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4NJA
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BU of 4nja by Molmil
Crystal structure of Fab 6C8 in complex with MPTS
分子名称: 6C8 heavy chain, 6C8 light chain, 8-methoxypyrene-1,3,6-trisulfonic acid, ...
著者Stanfield, R.L, Romesberg, F.E, Zimmermann, J, Wilson, I.A.
登録日2013-11-08
公開日2014-11-12
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.204 Å)
主引用文献Adaptive Mutations Alter Antibody Structure and Dynamics during Affinity Maturation.
Biochemistry, 54, 2015
3S2R
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BU of 3s2r by Molmil
ATChloroNEET (H87C mutant)
分子名称: AT5g51720/MIO24_14, FE2/S2 (INORGANIC) CLUSTER
著者livnah, O, Eisenberg-Domovich, Y, nechushtai, R.
登録日2011-05-17
公開日2012-05-23
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.14 Å)
主引用文献Arabidopsis thaliana ChloroNEET, a Member of the New NEET Family of Human Proteins, is Involved in Development, Senescence and Iron Metabolism.
To be Published
4NXM
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Crystal Structure of the 30S ribosomal subunit from a GidB (RsmG) mutant of Thermus thermophilus (HB8)
分子名称: 16S rRNA, MAGNESIUM ION, ZINC ION, ...
著者Demirci, H, Murphy IV, F, Murphy, E, Gregory, S.T, Dahlberg, A.E, Jogl, G.
登録日2013-12-09
公開日2014-05-21
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (3.65 Å)
主引用文献A structural basis for streptomycin resistance
To be Published
4NFK
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BU of 4nfk by Molmil
Crystal structure of human FPPS in complex with nickel, JDS05120, and sulfate
分子名称: Farnesyl pyrophosphate synthase, NICKEL (II) ION, SULFATE ION, ...
著者Park, J, De schutter, J.W, Tsantrizos, Y.S, Berghuis, A.M.
登録日2013-10-31
公開日2014-12-31
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystallographic and thermodynamic characterization of phenylaminopyridine bisphosphonates binding to human farnesyl pyrophosphate synthase.
PLoS ONE, 12, 2017
4LY9
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Human GKRP complexed to AMG-1694 [(2R)-1,1,1-trifluoro-2-{4-[(2S)-2-{[(3S)-3-methylmorpholin-4-yl]methyl}-4-(thiophen-2-ylsulfonyl)piperazin-1-yl]phenyl}propan-2-ol] and sorbitol-6-phosphate
分子名称: (2R)-1,1,1-trifluoro-2-{4-[(2S)-2-{[(3S)-3-methylmorpholin-4-yl]methyl}-4-(thiophen-2-ylsulfonyl)piperazin-1-yl]phenyl}propan-2-ol, D-SORBITOL-6-PHOSPHATE, GLYCEROL, ...
著者Jordan, S.R.
登録日2013-07-30
公開日2013-11-20
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Antidiabetic effects of glucokinase regulatory protein small-molecule disruptors.
Nature, 504, 2013
4LZ0
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BU of 4lz0 by Molmil
A236G Epi-isozizaene synthase: Complex with Mg, inorganic pyrophosphate and benzyl triethyl ammonium cation
分子名称: Epi-isozizaene synthase, MAGNESIUM ION, N-benzyl-N,N-diethylethanaminium, ...
著者Li, R, Chou, W, Himmelberger, J.A, Litwin, K, Harris, G, Cane, D.E, Christianson, D.W.
登録日2013-07-31
公開日2013-12-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.754 Å)
主引用文献Reprogramming the Chemodiversity of Terpenoid Cyclization by Remolding the Active Site Contour of epi-Isozizaene Synthase.
Biochemistry, 53, 2014
4MEZ
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BU of 4mez by Molmil
Crystal structure of M68L/M69T double mutant TEM-1
分子名称: Beta-lactamase TEM, CHLORIDE ION, GLYCEROL, ...
著者Park, J, Gobeil, S, Pelletier, J.N, Berghuis, A.M.
登録日2013-08-27
公開日2014-10-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.047 Å)
主引用文献The Structural Dynamics of Engineered beta-Lactamases Vary Broadly on Three Timescales yet Sustain Native Function.
Sci Rep, 9, 2019
4LZC
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W325F Epi-isozizaene synthase: Complex with Mg, inorganic pyrophosphate
分子名称: Epi-isozizaene synthase, MAGNESIUM ION, PYROPHOSPHATE 2-, ...
著者Li, R, Chou, W, Himmelberger, J.A, Litwin, K, Harris, G, Cane, D.E, Christianson, D.W.
登録日2013-07-31
公開日2013-12-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.457 Å)
主引用文献Reprogramming the Chemodiversity of Terpenoid Cyclization by Remolding the Active Site Contour of epi-Isozizaene Synthase.
Biochemistry, 53, 2014
3S2Q
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BU of 3s2q by Molmil
The crystal structure of AT5g51720 (AT-NEET)
分子名称: AT5g51720/MIO24_14, FE2/S2 (INORGANIC) CLUSTER, ZINC ION
著者Livnah, O, Eisenberg-Domovich, Y, Nechushtai, R.
登録日2011-05-17
公開日2012-05-23
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Arabidopsis thaliana ChloroNEET, a Member of the New NEET Family of Human Proteins, is Involved in Development, Senescence and Iron Metabolism.
To be Published
4M3R
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BU of 4m3r by Molmil
RB69 DNA polymerase ternary complex with dT/dG at position n-1 of primer/template duplex
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA polymerase, ...
著者Xia, S, Konigsberg, W.H.
登録日2013-08-06
公開日2014-02-12
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Mispairs with Watson-Crick base-pair geometry observed in ternary complexes of an RB69 DNA polymerase variant.
Protein Sci., 23, 2014
4M17
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BU of 4m17 by Molmil
Crystal Structure of Surfactant Protein-D D325A/R343V mutant
分子名称: CALCIUM ION, Pulmonary surfactant-associated protein D
著者Goh, B.C, Rynkiewicz, M.J, Cafarella, T.R, White, M.R, Hartshorn, K.L, Allen, K, Crouch, E.C, Calin, O, Seeberger, P.H, Schulten, K, Seaton, B.A.
登録日2013-08-02
公開日2013-12-04
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.096 Å)
主引用文献Molecular mechanisms of inhibition of influenza by surfactant protein d revealed by large-scale molecular dynamics simulation.
Biochemistry, 52, 2013
4M45
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BU of 4m45 by Molmil
RB69 DNA polymerase ternary complex with dG/dT at position n-5 of primer/template duplex
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA polymerase, ...
著者Xia, S, Konigsberg, W.H.
登録日2013-08-06
公開日2014-02-12
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Mispairs with Watson-Crick base-pair geometry observed in ternary complexes of an RB69 DNA polymerase variant.
Protein Sci., 23, 2014
4M3U
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BU of 4m3u by Molmil
RB69 DNA polymerase ternary complex with dT/dG at position n-3 of primer/template duplex
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA polymerase, ...
著者Xia, S, Konigsberg, W.H.
登録日2013-08-06
公開日2014-02-12
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Mispairs with Watson-Crick base-pair geometry observed in ternary complexes of an RB69 DNA polymerase variant.
Protein Sci., 23, 2014
4MEB
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BU of 4meb by Molmil
Crystal structure of aCif-D158S
分子名称: GLYCEROL, PHOSPHATE ION, Predicted protein
著者Bridges, A.A, Bahl, C.D, Madden, D.R.
登録日2013-08-25
公開日2014-02-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Signature motifs identify an acinetobacter cif virulence factor with epoxide hydrolase activity.
J.Biol.Chem., 289, 2014
4LRG
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BU of 4lrg by Molmil
Structure of BRD4 bromodomain 1 with a dimethyl thiophene isoxazole azepine carboxamide
分子名称: 2-[(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-[1,2]oxazolo[5,4-c]thieno[2,3-e]azepin-6-yl]acetamide, Bromodomain-containing protein 4
著者Ravichandran, S, Jayaram, H, Poy, F, Gehling, V, Hewitt, M, Vaswani, R, Leblanc, Y, Cote, A, Nasveschuk, C, Taylor, A, Harmange, J.-C, Audia, J, Pardo, E, Joshi, S, Sandy, P, Mertz, J, Sims, R, Bergeron, L, Bryant, B, Yellapuntala, S, Nandana, B.S, Birudukota, S, Albrecht, B, Bellon, S.
登録日2013-07-19
公開日2013-08-07
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Discovery, Design, and Optimization of Isoxazole Azepine BET Inhibitors.
ACS Med Chem Lett, 4, 2013
5NSF
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BU of 5nsf by Molmil
Structure of AzuAla
分子名称: (2~{S})-2-azanyl-3-(2,6-dihydroazulen-1-yl)propanoic acid, CALCIUM ION, GLYCEROL, ...
著者Martins, B.M.
登録日2017-04-26
公開日2019-01-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.426 Å)
主引用文献Site-Resolved Observation of Vibrational Energy Transfer Using a Genetically Encoded Ultrafast Heater.
Angew. Chem. Int. Ed. Engl., 58, 2019
5UI6
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BU of 5ui6 by Molmil
Solution NMR Structure of Lasso Peptide Acinetodin
分子名称: Acinetodin
著者Bushin, L.B, Metelev, M, Severinov, K, Seyedsayamdost, M.R.
登録日2017-01-12
公開日2017-02-08
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Acinetodin and Klebsidin, RNA Polymerase Targeting Lasso Peptides Produced by Human Isolates of Acinetobacter gyllenbergii and Klebsiella pneumoniae.
ACS Chem. Biol., 12, 2017
4OJ6
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BU of 4oj6 by Molmil
Crystal Structure of a Putative Tailspike Protein (TSP1, orf210) from Escherichia coli O157:H7 Bacteriohage CBA120; Se-Met Protein
分子名称: Tailspike protein, ZINC ION
著者Chen, C, Herzberg, O.
登録日2014-01-20
公開日2014-03-26
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of ORF210 from E. coli O157:H1 phage CBA120 (TSP1), a putative tailspike protein.
Plos One, 9, 2014
4OON
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BU of 4oon by Molmil
Crystal structure of PBP1a in complex with compound 17 ((4Z,8S,11E,14S)-5-(2-amino-1,3-thiazol-4-yl)-14-(5,6-dihydroxy-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-8-formyl-2-methyl-6-oxo-3,10-dioxa-4,7,11-triazatetradeca-4,11-diene-2,12,14-tricarboxylic acid)
分子名称: (4Z,8S,11E,14S)-5-(2-amino-1,3-thiazol-4-yl)-14-(5,6-dihydroxy-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-8-formyl-2-methyl-6-oxo-3,10-dioxa-4,7,11-triazatetradeca-4,11-diene-2,12,14-tricarboxylic acid, Penicillin-binding protein 1A
著者Han, S, Caspers, N, Knafels, J.D.
登録日2014-02-03
公開日2014-05-07
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Siderophore receptor-mediated uptake of lactivicin analogues in gram-negative bacteria.
J.Med.Chem., 57, 2014
4ODC
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BU of 4odc by Molmil
Crystal structure of Trematomus bernacchii hemoglobin in a partially cyanided state
分子名称: CYANIDE ION, GLYCEROL, Hemoglobin subunit alpha, ...
著者Mazzarella, L, Merlino, A, Vitagliano, L, Vergara, A.
登録日2014-01-10
公開日2014-12-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Structural modifications induced by the switch from an endogenous bis-histidyl to an exogenous cyanomet hexa-coordination in a tetrameric haemoglobin
RSC ADV, 4, 2014
4OOL
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BU of 4ool by Molmil
Crystal structure of PBP3 in complex with compound 14 ((2E)-2-({[(2S)-2-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(1,5-dihydroxy-4-oxo-1,4-dihydropyridin-2-yl)methoxy]imino}acetyl]amino}-3-oxopropyl]oxy}imino)pentanedioic acid)
分子名称: (2E)-2-({[(2S)-2-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(1,5-dihydroxy-4-oxo-1,4-dihydropyridin-2-yl)methoxy]imino}acetyl]amino}-3-oxopropyl]oxy}imino)pentanedioic acid, Cell division protein FtsI [Peptidoglycan synthetase]
著者Han, S, Caspers, N, Knafels, J.D.
登録日2014-02-03
公開日2014-05-07
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Siderophore receptor-mediated uptake of lactivicin analogues in gram-negative bacteria.
J.Med.Chem., 57, 2014
4OJ5
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Crystal Structure of a Putative Tailspike Protein (TSP1, orf210) from Escherichia coli O157:H7 Bacteriohage CBA120
分子名称: Tailspike protein, ZINC ION
著者Chen, C, Herzberg, O.
登録日2014-01-20
公開日2014-03-26
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of ORF210 from E. coli O157:H1 phage CBA120 (TSP1), a putative tailspike protein.
Plos One, 9, 2014
4MSX
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Crystal structure of an essential yeast splicing factor
分子名称: ACETATE ION, Pre-mRNA-splicing factor SAD1, ZINC ION
著者Hadjivassiliou, H, Guthrie, C, Rosenberg, O.S.
登録日2013-09-18
公開日2014-04-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献The crystal structure of S. cerevisiae Sad1, a catalytically inactive deubiquitinase that is broadly required for pre-mRNA splicing.
Rna, 20, 2014
4N3B
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BU of 4n3b by Molmil
Crystal Structure of human O-GlcNAc Transferase bound to a peptide from HCF-1 pro-repeat2(1-26)E10Q and UDP-5SGlcNAc
分子名称: (2S,3R,4R,5S,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-thiopyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate, Host cell factor 1, UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit
著者Lazarus, M.B, Herr, W, Walker, S.
登録日2013-10-06
公開日2014-01-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献HCF-1 is cleaved in the active site of O-GlcNAc transferase.
Science, 342, 2013
3QOR
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BU of 3qor by Molmil
Crystal structure of human nuclear migration protein NudC
分子名称: ACETATE ION, Nuclear migration protein nudC
著者Derewenda, U, Derewenda, Z, Zheng, M.
登録日2011-02-10
公開日2011-04-27
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.753 Å)
主引用文献Structural Features and Chaperone Activity of the NudC Protein Family.
J.Mol.Biol., 409, 2011

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