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6ZCM
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BU of 6zcm by Molmil
Crystal structure of YTHDC1 with compound DHU_DC1_180
分子名称: 6-[[cyclopropyl-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]amino]methyl]-1~{H}-pyrimidine-2,4-dione, SULFATE ION, YTHDC1
著者Bedi, R.K, Huang, D, Wiedmer, L, Caflisch, A.
登録日2020-06-11
公開日2020-07-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献Atomistic and Thermodynamic Analysis of N6-Methyladenosine (m 6 A) Recognition by the Reader Domain of YTHDC1.
J Chem Theory Comput, 17, 2021
4FQS
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BU of 4fqs by Molmil
Crystal Structure of Mycobacterium tuberculosis ThyA in complex with UMP and Pemetrexed
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYLAMINO}-PENTANEDIOIC ACID, Thymidylate synthase
著者Reddy, M.C.M, Bruning, J.B, Harshbarger, W, Sacchettini, J.C.
登録日2012-06-25
公開日2013-08-07
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of binary and ternary complexes of thymidylate synthase (ThyA) from Mycobacterium tuberculosis: insights into the selectivity and mode of inhibition
To be Published
8RX9
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BU of 8rx9 by Molmil
LTA4 hydrolase in complex with compound3
分子名称: 1-[[5-[5-(1~{H}-pyrazol-5-yl)pyridin-2-yl]oxypyridin-2-yl]methyl]piperidin-4-ol, ACETATE ION, IMIDAZOLE, ...
著者Srinivas, H.
登録日2024-02-06
公開日2024-03-20
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structure-Guided Elaboration of a Fragment-Like Hit into an Orally Efficacious Leukotriene A4 Hydrolase Inhibitor.
J.Med.Chem., 67, 2024
5VXS
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BU of 5vxs by Molmil
Crystal Structure Analysis of human CLYBL in apo form
分子名称: CITRIC ACID, Citrate lyase subunit beta-like protein, mitochondrial
著者Shen, H.
登録日2017-05-24
公開日2017-11-01
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.954 Å)
主引用文献The Human Knockout Gene CLYBL Connects Itaconate to Vitamin B12.
Cell, 171, 2017
4FOA
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BU of 4foa by Molmil
Crystal Structure of the Mtb ThyA in Complex with 5-fluoro-dUMP
分子名称: 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, Thymidylate synthase
著者Reddy, M.C.M, Bruning, J.B, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日2012-06-20
公開日2013-08-07
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.253 Å)
主引用文献Crystal structure of binary and ternary complexes of thymidylate synthase (ThyA) from Mycobacterium tuberculosis: Insights into the selectivity and mode of inhibition
To be Published
3HB9
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BU of 3hb9 by Molmil
Crystal Structure of S. aureus Pyruvate Carboxylase A610T Mutant
分子名称: 5-(HEXAHYDRO-2-OXO-1H-THIENO[3,4-D]IMIDAZOL-6-YL)PENTANAL, ADENOSINE-5'-DIPHOSPHATE, MANGANESE (II) ION, ...
著者Tong, L, Yu, L.P.C.
登録日2009-05-04
公開日2009-06-30
最終更新日2021-10-13
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献A Symmetrical Tetramer for S. aureus Pyruvate Carboxylase in Complex with Coenzyme A.
Structure, 17, 2009
8RX3
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BU of 8rx3 by Molmil
LTA4 hydrolase in complex with CTX-4430
分子名称: 4-[[(1~{S},4~{S})-5-[[4-[4-(1,3-oxazol-2-yl)phenoxy]phenyl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]benzoic acid, ACETATE ION, IMIDAZOLE, ...
著者Srinivas, H.
登録日2024-02-06
公開日2024-03-20
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure-Guided Elaboration of a Fragment-Like Hit into an Orally Efficacious Leukotriene A4 Hydrolase Inhibitor.
J.Med.Chem., 67, 2024
8RX7
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BU of 8rx7 by Molmil
LTA4 hydrolase in complex with compound2
分子名称: 5-(4-phenoxyphenyl)-1~{H}-imidazole, ACETATE ION, IMIDAZOLE, ...
著者Srinivas, H.
登録日2024-02-06
公開日2024-03-20
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure-Guided Elaboration of a Fragment-Like Hit into an Orally Efficacious Leukotriene A4 Hydrolase Inhibitor.
J.Med.Chem., 67, 2024
5VVL
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BU of 5vvl by Molmil
Cas1-Cas2 bound to full-site mimic with Ni
分子名称: CRISPR-associated endonuclease Cas1, CRISPR-associated endoribonuclease Cas2, DNA (11-MER), ...
著者Wright, A.V, Knott, G.J, Doxzen, K.D, Doudna, J.A.
登録日2017-05-19
公開日2017-08-02
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.31 Å)
主引用文献Structures of the CRISPR genome integration complex.
Science, 357, 2017
4V5P
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BU of 4v5p by Molmil
The crystal structure of EF-Tu and A9C-tRNA-Trp bound to a near- cognate codon on the 70S ribosome
分子名称: 16S RRNA, 23S RIBOSOMAL RNA, 30S RIBOSOMAL PROTEIN S10, ...
著者Schmeing, T.M, Voorhees, R.M, Ramakrishnan, V.
登録日2010-12-07
公開日2014-07-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献How Mutations in tRNA Distant from the Anticodon Affect the Fidelity of Decoding.
Nat.Struct.Mol.Biol., 18, 2011
4FIA
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BU of 4fia by Molmil
Crystal Structure of Human CYP46A1 P450 with bicalutamide Bound
分子名称: Cholesterol 24-hydroxylase, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Stout, C.D, Pikuleva, I.A, Mast, N.
登録日2012-06-08
公開日2013-01-09
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Binding of a cyano- and fluoro-containing drug bicalutamide to cytochrome P450 46A1: unusual features and spectral response.
J.Biol.Chem., 288, 2013
4FME
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BU of 4fme by Molmil
EspG-Rab1-Arf6 complex
分子名称: ADP-ribosylation factor 6, ALUMINUM FLUORIDE, EspG protein, ...
著者Shao, F, Zhu, Y.
登録日2012-06-16
公開日2012-09-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (4.1 Å)
主引用文献Structurally Distinct Bacterial TBC-like GAPs Link Arf GTPase to Rab1 Inactivation to Counteract Host Defenses.
Cell(Cambridge,Mass.), 150, 2012
3UDZ
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BU of 3udz by Molmil
Inositol 1,3,4,5,6-pentakisphosphate 2-kinase from A. thaliana in complex with ADP and IP6.
分子名称: ADENOSINE-5'-DIPHOSPHATE, INOSITOL HEXAKISPHOSPHATE, Inositol pentakisphosphate 2-kinase, ...
著者Gosein, V, Leung, T.-F, Krajden, O, Miller, G.J.
登録日2011-10-28
公開日2012-03-14
最終更新日2020-10-14
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Inositol phosphate-induced stabilization of inositol 1,3,4,5,6-pentakisphosphate 2-kinase and its role in substrate specificity.
Protein Sci., 21, 2012
1MV8
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BU of 1mv8 by Molmil
1.55 A crystal structure of a ternary complex of GDP-mannose dehydrogenase from Psuedomonas aeruginosa
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, ACETIC ACID, GDP-mannose 6-dehydrogenase, ...
著者Snook, C.F, Tipton, P.A, Beamer, L.J.
登録日2002-09-24
公開日2003-05-06
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献The crystal structure of GDP-mannose dehydrogenase: A key enzyme in alginate biosynthesis of P. aeruginosa
Biochemistry, 42, 2003
1N0N
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BU of 1n0n by Molmil
Catalytic and Structural Effects of Amino-Acid Substitution at His30 in Human Manganese Superoxide Dismutase
分子名称: MANGANESE (II) ION, SULFATE ION, Superoxide dismutase [Mn]
著者Borgstahl, G.E.O, Parge, H.E, Hickey, M.J, Beyer Jr, W.F, Hallewell, R.A, Tainer, J.A.
登録日2002-10-14
公開日2002-11-06
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Catalytic and Structural Effects of Amino-Acid Substitution at His30 in Human Manganese Superoxide Dismutase
to be published
3UJG
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BU of 3ujg by Molmil
Crystal structure of SnRK2.6 in complex with HAB1
分子名称: MAGNESIUM ION, Protein phosphatase 2C 16, SULFATE ION, ...
著者Zhou, X.E, Soon, F.-F, Ng, L.-M, Kovach, A, Tan, M.H.E, Suino-Powell, K.M, He, Y, Xu, Y, Brunzelle, J.S, Li, J, Melcher, K, Xu, H.E.
登録日2011-11-07
公開日2012-02-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Molecular mimicry regulates ABA signaling by SnRK2 kinases and PP2C phosphatases.
Science, 335, 2012
4FMB
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BU of 4fmb by Molmil
VirA-Rab1 complex structure
分子名称: ALUMINUM FLUORIDE, Cysteine protease-like virA, GUANOSINE-5'-DIPHOSPHATE, ...
著者Shao, F, Zhu, Y.
登録日2012-06-16
公開日2012-09-05
最終更新日2012-10-03
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structurally Distinct Bacterial TBC-like GAPs Link Arf GTPase to Rab1 Inactivation to Counteract Host Defenses.
Cell(Cambridge,Mass.), 150, 2012
4V5A
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BU of 4v5a by Molmil
Structure of the Ribosome Recycling Factor bound to the Thermus thermophilus 70S ribosome with mRNA, ASL-Phe and tRNA-fMet
分子名称: 16S ribosomal RNA, 23S ribosomal RNA, 30S RIBOSOMAL PROTEIN S10, ...
著者Weixlbaumer, A, Petry, S, Dunham, C.M, Selmer, M, Kelley, A.C, Ramakrishnan, V.
登録日2007-06-28
公開日2014-07-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Crystal structure of the ribosome recycling factor bound to the ribosome.
Nat. Struct. Mol. Biol., 14, 2007
8XXW
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BU of 8xxw by Molmil
Fab M2-7 complexed with SARS-Cov2 RBD and human ACE2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, M2-7-Heavy chain, M2-7-Light chain, ...
著者Liu, C, Xie, Y.
登録日2024-01-19
公開日2024-06-19
実験手法ELECTRON MICROSCOPY (3.03 Å)
主引用文献Mosaic RBD nanoparticle elicits immunodominant antibody responses across sarbecoviruses.
Cell Rep, 43, 2024
8ZC6
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BU of 8zc6 by Molmil
SARS-CoV-2 Omicron BA.4 spike trimer (6P) in complex with D1F6 Fab, head-to-head aggregate
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of D1F6 Fab, Light chain of D1F6 Fab, ...
著者Liu, B, Gao, X, Li, Z, Chen, Q, He, J, Xiong, X.
登録日2024-04-28
公開日2024-05-29
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (6.85 Å)
主引用文献An unconventional VH1-2 antibody tolerates escape mutations and shows an antigenic hotspot on SARS-CoV-2 spike.
Cell Rep, 43, 2024
4V6E
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BU of 4v6e by Molmil
Crystal structure of the E. coli 70S ribosome in an intermediate state of ratcheting
分子名称: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
著者Zhang, W, Dunkle, J.A, Cate, J.H.D.
登録日2009-06-28
公開日2014-07-09
最終更新日2014-12-10
実験手法X-RAY DIFFRACTION (3.712 Å)
主引用文献Structures of the ribosome in intermediate States of ratcheting.
Science, 325, 2009
5VCO
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BU of 5vco by Molmil
THE CRYSTAL STRUCTURE OF DER P 1 ALLERGEN COMPLEXED WITH FAB FRAGMENT OF MAB 10B9
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, HEAVY CHAIN OF FAB FRAGMENT OF 10B9 ANTIBODY, ...
著者Osinski, T, Majorek, K.A, Pomes, A, Offermann, L.R, Osinski, S, Glesner, J, Vailes, L.D, Chapman, M.D, Minor, W, Chruszcz, M.
登録日2017-03-31
公開日2017-04-26
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.74 Å)
主引用文献Structural Analysis of Der p 1-Antibody Complexes and Comparison with Complexes of Proteins or Peptides with Monoclonal Antibodies.
J. Immunol., 195, 2015
8XB4
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BU of 8xb4 by Molmil
Structure of apo state of the human Norepinephrine Transporter
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GFP-MBP-solute carrier family 6 member 2
著者Wu, J.X, Ji, W.M.
登録日2023-12-05
公開日2024-06-26
実験手法ELECTRON MICROSCOPY (2.92 Å)
主引用文献Structural mechanism of substrate binding and inhibition of the human Norepinephrine Transporter
To Be Published
8R8X
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BU of 8r8x by Molmil
Multicopy-refined carboxymyoglobin photolysis time series at 5 mJ/cm2 laser fluence, 327 fs time delay
分子名称: CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Barends, T, Schlichting, I.
登録日2023-11-30
公開日2024-03-06
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Influence of pump laser fluence on ultrafast myoglobin structural dynamics.
Nature, 626, 2024
4V9O
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Control of ribosomal subunit rotation by elongation factor G
分子名称: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
著者Pulk, A, Cate, J.H.D.
登録日2013-05-03
公開日2014-07-09
最終更新日2014-12-17
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Control of ribosomal subunit rotation by elongation factor G.
Science, 340, 2013

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