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3KA4
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BU of 3ka4 by Molmil
Frog M-ferritin with cobalt
Descriptor: CHLORIDE ION, COBALT (II) ION, Ferritin, ...
Authors:Tosha, T, Ng, H.L, Theil, E, Alber, T, Bhattasali, O.
Deposit date:2009-10-18
Release date:2010-10-06
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Moving Metal Ions through Ferritin-Protein Nanocages from Three-Fold Pores to Catalytic Sites.
J.Am.Chem.Soc., 132, 2010
3JXB
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BU of 3jxb by Molmil
Crystal structure of the P22 c2 repressor protein in complex with synthetic operator 9C
Descriptor: 5'-D(*CP*AP*TP*TP*TP*AP*AP*GP*AP*CP*GP*TP*CP*TP*TP*AP*AP*AP*TP*A)-3', 5'-D(*TP*AP*TP*TP*TP*AP*AP*GP*AP*CP*GP*TP*CP*TP*TP*AP*AP*AP*TP*G)-3', Repressor protein C2
Authors:Watkins, D, Koudelka, G.B, Williams, L.D.
Deposit date:2009-09-18
Release date:2010-01-19
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Sequence Recognition of DNA by Protein-Induced Conformational Transitions
J.Mol.Biol., 396, 2010
3JXJ
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BU of 3jxj by Molmil
Crystal structure of the chicken TRPV4 ankyrin repeat domain
Descriptor: PHOSPHATE ION, Vanilloid receptor-related osmotically activated channel protein
Authors:Phelps, C.B, Choo, S.S, Gaudet, R.
Deposit date:2009-09-19
Release date:2009-12-22
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Mutations in TRPV4 cause Charcot-Marie-Tooth disease type 2C.
Nat.Genet., 42, 2010
4V9B
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BU of 4v9b by Molmil
Crystal Structure of the 70S ribosome with tigecycline.
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S RIBOSOMAL PROTEIN S10, ...
Authors:Jenner, L, Yusupov, M, Yusupova, G.
Deposit date:2012-07-18
Release date:2014-07-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural basis for potent inhibitory activity of the antibiotic tigecycline during protein synthesis.
Proc.Natl.Acad.Sci.USA, 110, 2013
3JPS
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BU of 3jps by Molmil
Ternary complex of DNA polymerase beta with a dideoxy terminated primer and 2'-deoxyguanosine 5'-beta, gamma-fluoro methyl methylene triphosphate
Descriptor: 2'-deoxy-5'-O-[(S)-{[(S)-[(1R)-1-fluoro-1-phosphonoethyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine, 5'-D(*CP*CP*GP*AP*CP*CP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*(DOC))-3', ...
Authors:Batra, V.K, Upton, J, Kashmerov, B, Beard, W.A, Wilson, S.H, Goodman, M.F, McKenna, C.E.
Deposit date:2009-09-04
Release date:2010-06-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Halogenated beta,gamma-Methylene- and Ethylidene-dGTP-DNA Ternary Complexes with DNA Polymerase beta: Structural Evidence for Stereospecific Binding of the Fluoromethylene Analogues.
J.Am.Chem.Soc., 132, 2010
3JQR
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BU of 3jqr by Molmil
Crystal structure of the H286L mutant of Ferredoxin-NADP+ reductase from Plasmodium falciparum
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Ferredoxin NADP reductase
Authors:Canevari, G, Milani, M, Bolognesi, M.
Deposit date:2009-09-07
Release date:2010-01-12
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Plasmodium falciparum ferredoxin-NADP+ reductase His286 plays a dual role in NADP(H) binding and catalysis
Biochemistry, 48, 2009
3K6K
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BU of 3k6k by Molmil
Crystal structure at 2.2 angstrom of HSL-homolog EstE7 from a metagenome library
Descriptor: BETA-MERCAPTOETHANOL, Esterase/lipase, SULFATE ION
Authors:Hwang, K.Y, Nam, K.H.
Deposit date:2009-10-09
Release date:2009-10-27
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Biochemical and structural analysis of hormone-sensitive lipase homolog EstE7; Insight into the stabilized dimerization of HSL-homolog proteins
to be published
3K79
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BU of 3k79 by Molmil
C38A, C52V Cysteine-Free Variant of Rop (Rom)
Descriptor: Regulatory protein rop
Authors:Hari, S.B, Magliery, T.J.
Deposit date:2009-10-12
Release date:2010-02-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Cysteine-free Rop: a four-helix bundle core mutant has wild-type stability and structure but dramatically different unfolding kinetics.
Protein Sci., 19, 2010
3JR5
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BU of 3jr5 by Molmil
MutM lesion recognition control complex with N174C crosslinking site
Descriptor: DNA (5'-D(*AP*GP*GP*TP*AP*GP*AP*CP*TP*CP*GP*GP*AP*CP*GP*C)-3'), DNA (5'-D(*TP*GP*CP*GP*TP*CP*CP*(OGX)P*AP*GP*TP*CP*TP*AP*CP*C)-3'), DNA glycosylase, ...
Authors:Qi, Y, Spong, M.C, Verdine, G.L.
Deposit date:2009-09-08
Release date:2009-11-03
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.704 Å)
Cite:Entrapment and structure of an extrahelical guanine attempting to enter the active site of a bacterial DNA glycosylase, MutM.
J.Biol.Chem., 285, 2010
3K7D
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BU of 3k7d by Molmil
C-terminal (adenylylation) domain of E.coli Glutamine Synthetase Adenylyltransferase
Descriptor: Glutamate-ammonia-ligase adenylyltransferase, SULFATE ION
Authors:Xu, Y, Carr, P.D, Vasudevan, S.G, Ollis, D.L.
Deposit date:2009-10-12
Release date:2009-12-15
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of the Adenylylation Domain of E. coli Glutamine Synthetase Adenylyl Transferase: Evidence for Gene Duplication and Evolution of a New Active Site.
J.Mol.Biol., 396, 2010
3K87
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BU of 3k87 by Molmil
Crystal structure of NADH:FAD oxidoreductase (TftC) - FAD complex
Descriptor: Chlorophenol-4-monooxygenase component 1, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Kang, C.H, Webb, B.N.
Deposit date:2009-10-13
Release date:2009-11-10
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Characterization of chlorophenol 4-monooxygenase (TftD) and NADH:FAD oxidoreductase (TftC) of Burkholderia cepacia AC1100.
J.Biol.Chem., 285, 2010
3CCC
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BU of 3ccc by Molmil
Crystal Structure of Human DPP4 in complex with a benzimidazole derivative
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 7-(aminomethyl)-6-(2-chlorophenyl)-1-methyl-1H-benzimidazole-5-carbonitrile, ...
Authors:Wallace, M.B, Skene, R.J.
Deposit date:2008-02-25
Release date:2008-10-21
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Structure-based design and synthesis of benzimidazole derivatives as dipeptidyl peptidase IV inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
3JSF
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BU of 3jsf by Molmil
Crystal structure of macrophage migration inhibitory factor (mif) with hydroxyquinoline inhibitor 638 at 1.93a resolution
Descriptor: 7-(2-fluorobenzyl)quinolin-8-ol, Macrophage migration inhibitory factor, SULFATE ION
Authors:Mclean, L, Zhang, Y.
Deposit date:2009-09-10
Release date:2009-11-10
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Discovery of covalent inhibitors for MIF tautomerase via cocrystal structures with phantom hits from virtual screening.
Bioorg.Med.Chem.Lett., 19, 2009
3KA6
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BU of 3ka6 by Molmil
Frog M-ferritin, EED mutant, with cobalt
Descriptor: CHLORIDE ION, COBALT (II) ION, Ferritin, ...
Authors:Tosha, T, Ng, H.L, Theil, E, Alber, T, Bhattasali, O.
Deposit date:2009-10-18
Release date:2010-10-06
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Moving Metal Ions through Ferritin-Protein Nanocages from Three-Fold Pores to Catalytic Sites.
J.Am.Chem.Soc., 132, 2010
5JB8
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BU of 5jb8 by Molmil
Crystal structure of factor IXa variant K98T in complex with EGR-chloromethylketone
Descriptor: CALCIUM ION, Coagulation factor IX, DIMETHYL SULFOXIDE, ...
Authors:Kristensen, L.H, Brandstetter, H.
Deposit date:2016-04-13
Release date:2016-06-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Releasing the brakes in coagulation Factor IXa by co-operative maturation of the substrate-binding site.
Biochem.J., 473, 2016
3JVI
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BU of 3jvi by Molmil
Product state mimic crystal structure of protein tyrosine phosphatase from Entamoeba histolytica
Descriptor: Protein tyrosine phosphatase, SULFATE ION
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2009-09-16
Release date:2009-09-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure and putative substrate identification for the Entamoeba histolytica low molecular weight tyrosine phosphatase.
Mol.Biochem.Parasitol., 193, 2014
4UW1
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BU of 4uw1 by Molmil
X-ray crystal structure of human TNKS in complex with a small molecule inhibitor
Descriptor: 1,2-ETHANEDIOL, 3-{4-[(dimethylamino)methyl]phenyl}-5-methoxyisoquinolin-1(2H)-one, GLYCEROL, ...
Authors:Oliver, A.W, Rajasekaran, M.B, Pearl, L.H.
Deposit date:2014-08-08
Release date:2015-07-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.37 Å)
Cite:Design and Discovery of 3-Aryl-5-Substituted-Isoquinolin-1-Ones as Potent and Selective Tankyrase Inhibitors
Medchemcommm, 6, 2015
3K3H
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BU of 3k3h by Molmil
Crystal structure of the PDE9A catalytic domain in complex with (S)-BAY73-6691
Descriptor: 1-(2-chlorophenyl)-6-[(2S)-3,3,3-trifluoro-2-methylpropyl]-1,7-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ...
Authors:Wang, H, Luo, X, Ye, M, Hou, J, Robinson, H, Ke, H.
Deposit date:2009-10-02
Release date:2010-02-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Insight into Binding of Phosphodiesterase-9A Selective Inhibitors by Crystal Structures and Mutagenesis
J.Med.Chem., 53, 2010
3K9B
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BU of 3k9b by Molmil
Crystal structure of human liver carboxylesterase 1 (hCE1) in covalent complex with the nerve agent Cyclosarin (GF)
Descriptor: Liver carboxylesterase 1, cyclohexyl (S)-methylphosphonofluoridoate
Authors:Hemmert, A.C, Redinbo, M.R.
Deposit date:2009-10-15
Release date:2010-01-19
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Human carboxylesterase 1 stereoselectively binds the nerve agent cyclosarin and spontaneously hydrolyzes the nerve agent sarin.
Mol.Pharmacol., 77, 2010
5JBC
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BU of 5jbc by Molmil
Crystal structure of factor IXa variant V16I K98T Y177T I213V in complex with PPACK
Descriptor: CALCIUM ION, Coagulation factor IX, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide
Authors:Kristensen, L.H, Brandstetter, H.
Deposit date:2016-04-13
Release date:2016-06-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Releasing the brakes in coagulation Factor IXa by co-operative maturation of the substrate-binding site.
Biochem.J., 473, 2016
3JPN
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BU of 3jpn by Molmil
Ternary complex of DNA polymerase beta with a dideoxy terminated primer and 2'-deoxyguanosine 5'-beta, gamma-dichloro methylene triphosphate
Descriptor: 2'-deoxy-5'-O-[(S)-{[(R)-[dichloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine, 5'-D(*CP*CP*GP*AP*CP*CP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*(DOC))-3', ...
Authors:Batra, V.K, Upton, J, Kashmerov, B, Beard, W.A, Wilson, S.H, Goodman, M.F, McKenna, C.E.
Deposit date:2009-09-04
Release date:2010-06-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Halogenated beta,gamma-Methylene- and Ethylidene-dGTP-DNA Ternary Complexes with DNA Polymerase beta: Structural Evidence for Stereospecific Binding of the Fluoromethylene Analogues.
J.Am.Chem.Soc., 132, 2010
3JPR
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BU of 3jpr by Molmil
Ternary complex of DNA polymerase beta with a dideoxy terminated primer and 2'-deoxyguanosine 5'-beta, gamma-dimethyl methylene triphosphate
Descriptor: 2'-deoxy-5'-O-[(S)-hydroxy{[(S)-hydroxy(1-methyl-1-phosphonoethyl)phosphoryl]oxy}phosphoryl]guanosine, 5'-D(*CP*CP*GP*AP*CP*CP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*(DOC))-3', ...
Authors:Batra, V.K, Upton, J, Kashmerov, B, Beard, W.A, Wilson, S.H, Goodman, M.F, McKenna, C.E.
Deposit date:2009-09-04
Release date:2010-06-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Halogenated beta,gamma-Methylene- and Ethylidene-dGTP-DNA Ternary Complexes with DNA Polymerase beta: Structural Evidence for Stereospecific Binding of the Fluoromethylene Analogues.
J.Am.Chem.Soc., 132, 2010
3JSE
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BU of 3jse by Molmil
Crystal structure of archaeal 20S proteasome in complex with mutated P26 activator
Descriptor: Proteasome activator protein PA26, Proteasome subunit alpha, Proteasome subunit beta
Authors:Stadtmueller, B.M, Whitby, F.G, Hill, C.P.
Deposit date:2009-09-10
Release date:2009-11-03
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural models for interactions between the 20S proteasome and its PAN/19S activators.
J.Biol.Chem., 285, 2010
3JTQ
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BU of 3jtq by Molmil
Mutations in Cephalosporin Acylase Affecting Stability and Autoproteolysis
Descriptor: GLYCEROL, Glutaryl 7-aminocephalosporanic acid acylase
Authors:Cho, K.J, Kim, J.K, Lee, J.H, Shin, H.J, Park, S.S, Kim, K.H.
Deposit date:2009-09-14
Release date:2010-01-26
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural features of cephalosporin acylase reveal the basis of autocatalytic activation.
Biochem.Biophys.Res.Commun., 390, 2009
3K8N
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BU of 3k8n by Molmil
Crystal structure of E. Coli CCMG
Descriptor: Cytochrome c biogenesis protein ccmG
Authors:Savage, D, Newby, Z, Stroud, R.M, Center for Structures of Membrane Proteins (CSMP)
Deposit date:2009-10-14
Release date:2010-03-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of E. Coli CCMG
To be Published

223532

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