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3SAB
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BU of 3sab by Molmil
Crystal structure of wild-type HIV-1 protease in complex with AF78
分子名称: 3-hydroxy-N-[(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](3-phenylpropyl)amino}-1-phenylbutan-2-yl]benzamide, PHOSPHATE ION, Protease
著者Schiffer, C.A, Nalam, M.N.L.
登録日2011-06-02
公開日2012-06-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Protease Inhibitors that protrude out from substrate envelope are more susceptible to developing drug resistance
To be Published
3SHL
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BU of 3shl by Molmil
Crystal structure of Staphylococcal nuclease variant Delta+PHS V74KL25A at cryogenic temperature
分子名称: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease
著者Caro, J.A, Sue, G, Schlessman, J.L, Heroux, A, Garcia-Moreno E, B.
登録日2011-06-16
公開日2011-06-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Redirection of internal ionizable residues by engineered cavities
To be Published
3SMM
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BU of 3smm by Molmil
Crystal structure of human 14-3-3 sigma C38N/N166H in complex with task-3 peptide and stabilizer Fusicoccin J aglycone
分子名称: 14-3-3 protein sigma, CHLORIDE ION, Fusicoccin J aglycone, ...
著者Anders, C, Schumacher, B, Ottmann, C.
登録日2011-06-28
公開日2012-07-11
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A semisynthetic fusicoccane stabilizes a protein-protein interaction and enhances the expression of K+ channels at the cell surface.
Chem. Biol., 20, 2013
3SN4
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BU of 3sn4 by Molmil
Crystal structure of putative L-alanine-DL-glutamate epimerase from Burkholderia xenovorans strain LB400 bound to magnesium and alpha-ketoglutarate
分子名称: 2-OXOGLUTARIC ACID, CHLORIDE ION, MAGNESIUM ION, ...
著者Bonanno, J.B, Patskovsky, Y, Toro, R, Dickey, M, Bain, K.T, Wu, B, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2011-06-28
公開日2011-07-27
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Crystal structure of putative L-alanine-DL-glutamate epimerase from Burkholderia xenovorans strain LB400 bound to magnesium and alpha-ketoglutarate
To be Published
3SL5
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BU of 3sl5 by Molmil
Crystal structure of the catalytic domain of PDE4D2 complexed with compound 10d
分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DIMETHYL SULFOXIDE, ...
著者Feil, S.F.
登録日2011-06-24
公開日2011-10-26
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Thiophene inhibitors of PDE4: Crystal structures show a second binding mode at the catalytic domain of PDE4D2.
Bioorg.Med.Chem.Lett., 21, 2011
3SEI
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BU of 3sei by Molmil
Crystal Structure of Caskin1 Tandem SAMs
分子名称: CHLORIDE ION, Caskin-1, SULFATE ION
著者Stafford, R.L, Bowie, J.U.
登録日2011-06-10
公開日2011-12-14
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Tandem SAM domain structure of human Caskin1: a presynaptic, self-assembling scaffold for CASK.
Structure, 19, 2011
3S9L
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BU of 3s9l by Molmil
Complex between transferrin receptor 1 and transferrin with iron in the N-Lobe, cryocooled 2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CARBONATE ION, ...
著者Eckenroth, B.E, Steere, A.N, Mason, A.B, Everse, S.J.
登録日2011-06-01
公開日2011-08-10
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.22 Å)
主引用文献How the binding of human transferrin primes the transferrin receptor potentiating iron release at endosomal pH.
Proc.Natl.Acad.Sci.USA, 108, 2011
3SGY
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BU of 3sgy by Molmil
Staphylococcus aureus Dihydrofolate Reductase complexed with NADPH and 6-ETHYL-5-[(3S)-3-[3-METHOXY-5-(PYRIDIN-4-YL)PHENYL]BUT-1-YN-1-YL]PYRIMIDINE-2,4-DIAMINE (UCP1006)
分子名称: 6-ethyl-5-{(3S)-3-[3-methoxy-5-(pyridin-4-yl)phenyl]but-1-yn-1-yl}pyrimidine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Frey, K.M, Anderson, A.C.
登録日2011-06-15
公開日2012-03-07
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.598 Å)
主引用文献Toward New Therapeutics for Skin and Soft Tissue Infections: Propargyl-Linked Antifolates Are Potent Inhibitors of MRSA and Streptococcus pyogenes.
Plos One, 7, 2012
3VKR
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BU of 3vkr by Molmil
Assimilatory nitrite reductase (Nii3) - NO2 complex from tobbaco leaf analysed with high X-ray dose
分子名称: CHLORIDE ION, IRON/SULFUR CLUSTER, NITRITE ION, ...
著者Nakano, S, Takahashi, M, Sakamoto, A, Morikawa, H, Katayanagi, K.
登録日2011-11-20
公開日2012-04-25
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The reductive reaction mechanism of tobacco nitrite reductase derived from a combination of crystal structures and ultraviolet-visible microspectroscopy
Proteins, 80, 2012
3V81
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BU of 3v81 by Molmil
Crystal structure of HIV-1 reverse transcriptase (RT) with DNA and the nonnucleoside inhibitor nevirapine
分子名称: 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, DNA (5'-D(*A*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*(ATM))-3'), DNA (5'-D(*AP*TP*GP*GP*AP*AP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*GP*TP*G)-3'), ...
著者Das, K, Martinez, S.E, Arnold, E.
登録日2011-12-22
公開日2012-01-18
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.8503 Å)
主引用文献HIV-1 reverse transcriptase complex with DNA and nevirapine reveals non-nucleoside inhibition mechanism.
Nat.Struct.Mol.Biol., 19, 2012
3VLZ
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BU of 3vlz by Molmil
Assimilatory nitrite reductase (Nii3) - N226K mutant - SO3 full complex from tobacco leaf
分子名称: CHLORIDE ION, IRON/SULFUR CLUSTER, Nitrite reductase, ...
著者Nakano, S, Takahashi, M, Sakamoto, A, Morikawa, H, Katayanagi, K.
登録日2011-12-05
公開日2012-09-26
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献X-ray crystal structure of a mutant assimilatory nitrite reductase that shows sulfite reductase-like activity
Chem.Biodivers., 9, 2012
3V9G
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BU of 3v9g by Molmil
Crystal structure of human 1-pyrroline-5-carboxylate dehydrogenase
分子名称: Delta-1-pyrroline-5-carboxylate dehydrogenase, mitochondrial
著者Tanner, J.J, Srivastava, D.
登録日2011-12-27
公開日2012-05-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The Three-Dimensional Structural Basis of Type II Hyperprolinemia.
J.Mol.Biol., 420, 2012
3VAX
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BU of 3vax by Molmil
Crystal structure of DndA from streptomyces lividans
分子名称: PYRIDOXAL-5'-PHOSPHATE, Putative uncharacterized protein dndA
著者Zhang, Z, Chen, F, Lin, K, Wu, G.
登録日2011-12-30
公開日2013-01-02
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of the cysteine desulfurase DndA from Streptomyces lividans which is involved in DNA phosphorothioation
Plos One, 7, 2012
3VER
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BU of 3ver by Molmil
Crystal structure of the O-carbamoyltransferase TobZ in complex with carbamoyl adenylate intermediate
分子名称: 5'-O-[(S)-(carbamoyloxy)(hydroxy)phosphoryl]adenosine, FE (II) ION, O-carbamoyltransferase TobZ, ...
著者Parthier, C, Stubbs, M.T, Goerlich, S, Jaenecke, F.
登録日2012-01-09
公開日2012-01-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献The O-Carbamoyltransferase TobZ Catalyzes an Ancient Enzymatic Reaction.
Angew.Chem.Int.Ed.Engl., 51, 2012
3VF8
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BU of 3vf8 by Molmil
Crystal Structure of Spleen Tyrosine Kinase Syk Catalytic Domain with Pyrazolylbenzimidazole Inhibitor 416
分子名称: 3-[5-(5-ethoxy-6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1,1-diethylurea, Tyrosine-protein kinase SYK
著者McLean, L.R, Zhang, Y.
登録日2012-01-09
公開日2012-05-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献X-ray crystallographic structure-based design of selective thienopyrazole inhibitors for interleukin-2-inducible tyrosine kinase.
Bioorg.Med.Chem.Lett., 22, 2012
3VGK
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BU of 3vgk by Molmil
Crystal structure of a ROK family glucokinase from Streptomyces griseus
分子名称: Glucokinase, SULFATE ION, ZINC ION
著者Miyazono, K, Tabei, N, Morita, S, Ohnishi, Y, Horinouchi, S, Tanokura, M.
登録日2011-08-15
公開日2011-12-07
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.25 Å)
主引用文献Substrate recognition mechanism and substrate-dependent conformational changes of an ROK family glucokinase from Streptomyces griseus
J.Bacteriol., 194, 2012
3VKQ
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BU of 3vkq by Molmil
Assimilatory nitrite reductase (Nii3) - NO2 complex from tobbaco leaf analysed with middle X-ray dose
分子名称: CHLORIDE ION, IRON/SULFUR CLUSTER, NITRITE ION, ...
著者Nakano, S, Takahashi, M, Sakamoto, A, Morikawa, H, Katayanagi, K.
登録日2011-11-20
公開日2012-04-25
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The reductive reaction mechanism of tobacco nitrite reductase derived from a combination of crystal structures and ultraviolet-visible microspectroscopy
Proteins, 80, 2012
3VL6
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BU of 3vl6 by Molmil
3-isopropylmalate dehydrogenase from Shewanella oneidensis MR-1 at 580 MPa
分子名称: 3-ISOPROPYLMALIC ACID, 3-isopropylmalate dehydrogenase, CALCIUM ION, ...
著者Nagae, T, Watanabe, N.
登録日2011-11-29
公開日2012-02-29
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献High-pressure-induced water penetration into 3-isopropylmalate dehydrogenase
Acta Crystallogr.,Sect.D, 68, 2012
3VNP
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BU of 3vnp by Molmil
Crystal structure of hypothetical protein (GK2848) from Geobacillus Kaustophilus
分子名称: ACETIC ACID, Hypothetical conserved protein, MAGNESIUM ION
著者Karthe, P.P, Kumarevel, T.S, Kuramitsu, S, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2012-01-17
公開日2012-03-07
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of hypothetical protein (GK2848) from Geobacillus Kaustophilus
To be Published
3VOP
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BU of 3vop by Molmil
Structure of Vaccinia virus A27
分子名称: DI(HYDROXYETHYL)ETHER, Protein A27
著者Chang, T.H, Ko, T.P, Hsieh, F.L, Wang, A.H.J.
登録日2012-01-31
公開日2013-03-06
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of vaccinia viral A27 protein reveals a novel structure critical for its function and complex formation with A26 protein.
Plos Pathog., 9, 2013
3VPM
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BU of 3vpm by Molmil
Crystal structure of human ribonucleotide reductase subunit M2 (hRRM2) mutant
分子名称: FE (III) ION, MAGNESIUM ION, Ribonucleoside-diphosphate reductase subunit M2
著者Chen, X, Xu, Z, Liu, H, Zhang, L, Chen, B, Zhu, L, Yang, C, Zhu, W, Shao, J.
登録日2012-03-05
公開日2013-03-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Essential role of E106 in the proton-coupled electron transfer in human ribonucleotide reductase M2 subunit
To be Published
3V9R
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BU of 3v9r by Molmil
Crystal structure of Saccharomyces cerevisiae MHF complex
分子名称: SULFATE ION, Uncharacterized protein YDL160C-A, Uncharacterized protein YOL086W-A
著者Yang, H, Zhang, T, Zhong, C, Li, H, Zhou, J, Ding, J.
登録日2011-12-28
公開日2012-02-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Saccharomyces Cerevisiae MHF Complex Structurally Resembles the Histones (H3-H4)(2) Heterotetramer and Functions as a Heterotetramer
Structure, 20, 2012
3VQU
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CRYSTAL STRUCTURE OF HUMAN MPS1 CATALYTIC DOMAIN IN COMPLEX WITH 4-[(4-amino-5-cyano-6-ethoxypyridin-2- yl)amino]benzamide
分子名称: 4-[(4-amino-5-cyano-6-ethoxypyridin-2-yl)amino]benzamide, Dual specificity protein kinase TTK, IODIDE ION
著者Kusakabe, K, Ide, N, Daigo, Y, Itoh, T, Higashino, K, Okano, Y, Tadano, G, Tachibana, Y, Sato, Y, Inoue, M, Wada, T, Iguchi, M, Kanazawa, T, Ishioka, Y, Dohi, K, Tagashira, S, Kido, Y, Sakamoto, S, Yasuo, K, Maeda, M, Yamamoto, T, Higaki, M, Endoh, T, Ueda, K, Shiota, T, Murai, H, Nakamura, Y.
登録日2012-03-30
公開日2012-06-27
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Diaminopyridine-based potent and selective mps1 kinase inhibitors binding to an unusual flipped-Peptide conformation.
Acs Med.Chem.Lett., 3, 2012
3VAK
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BU of 3vak by Molmil
Structure of U2AF65 variant with BrU5 DNA
分子名称: 1,4-DIETHYLENE DIOXIDE, DNA (5'-D(*UP*UP*UP*UP*(BRU)P*UP*U)-3'), GLYCEROL, ...
著者Jenkins, J.L, Kielkopf, C.L.
登録日2011-12-29
公開日2013-02-13
最終更新日2017-08-16
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献U2AF65 adapts to diverse pre-mRNA splice sites through conformational selection of specific and promiscuous RNA recognition motifs.
Nucleic Acids Res., 41, 2013
3VB1
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BU of 3vb1 by Molmil
Crystal Structure of Anopholes gambiae odorant binding protein 20 in open state
分子名称: ACETIC ACID, AGAP005208-PA
著者Ziemba, B.P, Jones, D.N.
登録日2011-12-30
公開日2012-10-17
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A novel mechanism of ligand binding and release in the odorant binding protein 20 from the malaria mosquito Anopheles gambiae.
Protein Sci., 22, 2013

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