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3QLH
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HIV-1 Reverse Transcriptase in Complex with Manicol at the RNase H Active Site and TMC278 (Rilpivirine) at the NNRTI Binding Pocket
分子名称: (2S)-5,7-dihydroxy-9-methyl-2-(prop-1-en-2-yl)-1,2,3,4-tetrahydro-6H-benzo[7]annulen-6-one, 1,2-ETHANEDIOL, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, ...
著者Himmel, D.M, Wojtak, K, Bauman, J.D, Arnold, E.
登録日2011-02-02
公開日2011-12-21
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Synthesis, activity, and structural analysis of novel alpha-hydroxytropolone inhibitors of human immunodeficiency virus reverse transcriptase-associated ribonuclease H.
J.Med.Chem., 54, 2011
3G43
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BU of 3g43 by Molmil
Crystal structure of the calmodulin-bound Cav1.2 C-terminal regulatory domain dimer
分子名称: CALCIUM ION, Calmodulin, Voltage-dependent L-type calcium channel subunit alpha-1C
著者Fallon, J.L, Quiocho, F.A.
登録日2009-02-03
公開日2009-03-03
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of dimeric cardiac L-type calcium channel regulatory domains bridged by Ca2+{middle dot}calmodulins.
Proc.Natl.Acad.Sci.USA, 106, 2009
3G4Z
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BU of 3g4z by Molmil
Crystal Structure of NiSOD Y9F mutant at 1.9 A
分子名称: BROMIDE ION, NICKEL (II) ION, Superoxide dismutase [Ni]
著者Garman, S.C, Guce, A.I, Herbst, R.W, Bryngelson, P.A, Cabelli, D.E, Higgins, K.A, Ryan, K.C, Maroney, M.J.
登録日2009-02-04
公開日2009-04-28
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Role of conserved tyrosine residues in NiSOD catalysis: a case of convergent evolution
Biochemistry, 48, 2009
3G5D
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BU of 3g5d by Molmil
Kinase domain of cSrc in complex with Dasatinib
分子名称: GLYCEROL, N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE, Proto-oncogene tyrosine-protein kinase Src
著者Grutter, C, Kluter, S, Rauh, D.
登録日2009-02-05
公開日2009-06-02
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Hybrid compound design to overcome the gatekeeper T338M mutation in cSrc
J.Med.Chem., 52, 2009
3QGJ
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BU of 3qgj by Molmil
1.3A Structure of alpha-Lytic Protease Bound to Ac-AlaAlaPro-Alanal
分子名称: 1,2-ETHANEDIOL, Ac-AlaAlaPro-Alanal peptide, Alpha-lytic protease, ...
著者Everill, P, Meinke, G, Bohm, A, Bachovchin, W.
登録日2011-01-24
公開日2012-02-01
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Substrate Binding Defines Ser195 Position in the Catalytic Triad of Serine Proteases, Not His57 protonation
To be Published
3FUR
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BU of 3fur by Molmil
Crystal Structure of PPARg in complex with INT131
分子名称: 2,4-dichloro-N-[3,5-dichloro-4-(quinolin-3-yloxy)phenyl]benzenesulfonamide, CHLORIDE ION, Nuclear receptor coactivator 1, ...
著者Wang, Z, Liu, J, Walker, N.
登録日2009-01-14
公開日2009-06-09
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献INT131: a selective modulator of PPAR gamma.
J.Mol.Biol., 386, 2009
3QO1
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Monoclinic form of IgG1 Fab fragment (apo form) sharing same Fv as IgA
分子名称: Fab fragment of IMMUNOGLOBULIN G1 HEAVY CHAIN, Fab fragment of IMMUNOGLOBULIN G1 LIGHT CHAIN, GLYCEROL
著者Trajtenberg, F, Correa, A, Buschiazzo, A.
登録日2011-02-09
公開日2012-02-15
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure of a human IgA1 Fab fragment at 1.55 angstrom resolution: potential effect of the constant domains on antigen-affinity modulation
Acta Crystallogr.,Sect.D, 69, 2013
3G84
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Crystal structure of the trimeric neck and carbohydrate recognition domain of R343V mutant of human surfactant protein D in complex with alpha 1,2 dimannose.
分子名称: CALCIUM ION, Pulmonary surfactant-associated protein D, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose
著者Head, J.F.
登録日2009-02-11
公開日2009-03-17
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Recognition of mannosylated ligands and influenza A virus by human surfactant protein D: contributions of an extended site and residue 343.
Biochemistry, 48, 2009
3QPN
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Structure of PDE10-inhibitor complex
分子名称: 6-methoxy-7-[2-(quinolin-2-yl)ethoxy]quinazoline, MAGNESIUM ION, SULFATE ION, ...
著者Pandit, J, Marr, E.S.
登録日2011-02-14
公開日2011-06-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Use of Structure-Based Design to Discover a Potent, Selective, In Vivo Active Phosphodiesterase 10A Inhibitor Lead Series for the Treatment of Schizophrenia.
J.Med.Chem., 54, 2011
3QH7
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BU of 3qh7 by Molmil
2.5 A resolution structure of Se-Met labeled CT296 from Chlamydia trachomatis
分子名称: CT296
著者Kemege, K, Hickey, J, Lovell, S, Battaile, K.P, Zhang, Y, Hefty, P.S.
登録日2011-01-25
公開日2011-10-05
最終更新日2018-10-10
実験手法X-RAY DIFFRACTION (2.497 Å)
主引用文献Ab initio structural modeling of and experimental validation for Chlamydia trachomatis protein CT296 reveal structural similarity to Fe(II) 2-oxoglutarate-dependent enzymes.
J. Bacteriol., 193, 2011
3FVQ
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Crystal structure of the nucleotide binding domain FbpC complexed with ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, Fe(3+) ions import ATP-binding protein fbpC
著者Newstead, S, Bilton, P, Carpenter, E.P, Campopiano, D, Iwata, S.
登録日2009-01-16
公開日2009-08-25
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Insights into how nucleotide-binding domains power ABC transport.
Structure, 17, 2009
3QHX
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BU of 3qhx by Molmil
Crystal Structure of Cystathionine gamma-synthase MetB (Cgs) from Mycobacterium ulcerans Agy99 bound to HEPES
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Cystathionine gamma-synthase MetB (Cgs), GLYCEROL, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2011-01-26
公開日2011-03-02
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structure of the cystathionine [gamma]-synthase MetB from Mycobacterium ulcerans
Acta Crystallogr.,Sect.F, 67, 2011
3QR9
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BU of 3qr9 by Molmil
Anthranilate phosphoribosyltransferase (trpD) from Mycobacterium tuberculosis (apo structure)
分子名称: Anthranilate phosphoribosyltransferase, GLYCEROL
著者Castell, A, Short, F.L, Lott, J.S, TB Structural Genomics Consortium (TBSGC)
登録日2011-02-17
公開日2011-06-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献The Substrate Capture Mechanism of Mycobacterium tuberculosis Anthranilate Phosphoribosyltransferase Provides a Mode for Inhibition.
Biochemistry, 52, 2013
3QIX
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BU of 3qix by Molmil
Crystal Structure of BoNT/A LC with Zinc bound
分子名称: 1,2-ETHANEDIOL, Botulinum neurotoxin type A, ZINC ION
著者Thompson, A.A, Han, G.W, Stevens, R.C.
登録日2011-01-28
公開日2011-04-13
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.413 Å)
主引用文献Structural Characterization of Three Novel Hydroxamate-Based Zinc Chelating Inhibitors of the Clostridium botulinum Serotype A Neurotoxin Light Chain Metalloprotease Reveals a Compact Binding Site Resulting from 60/70 Loop Flexibility.
Biochemistry, 50, 2011
3FX0
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BU of 3fx0 by Molmil
Crystal structure of Human NEMO CC2_LZ domain
分子名称: NF-kappa-B essential modulator
著者Lo, Y.C, Lin, S.C, Wu, H.
登録日2009-01-19
公開日2009-04-07
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structural basis for recognition of diubiquitins by NEMO.
Mol.Cell, 33, 2009
3GAH
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BU of 3gah by Molmil
Structure of a F112H variant PduO-type ATP:corrinoid adenosyltransferase from Lactobacillus reuteri complexed with cobalamin and ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, COBALAMIN, Cobalamin adenosyltransferase PduO-like protein, ...
著者St Maurice, M, Mera, P.E, Escalante-Semerena, J.C, Rayment, I.
登録日2009-02-17
公開日2009-07-07
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.17 Å)
主引用文献Residue Phe112 of the human-type corrinoid adenosyltransferase (PduO) enzyme of Lactobacillus reuteri is critical to the formation of the four-coordinate Co(II) corrinoid substrate and to the activity of the enzyme.
Biochemistry, 48, 2009
3QSI
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BU of 3qsi by Molmil
Nickel binding domain of NikR from Helicobacter pylori disclosing partial metal occupancy
分子名称: NICKEL (II) ION, NikR nickel-responsive regulator, SULFATE ION
著者Gonzalez, J.M, Pozharski, E.
登録日2011-02-21
公開日2012-04-04
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (3.08 Å)
主引用文献Ni(II) coordination to mixed sites modulates DNA binding of HpNikR via a long-range effect.
Proc.Natl.Acad.Sci.USA, 109, 2012
3QU1
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Peptide deformylase from Vibrio cholerae
分子名称: CHLORIDE ION, Peptide deformylase 2, SULFATE ION, ...
著者Osipiuk, J, Mulligan, R, Papazisi, L, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2011-02-23
公開日2011-03-09
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Peptide deformylase from Vibrio cholerae.
To be Published
3QK7
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BU of 3qk7 by Molmil
Crystal structure of putative Transcriptional regulator from Yersinia pestis biovar Microtus str. 91001
分子名称: Transcriptional regulators
著者Malashkevich, V.N, Toro, R, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2011-01-31
公開日2011-02-09
最終更新日2021-02-10
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure of putative Transcriptional regulator from Yersinia pestis biovar Microtus str. 91001
To be Published
3GCN
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Crystal structure of DegS H198P/D320A mutant modified by DFP in complex with OMP peptide (YQF)
分子名称: Protease degS, YQF peptide
著者Sohn, J, Sauer, R.T, Grant, R.A.
登録日2009-02-22
公開日2009-03-31
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (3.002 Å)
主引用文献Mechanisms of allosteric activation of the DegS protease by OMP-peptide binding and protein-substrate binding
To be Published
3QUF
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The structure of a family 1 extracellular solute-binding protein from Bifidobacterium longum subsp. infantis
分子名称: ACETIC ACID, Extracellular solute-binding protein, family 1, ...
著者Cuff, M.E, Xu, X, Cui, H, Chin, S, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2011-02-23
公開日2011-05-04
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The structure of a family 1 extracellular solute-binding protein from Bifidobacterium longum subsp. infantis
TO BE PUBLISHED
3FYM
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The 1A structure of YmfM, a putative DNA-binding membrane protein from Staphylococcus aureus
分子名称: Putative uncharacterized protein, ZINC ION
著者Xu, L, Sedelnikova, S.E, Baker, P.J, Rice, D.W.
登録日2009-01-22
公開日2010-02-09
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献The 1A structure of YmfM, a putative DNA-binding membrane protein from Staphylococcus aureus
To be Published
3QL2
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Crystal Structure of Ribonuclease A Variant A4C/D83E/V118C
分子名称: Ribonuclease pancreatic, SULFATE ION
著者Arnold, U, Schoepfel, M.
登録日2011-02-02
公開日2012-02-29
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Significant stabilization of ribonuclease A by additive effects
Febs J., 279, 2012
3QV2
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Structure Analysis of Entamoeba histolytica methyltransferase EhMeth
分子名称: 5-cytosine DNA methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE, SULFATE ION
著者Schulz, E.C, Roth, H.M, Ankri, S, Ficner, R.
登録日2011-02-25
公開日2012-04-11
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Crystal Structure Analysis of Entamoeba histolytica Methyltransferase
To be Published
3QLN
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Crystal structure of ATRX ADD domain in free state
分子名称: Transcriptional regulator ATRX, ZINC ION
著者Li, H, Patel, D.J.
登録日2011-02-03
公開日2011-06-15
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.901 Å)
主引用文献ATRX ADD domain links an atypical histone methylation recognition mechanism to human mental-retardation syndrome
Nat.Struct.Mol.Biol., 18, 2011

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