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3B2T
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BU of 3b2t by Molmil
Structure of phosphotransferase
Descriptor: 5'-O-[(S)-hydroxy{[(S)-hydroxy(methyl)phosphoryl]oxy}phosphoryl]adenosine, Fibroblast growth factor receptor 2, PHOSPHATE ION
Authors:Lew, E.D, Bae, J.H, Rohmann, E, Wollnik, B, Schlessinger, J.
Deposit date:2007-10-19
Release date:2008-02-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis for reduced FGFR2 activity in LADD syndrome: Implications for FGFR autoinhibition and activation.
Proc.Natl.Acad.Sci.Usa, 104, 2007
5L1S
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BU of 5l1s by Molmil
X-ray Structure of F232L mutant of Cytochrome P450 PntM with pentalenolactone F
Descriptor: PROTOPORPHYRIN IX CONTAINING FE, Pentalenolactone synthase, pentalenolactone F
Authors:Duan, L, Jogl, G, Cane, D.E.
Deposit date:2016-07-29
Release date:2016-09-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:The Cytochrome P450-Catalyzed Oxidative Rearrangement in the Final Step of Pentalenolactone Biosynthesis: Substrate Structure Determines Mechanism.
J.Am.Chem.Soc., 138, 2016
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)
Descriptor: 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, ...
Authors:Bertoletti, N, Ippolito, J.A, Jorgensen, W.L, Anderson, K.S.
Deposit date:2020-11-19
Release date:2021-01-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.728 Å)
Cite: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
Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(P*GP*GP*TP*AP*GP*CP*(DDG))-3'), ...
Authors:Rechkoblit, O, Gupta, Y.K, Malik, R, Rajashankar, K.R, Johnson, R.E, Prakash, L, Prakash, S, Aggarwal, A.K.
Deposit date:2016-08-02
Release date:2016-11-23
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
Descriptor: DUF1524 domain
Authors:Haiyan, G, Jinchuan, Z, Chen, S, Wang, L, Wu, G.
Deposit date:2020-12-28
Release date:2022-06-29
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.72 Å)
Cite: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
Descriptor: 3-({(3S,4S)-4-[(6-aminopyridin-2-yl)methyl]pyrrolidin-3-yl}amino)propan-1-ol, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ...
Authors:Igarashi, J, Li, H, Poulos, T.L.
Deposit date:2007-10-22
Release date:2008-07-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.95 Å)
Cite: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
Descriptor: 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE, Capsid protein
Authors:Mietzsch, M, Agbandje-McKenna, M.
Deposit date:2020-12-23
Release date:2021-02-03
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.15 Å)
Cite: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
Descriptor: 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE, VP1
Authors:Mietzsch, M, Agbandje-McKenna, M.
Deposit date:2020-12-23
Release date:2021-02-03
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (2.67 Å)
Cite: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
Descriptor: Maternally expressed gene14
Authors:Umetsu, Y, Ohki, S.
Deposit date:2020-10-16
Release date:2021-10-20
Last modified:2023-06-14
Method:SOLUTION NMR
Cite: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
Descriptor: 1,2-ETHANEDIOL, Beta-2-microglobulin, CADMIUM ION, ...
Authors:Szeto, C, Chatzileontiadou, D.S.M, Riboldi-Tunnicliffe, A, Gras, S.
Deposit date:2020-10-18
Release date:2021-01-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.34 Å)
Cite: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
Descriptor: CHLORIDE ION, GUANOSINE-5'-MONOPHOSPHATE, MAGNESIUM ION, ...
Authors:Macedo-Ribeiro, S, Pereira, P.J.B, Empadinhas, N, da Costa, M.S.
Deposit date:2009-11-01
Release date:2010-11-03
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Functional and structural characterization of a novel mannosyl-3-phosphoglycerate synthase from Rubrobacter xylanophilus reveals its dual substrate specificity
Mol.Microbiol., 79, 2011
3B62
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BU of 3b62 by Molmil
EmrE multidrug transporter in complex with P4P, P21 crystal form
Descriptor: Multidrug transporter emrE, TETRAPHENYLPHOSPHONIUM
Authors:Chang, G, Chen, Y.J.
Deposit date:2007-10-26
Release date:2007-12-04
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (4.4 Å)
Cite:X-ray structure of EmrE supports dual topology model.
Proc.Natl.Acad.Sci.Usa, 104, 2007
7KKO
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BU of 7kko by Molmil
Structure of the catalytic domain of tankyrase 1 in complex with olaparib
Descriptor: 4-(3-{[4-(cyclopropylcarbonyl)piperazin-1-yl]carbonyl}-4-fluorobenzyl)phthalazin-1(2H)-one, Poly [ADP-ribose] polymerase, ZINC ION
Authors:Gajiwala, K.S, Ryan, K.
Deposit date:2020-10-27
Release date:2021-01-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Dissecting the molecular determinants of clinical PARP1 inhibitor selectivity for tankyrase1.
J.Biol.Chem., 296, 2021
5MXF
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BU of 5mxf by Molmil
Photorhabdus asymbiotica lectin (PHL) in complex with alpha-methyl fucoside
Descriptor: CHLORIDE ION, Photorhabdus asymbiotica lectin PHL, SODIUM ION, ...
Authors:Jancarikova, G, Houser, J, Demo, G, Wimmerova, M.
Deposit date:2017-01-23
Release date:2017-08-09
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, GLYCEROL, ...
Authors:Gabdulkhakov, A, Tishchenko, S, Lisov, A, Leontievsky, A.
Deposit date:2016-12-26
Release date:2018-01-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.35 Å)
Cite: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
Descriptor: GAMMA CRYSTALLIN B
Authors:Ebersbach, H, Fiedler, E, Scheuermann, T, Fiedler, M, Stubbs, M.T, Reimann, C, Proetzel, G, Rudolph, R, Fiedler, U.
Deposit date:2007-01-08
Release date:2007-07-24
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: ACETYLCHOLINESTERASE, HEXAETHYLENE GLYCOL, TRIETHYLENE GLYCOL
Authors:Hornberg, A, Tunemalm, A.-K, Ekstrom, F.
Deposit date:2007-02-13
Release date:2007-04-17
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite: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
Descriptor: 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
Authors:Kang, L.W, Armstrong, A.A, Muzammil, S, Jakalian, A, Bonneau, P.R, Schmelmer, V, Freire, E, Amzel, L.M.
Deposit date:2006-12-04
Release date:2006-12-12
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
Descriptor: Signal peptide of yeast dipeptidyl aminopeptidase B, Signal recognition 54 kDa protein
Authors:Janda, C.Y, Nagai, K, Li, J, Oubridge, C.
Deposit date:2009-11-06
Release date:2010-03-31
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.5 Å)
Cite: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
Descriptor: Alkane monooxygenase, FLAVIN MONONUCLEOTIDE
Authors:Li, L, Yang, W, Xu, F, Bartlam, M, Rao, Z.
Deposit date:2007-11-06
Release date:2008-01-15
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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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BU of 2ojj by Molmil
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
Descriptor: (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
Authors:Xie, X, Jacobs, M.D.
Deposit date:2007-01-12
Release date:2007-02-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Flipped Out: Structure-Guided Design of Selective Pyrazolylpyrrole ERK Inhibitors.
J.Med.Chem., 50, 2007
3B9N
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BU of 3b9n by Molmil
Crystal structure of long-chain alkane monooxygenase (LadA)
Descriptor: Alkane monooxygenase
Authors:Li, L, Yang, W, Xu, F, Bartlam, M, Rao, Z.
Deposit date:2007-11-06
Release date:2008-01-15
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of long-chain alkane monooxygenase (LadA) in complex with coenzyme FMN: unveiling the long-chain alkane hydroxylase
J.Mol.Biol., 376, 2008
7DUO
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BU of 7duo by Molmil
Crystal structure of daratumumab fab and CD38 complex
Descriptor: ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1, Fab heavy chain, Fab light chain
Authors:Yu, X.J, Wang, L, Yu, C.F.
Deposit date:2021-01-10
Release date:2021-03-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Crystal structure of daratumumab fab and CD38 complex
To Be Published
3KDN
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BU of 3kdn by Molmil
Crystal structure of Type III Rubisco SP4 mutant complexed with 2-CABP
Descriptor: 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, MAGNESIUM ION, Ribulose bisphosphate carboxylase
Authors:Nishitani, Y, Fujihashi, M, Doi, T, Yoshida, S, Atomi, H, Imanaka, T, Miki, K.
Deposit date:2009-10-23
Release date:2010-10-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Structure-based catalytic optimization of a type III Rubisco from a hyperthermophile
J.Biol.Chem., 285, 2010
2YFN
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BU of 2yfn by Molmil
galactosidase domain of alpha-galactosidase-sucrose kinase, AgaSK
Descriptor: 1,2-ETHANEDIOL, ALPHA-GALACTOSIDASE-SUCROSE KINASE AGASK, GLYCEROL, ...
Authors:Sulzenbacher, G, Bruel, L, Tison-Cervera, M, Pujol, A, Nicoletti, C, Perrier, J, Galinier, A, Ropartz, D, Fons, M, Pompeo, F, Giardina, T.
Deposit date:2011-04-07
Release date:2011-09-28
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Agask, a Bifunctional Enzyme from the Human Microbiome Coupling Galactosidase and Kinase Activities
J.Biol.Chem., 286, 2011

224004

数据于2024-08-21公开中

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