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5L1S
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BU of 5l1s by Molmil
X-ray Structure of F232L mutant of Cytochrome P450 PntM with pentalenolactone F
分子名称: PROTOPORPHYRIN IX CONTAINING FE, Pentalenolactone synthase, pentalenolactone F
著者Duan, L, Jogl, G, Cane, D.E.
登録日2016-07-29
公開日2016-09-14
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献The Cytochrome P450-Catalyzed Oxidative Rearrangement in the Final Step of Pentalenolactone Biosynthesis: Substrate Structure Determines Mechanism.
J.Am.Chem.Soc., 138, 2016
3B2T
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BU of 3b2t by Molmil
Structure of phosphotransferase
分子名称: 5'-O-[(S)-hydroxy{[(S)-hydroxy(methyl)phosphoryl]oxy}phosphoryl]adenosine, Fibroblast growth factor receptor 2, PHOSPHATE ION
著者Lew, E.D, Bae, J.H, Rohmann, E, Wollnik, B, Schlessinger, J.
登録日2007-10-19
公開日2008-02-26
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural basis for reduced FGFR2 activity in LADD syndrome: Implications for FGFR autoinhibition and activation.
Proc.Natl.Acad.Sci.Usa, 104, 2007
7KRE
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BU of 7kre by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 4-((6-cyanonaphthalen-1-yl)oxy)-3-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenyl sulfurofluoridate (JLJ704)
分子名称: 4-[(6-cyanonaphthalen-1-yl)oxy]-3-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenyl sulfurofluoridate, HIV-1 REVERSE TRANSCRIPTASE, P51 SUBUNIT, ...
著者Bertoletti, N, Ippolito, J.A, Jorgensen, W.L, Anderson, K.S.
登録日2020-11-19
公開日2021-01-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.728 Å)
主引用文献Covalent Inhibition of Wild-Type HIV-1 Reverse Transcriptase Using a Fluorosulfate Warhead.
Acs Med.Chem.Lett., 12, 2021
5L2X
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BU of 5l2x by Molmil
Crystal structure of human PrimPol ternary complex
分子名称: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(P*GP*GP*TP*AP*GP*CP*(DDG))-3'), ...
著者Rechkoblit, O, Gupta, Y.K, Malik, R, Rajashankar, K.R, Johnson, R.E, Prakash, L, Prakash, S, Aggarwal, A.K.
登録日2016-08-02
公開日2016-11-23
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure and mechanism of human PrimPol, a DNA polymerase with primase activity.
Sci Adv, 2, 2016
7DRI
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BU of 7dri by Molmil
Structure of SspE_CTD_41658
分子名称: DUF1524 domain
著者Haiyan, G, Jinchuan, Z, Chen, S, Wang, L, Wu, G.
登録日2020-12-28
公開日2022-06-29
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.72 Å)
主引用文献Nicking mechanism underlying the DNA phosphorothioate-sensing antiphage defense by SspE.
Nat Commun, 13, 2022
3B3M
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BU of 3b3m by Molmil
Structure of neuronal NOS heme domain in complex with a inhibitor (+-)-3-{cis-4'-[(6"-aminopyridin-2"-yl)methyl]pyrrolidin-3'-ylamino}propan-1-ol
分子名称: 3-({(3S,4S)-4-[(6-aminopyridin-2-yl)methyl]pyrrolidin-3-yl}amino)propan-1-ol, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ...
著者Igarashi, J, Li, H, Poulos, T.L.
登録日2007-10-22
公開日2008-07-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Minimal pharmacophoric elements and fragment hopping, an approach directed at molecular diversity and isozyme selectivity. Design of selective neuronal nitric oxide synthase inhibitors.
J.Am.Chem.Soc., 130, 2008
7L6E
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BU of 7l6e by Molmil
The genome-containing AAV11 capsid
分子名称: 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE, Capsid protein
著者Mietzsch, M, Agbandje-McKenna, M.
登録日2020-12-23
公開日2021-02-03
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.15 Å)
主引用文献Completion of the AAV Structural Atlas: Serotype Capsid Structures Reveals Clade-Specific Features.
Viruses, 13, 2021
7L6A
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BU of 7l6a by Molmil
The genome-containing AAV12 capsid
分子名称: 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE, VP1
著者Mietzsch, M, Agbandje-McKenna, M.
登録日2020-12-23
公開日2021-02-03
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (2.67 Å)
主引用文献Completion of the AAV Structural Atlas: Serotype Capsid Structures Reveals Clade-Specific Features.
Viruses, 13, 2021
7DAB
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BU of 7dab by Molmil
plant peptide hormone
分子名称: Maternally expressed gene14
著者Umetsu, Y, Ohki, S.
登録日2020-10-16
公開日2021-10-20
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献plant peptide hormone
To Be Published
7KGQ
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BU of 7kgq by Molmil
Crystal Structure of HLA-A*0201in complex with SARS-CoV-2 N222-230
分子名称: 1,2-ETHANEDIOL, Beta-2-microglobulin, CADMIUM ION, ...
著者Szeto, C, Chatzileontiadou, D.S.M, Riboldi-Tunnicliffe, A, Gras, S.
登録日2020-10-18
公開日2021-01-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献The presentation of SARS-CoV-2 peptides by the common HLA-A * 02:01 molecule.
Iscience, 24, 2021
3KIA
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BU of 3kia by Molmil
Crystal structure of mannosyl-3-phosphoglycerate synthase from Rubrobacter xylanophilus
分子名称: CHLORIDE ION, GUANOSINE-5'-MONOPHOSPHATE, MAGNESIUM ION, ...
著者Macedo-Ribeiro, S, Pereira, P.J.B, Empadinhas, N, da Costa, M.S.
登録日2009-11-01
公開日2010-11-03
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Functional and structural characterization of a novel mannosyl-3-phosphoglycerate synthase from Rubrobacter xylanophilus reveals its dual substrate specificity
Mol.Microbiol., 79, 2011
7KKO
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BU of 7kko by Molmil
Structure of the catalytic domain of tankyrase 1 in complex with olaparib
分子名称: 4-(3-{[4-(cyclopropylcarbonyl)piperazin-1-yl]carbonyl}-4-fluorobenzyl)phthalazin-1(2H)-one, Poly [ADP-ribose] polymerase, ZINC ION
著者Gajiwala, K.S, Ryan, K.
登録日2020-10-27
公開日2021-01-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Dissecting the molecular determinants of clinical PARP1 inhibitor selectivity for tankyrase1.
J.Biol.Chem., 296, 2021
3B62
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BU of 3b62 by Molmil
EmrE multidrug transporter in complex with P4P, P21 crystal form
分子名称: Multidrug transporter emrE, TETRAPHENYLPHOSPHONIUM
著者Chang, G, Chen, Y.J.
登録日2007-10-26
公開日2007-12-04
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (4.4 Å)
主引用文献X-ray structure of EmrE supports dual topology model.
Proc.Natl.Acad.Sci.Usa, 104, 2007
5MXF
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BU of 5mxf by Molmil
Photorhabdus asymbiotica lectin (PHL) in complex with alpha-methyl fucoside
分子名称: CHLORIDE ION, Photorhabdus asymbiotica lectin PHL, SODIUM ION, ...
著者Jancarikova, G, Houser, J, Demo, G, Wimmerova, M.
登録日2017-01-23
公開日2017-08-09
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Characterization of novel bangle lectin from Photorhabdus asymbiotica with dual sugar-binding specificity and its effect on host immunity.
PLoS Pathog., 13, 2017
5MRR
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BU of 5mrr by Molmil
Crystal structure of L1 protease of Lysobacter sp. XL1
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, GLYCEROL, ...
著者Gabdulkhakov, A, Tishchenko, S, Lisov, A, Leontievsky, A.
登録日2016-12-26
公開日2018-01-17
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Crystal structure of L1 protease of Lysobacter sp. XL1
To Be Published
2JDG
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BU of 2jdg by Molmil
Affilin based on HUMAN GAMMA-B CRYSTALLIN
分子名称: GAMMA CRYSTALLIN B
著者Ebersbach, H, Fiedler, E, Scheuermann, T, Fiedler, M, Stubbs, M.T, Reimann, C, Proetzel, G, Rudolph, R, Fiedler, U.
登録日2007-01-08
公開日2007-07-24
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Affilin-Novel Binding Molecules Based on Human Gamma-B-Crystallin, an All Beta-Sheet Protein.
J.Mol.Biol., 372, 2007
2JGE
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BU of 2jge by Molmil
Crystal structure of mouse acetylcholinesterase inhibited by non-aged methamidophos
分子名称: ACETYLCHOLINESTERASE, HEXAETHYLENE GLYCOL, TRIETHYLENE GLYCOL
著者Hornberg, A, Tunemalm, A.-K, Ekstrom, F.
登録日2007-02-13
公開日2007-04-17
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal Structures of Acetylcholinesterase in Complex with Organophosphorus Compounds Suggest that the Acyl Pocket Modulates the Aging Reaction by Precluding the Formation of the Trigonal Bipyramidal Transition State.
Biochemistry, 46, 2007
2O4P
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BU of 2o4p by Molmil
Crystal Structure of HIV-1 Protease (Q7K) in Complex with Tipranavir
分子名称: GLYCEROL, N-(3-{(1R)-1-[(6R)-4-HYDROXY-2-OXO-6-PHENETHYL-6-PROPYL-5,6-DIHYDRO-2H-PYRAN-3-YL]PROPYL}PHENYL)-5-(TRIFLUOROMETHYL)-2-PYRIDINESULFONAMIDE, protease
著者Kang, L.W, Armstrong, A.A, Muzammil, S, Jakalian, A, Bonneau, P.R, Schmelmer, V, Freire, E, Amzel, L.M.
登録日2006-12-04
公開日2006-12-12
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Unique thermodynamic response of tipranavir to human immunodeficiency virus type 1 protease drug resistance mutations.
J.Virol., 81, 2007
3KL4
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BU of 3kl4 by Molmil
Recognition of a signal peptide by the signal recognition particle
分子名称: Signal peptide of yeast dipeptidyl aminopeptidase B, Signal recognition 54 kDa protein
著者Janda, C.Y, Nagai, K, Li, J, Oubridge, C.
登録日2009-11-06
公開日2010-03-31
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Recognition of a signal peptide by the signal recognition particle.
Nature, 465, 2010
3B9O
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BU of 3b9o by Molmil
long-chain alkane monooxygenase (LadA) in complex with coenzyme FMN
分子名称: Alkane monooxygenase, FLAVIN MONONUCLEOTIDE
著者Li, L, Yang, W, Xu, F, Bartlam, M, Rao, Z.
登録日2007-11-06
公開日2008-01-15
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of long-chain alkane monooxygenase (LadA) in complex with coenzyme FMN: unveiling the long-chain alkane hydroxylase
J.Mol.Biol., 376, 2008
2OJJ
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Crystal structure of ERK2 in complex with (S)-N-(1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl)-4-(4-(3-chlorophenyl)-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide
分子名称: (S)-N-(1-(3-CHLORO-4-FLUOROPHENYL)-2-HYDROXYETHYL)-4-(4-(3-CHLOROPHENYL)-1H-PYRAZOL-3-YL)-1H-PYRROLE-2-CARBOXAMIDE, Mitogen-activated protein kinase 1, SULFATE ION
著者Xie, X, Jacobs, M.D.
登録日2007-01-12
公開日2007-02-06
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Flipped Out: Structure-Guided Design of Selective Pyrazolylpyrrole ERK Inhibitors.
J.Med.Chem., 50, 2007
7DUO
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BU of 7duo by Molmil
Crystal structure of daratumumab fab and CD38 complex
分子名称: ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1, Fab heavy chain, Fab light chain
著者Yu, X.J, Wang, L, Yu, C.F.
登録日2021-01-10
公開日2021-03-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Crystal structure of daratumumab fab and CD38 complex
To Be Published
3KDN
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Crystal structure of Type III Rubisco SP4 mutant complexed with 2-CABP
分子名称: 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, MAGNESIUM ION, Ribulose bisphosphate carboxylase
著者Nishitani, Y, Fujihashi, M, Doi, T, Yoshida, S, Atomi, H, Imanaka, T, Miki, K.
登録日2009-10-23
公開日2010-10-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Structure-based catalytic optimization of a type III Rubisco from a hyperthermophile
J.Biol.Chem., 285, 2010
3B9N
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Crystal structure of long-chain alkane monooxygenase (LadA)
分子名称: Alkane monooxygenase
著者Li, L, Yang, W, Xu, F, Bartlam, M, Rao, Z.
登録日2007-11-06
公開日2008-01-15
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure of long-chain alkane monooxygenase (LadA) in complex with coenzyme FMN: unveiling the long-chain alkane hydroxylase
J.Mol.Biol., 376, 2008
2O61
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Crystal Structure of NFkB, IRF7, IRF3 bound to the interferon-b enhancer
分子名称: 34-MER, 36-MER, Nuclear factor NF-kappa-B p105 subunit, ...
著者Panne, D.
登録日2006-12-06
公開日2007-07-24
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献An Atomic Model of the Interferon-beta Enhanceosome.
Cell(Cambridge,Mass.), 129, 2007

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