase 2, ZINC ION, [(3aS,5aR,8aR,8bS)-2,2,7,7-tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-3a-yl]methyl sulfamate
Authors:Paul, B, Poulsen, S.-A, Hofmann, A.
Deposit date:2009-05-25
Release date:2009-10-13
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:S-glycosyl primary sulfonamides--a new structural class for selective inhibition of cancer-associated carbonic anhydrases.
J.Med.Chem., 52, 2009
3HKT
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BU of 3hkt by Molmil
Human carbonic anhydrase II in complex with alpha-D-Glucopyranosyl-(1->4)-1-thio-beta-D-glucopyranosylsulfonamide
Descriptor: Carbonic anhydrase 2, ZINC ION, alpha-D-galactopyranose-(1-4)-(1S)-1,5-anhydro-1-sulfamoyl-D-galactitol
Authors:Paul, B, Poulsen, S.-A, Hofmann, A.
Deposit date:2009-05-25
Release date:2009-10-13
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:S-glycosyl primary sulfonamides--a new structural class for selective inhibition of cancer-associated carbonic anhydrases.
J.Med.Chem., 52, 2009
3HZJ
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BU of 3hzj by Molmil
Crystal structure of the RabGAP domain of the RABGAP1L protein
Descriptor: RAB GTPase-activating protein 1-like, UNKNOWN ATOM OR ION
Authors:Nedyalkova, L, Tempel, W, Tong, Y, Zhong, N, MacKenzie, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2009-06-23
Release date:2009-07-14
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of the RabGAP domain of the RABGAP1L protein
To be Published
3HKV
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BU of 3hkv by Molmil
Human poly(ADP-ribose) polymerase 10, catalytic fragment in complex with an inhibitor 3-aminobenzamide
Descriptor: 3-aminobenzamide, PHOSPHATE ION, Poly [ADP-ribose] polymerase 10, ...
Authors:Karlberg, T, Moche, M, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Kotenyova, T, Kotzsch, A, Nielsen, T.K, Nordlund, P, Nyman, T, Persson, C, Roos, A.K, Sagemark, J, Schutz, P, Siponen, M.I, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Welin, M, Wisniewska, M, Schuler, H, Structural Genomics Consortium (SGC)
Deposit date:2009-05-26
Release date:2009-06-16
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Human Poly(Adp-Ribose) Polymerase 10, Catalytic Fragment in Complex with an Inhibitor 3-Aminobenzamide
To be Published
3HKY
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BU of 3hky by Molmil
HCV NS5B polymerase genotype 1b in complex with 1,5 benzodiazepine 6
Descriptor: (11S)-10-[(2,5-dimethyl-1,3-oxazol-4-yl)carbonyl]-11-{2-fluoro-4-[(2-methylprop-2-en-1-yl)oxy]phenyl}-3,3-dimethyl-2,3,4,5,10,11-hexahydrothiopyrano[3,2-b][1,5]benzodiazepin-6-ol 1,1-dioxide, CHLORIDE ION, RNA-directed RNA polymerase, ...
Authors:Nyanguile, O, De Bondt, H.L.
Deposit date:2009-05-26
Release date:2010-05-26
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:1a/1b subtype profiling of nonnucleoside polymerase inhibitors of hepatitis C virus
J.Virol., 84, 2010
3HLK
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BU of 3hlk by Molmil
Crystal structure of human mitochondrial acyl-CoA thioesterase (ACOT2)
Descriptor: Acyl-coenzyme A thioesterase 2, mitochondrial
Authors:Mandel, C.R, Tweel, B, Tong, L.
Deposit date:2009-05-27
Release date:2009-06-23
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of human mitochondrial acyl-CoA thioesterase (ACOT2)
Biochem.Biophys.Res.Commun., 385, 2009
3HON
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BU of 3hon by Molmil
Crystal Structure of Human Collagen XVIII Trimerization Domain (cubic form)
Descriptor: Collagen alpha-1(XVIII) chain
Authors:Boudko, S.P, Bachinger, H.P.
Deposit date:2009-06-02
Release date:2009-08-11
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structure of human collagen XVIII trimerization domain: A novel collagen trimerization Fold.
J.Mol.Biol., 392, 2009
3KZJ
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BU of 3kzj by Molmil
Structure of complement Factor H variant R1203A
Descriptor: Complement factor H, SULFATE ION
Authors:Bhattacharjee, A, Lehtinen, M.J, Kajander, T, Goldman, A, Jokiranta, T.S.
Deposit date:2009-12-08
Release date:2010-05-19
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Both domain 19 and domain 20 of factor H are involved in binding to complement C3b and C3d
Mol.Immunol., 47, 2010
3L4U
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BU of 3l4u by Molmil
Crystal complex of N-terminal Human Maltase-Glucoamylase with de-O-sulfonated kotalanol
Descriptor: (2R,3S,4S)-1-[(2S,3S,4R,5R,6S)-2,3,4,5,6,7-hexahydroxyheptyl]-3,4-dihydroxy-2-(hydroxymethyl)tetrahydrothiophenium (non-preferred name), 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Sim, L, Rose, D.R.
Deposit date:2009-12-21
Release date:2010-02-09
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:New glucosidase inhibitors from an ayurvedic herbal treatment for type 2 diabetes: structures and inhibition of human intestinal maltase-glucoamylase with compounds from Salacia reticulata.
Biochemistry, 49, 2010
3KVM
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BU of 3kvm by Molmil
Crystal structure of human dihydroorotate dehydrogenase (DHODH) with amino-benzoic acid inhibitor 951 at 2.00A resolution
Descriptor: (4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, 2-[(2E)-2-{[5-(2-chlorophenyl)furan-2-yl]methylidene}hydrazino]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 (2 Å)
Cite:Discovery of novel inhibitors for DHODH via virtual screening and X-ray crystallographic structures.
Bioorg.Med.Chem.Lett., 20, 2010
3L4Y
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BU of 3l4y by Molmil
Crystal complex of N-terminal Human Maltase-Glucoamylase with NR4-8II
Descriptor: (1S,2R,3S,4R)-1-{(1S)-2-[(2R,3S,4S)-3,4-dihydroxy-2-(hydroxymethyl)tetrahydrothiophenium-1-yl]-1-hydroxyethyl}-2,3,4,5-tetrahydroxypentyl sulfate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Sim, L, Rose, D.R.
Deposit date:2009-12-21
Release date:2010-02-09
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:New glucosidase inhibitors from an ayurvedic herbal treatment for type 2 diabetes: structures and inhibition of human intestinal maltase-glucoamylase with compounds from Salacia reticulata.
Biochemistry, 49, 2010
3KUQ
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BU of 3kuq by Molmil
Crystal structure of the DLC1 RhoGAP domain
Descriptor: Rho GTPase-activating protein 7, UNKNOWN ATOM OR ION
Authors:Nedyalkova, L, Tempel, W, Tong, Y, MacKenzie, F, Shen, L, Zhong, N, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2009-11-27
Release date:2010-01-26
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of the DLC1 RhoGAP domain
to be published
3HOV
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BU of 3hov by Molmil
Complete RNA polymerase II elongation complex II
Descriptor: 5'-D(*AP*GP*CP*TP*CP*AP*A*GP*TP*AP*GP*TP*TP*AP*TP*GP*CP*CP*(BRU)P*GP*GP*TP*CP*AP*TP*T)-3', 5'-D(*T*AP*CP*TP*AP*CP*TP*TP*GP*AP*GP*CP*T)-3', 5'-R(*UP*GP*CP*AP*UP*UP*UP*CP*GP*AP*CP*CP*AP*GP*GP*CP*A)-3', ...
Authors:Sydow, J.F, Brueckner, F, Cheung, A.C.M, Damsma, G.E, Dengl, S, Lehmann, E, Vassylyev, D, Cramer, P.
Deposit date:2009-06-03
Release date:2009-07-28
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structural basis of transcription: mismatch-specific fidelity mechanisms and paused RNA polymerase II with frayed RNA.
Mol.Cell, 34, 2009
3HVC
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BU of 3hvc by Molmil
Crystal structure of human p38alpha MAP kinase
Descriptor: 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE, Mitogen-activated protein kinase 14
Authors:Perry, J.J, Tainer, J.A.
Deposit date:2009-06-15
Release date:2009-06-30
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:p38alpha MAP kinase C-terminal domain binding pocket characterized by crystallographic and computational analyses.
J.Mol.Biol., 391, 2009
3HY4
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BU of 3hy4 by Molmil
Structure of human MTHFS with N5-iminium phosphate
Descriptor: 5-formyltetrahydrofolate cyclo-ligase, MAGNESIUM ION, N-({trans-4-[({(2R,4R,4aS,6S,8aS)-2-amino-4-hydroxy-5-[(phosphonooxy)methyl]decahydropteridin-6-yl}methyl)amino]cyclohexyl}carbonyl)-L-glutamic acid, ...
Authors:Wu, D, Li, Y, Song, G, Cheng, C, Shaw, N, Liu, Z.-J.
Deposit date:2009-06-22
Release date:2009-07-14
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.795 Å)
Cite:Structural basis for the inhibition of human 5,10-methenyltetrahydrofolate synthetase by N10-substituted folate analogues
Cancer Res., 69, 2009
3I4R
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BU of 3i4r by Molmil
Nup107(aa658-925)/Nup133(aa517-1156) complex, H.sapiens
Descriptor: Nuclear pore complex protein Nup107, Nuclear pore complex protein Nup133
Authors:Whittle, J.R.R, Schwartz, T.U.
Deposit date:2009-07-02
Release date:2009-08-11
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.53 Å)
Cite:Architectural nucleoporins Nup157/170 and Nup133 are structurally related and descend from a second ancestral element.
J.Biol.Chem., 284, 2009
3HNY
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BU of 3hny by Molmil
Factor VIII Trp2313-His2315 segment is involved in membrane binding as shown by crystal structure of complex between factor VIII C2 domain and an inhibitor
Descriptor: Coagulation factor VIII
Authors:Liu, Z, Yuan, C.
Deposit date:2009-06-01
Release date:2010-01-19
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.07 Å)
Cite:Trp2313-His2315 of factor VIII C2 domain is involved in membrane binding: structure of a complex between the C2 domain and an inhibitor of membrane binding.
J.Biol.Chem., 285, 2010
3HVE
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BU of 3hve by Molmil
Structures of SPOP-Substrate Complexes: Insights into Molecular Architectures of BTB-Cul3 Ubiquitin Ligases: GigaxoninBTB/3-box
Descriptor: Gigaxonin
Authors:Zhuang, M, Schulman, B.A.
Deposit date:2009-06-16
Release date:2009-10-27
Last modified:2018-06-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structures of SPOP-substrate complexes: insights into molecular architectures of BTB-Cul3 ubiquitin ligases.
Mol.Cell, 36, 2009
3HOU
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BU of 3hou by Molmil
Complete RNA polymerase II elongation complex I with a T-U mismatch
Descriptor: 5'-D(*A*AP*CP*TP*AP*CP*TP*TP*GP*AP*GP*CP*T)-3', 5'-D(*AP*GP*CP*TP*CP*A*AP*GP*TP*AP*GP*TP*TP*AP*TP*GP*CP*CP*(BRU)P*GP*GP*TP*CP*AP*TP*T)-3', 5'-R(*UP*GP*CP*AP*UP*U*UP*CP*GP*AP*CP*CP*AP*GP*GP*CP*U)-3', ...
Authors:Sydow, J.F, Brueckner, F, Cheung, A.C.M, Damsma, G.E, Dengl, S, Lehmann, E, Vassylyev, D, Cramer, P.
Deposit date:2009-06-03
Release date:2009-07-28
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural basis of transcription: mismatch-specific fidelity mechanisms and paused RNA polymerase II with frayed RNA.
Mol.Cell, 34, 2009

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