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5A7W
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BU of 5a7w by Molmil
Crystal structure of human JMJD2A in complex with compound 35
Descriptor: 1,2-ETHANEDIOL, 2-[5-[(4-hydroxyphenyl)carbonylamino]-2-oxidanyl-phenyl]pyridine-4-carboxylic acid, DIMETHYL SULFOXIDE, ...
Authors:Nowak, R, Velupillai, S, Krojer, T, Gileadi, C, Johansson, C, Korczynska, M, Le, D.D, Younger, N, Gregori-Puigjane, E, Tumber, A, Iwasa, E, Pollock, S.B, Ortiz Torres, I, Kopec, J, Tallant, C, Froese, S, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Shoichet, B.K, Fujimori, D.G, Oppermann, U.
Deposit date:2015-07-10
Release date:2016-01-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Docking and Linking of Fragments to Discover Jumonji Histone Demethylase Inhibitors.
J.Med.Chem., 59, 2016
2Z2T
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BU of 2z2t by Molmil
Crystal structure of the complex between gp41 fragment N36 and fusion inhibitor SC34EK
Descriptor: ACETIC ACID, Fusion inhibitor peptide SC34EK, SULFATE ION, ...
Authors:Nakamura, S, Ohkubo, T, Kobayashi, Y.
Deposit date:2007-05-28
Release date:2008-06-03
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Intrahelical Salt-bridges in a-Helical Peptide Enhances its Binding to the Target: A New Design for HIV-1 Fusion Inhibitors
To be Published
7OCK
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BU of 7ock by Molmil
MAT in complex with SAMH
Descriptor: S-adenosylmethionine synthase, SAM hydrolase
Authors:Simon, H, Kleiner, D, Shmulevich, F, Zarivach, R, Zalk, R, Tang, H, Ding, F, Bershtein, S.
Deposit date:2021-04-27
Release date:2021-07-21
Last modified:2021-10-13
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:SAMase of Bacteriophage T3 Inactivates Escherichia coli's Methionine S -Adenosyltransferase by Forming Heteropolymers.
Mbio, 12, 2021
4OE1
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BU of 4oe1 by Molmil
Crystal structure of the pentatricopeptide repeat protein PPR10 (C256S/C430S/C449S) in complex with an 18-nt PSAJ rna element
Descriptor: Chloroplast pentatricopeptide repeat protein 10, PHOSPHATE ION, psaJ RNA
Authors:Li, Q, Yan, C, Wu, J, Yin, P, Yan, N.
Deposit date:2014-01-11
Release date:2014-09-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Examination of the dimerization states of the single-stranded RNA recognition protein pentatricopeptide repeat 10 (PPR10).
J.Biol.Chem., 289, 2014
2M4V
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BU of 2m4v by Molmil
Mycobacterium tuberculosis RNA polymerase binding protein A (RbpA) and its interactions with sigma factors
Descriptor: Putative uncharacterized protein
Authors:Bortoluzzi, A, Muskett, F.W, Waters, L.C, Addis, P.W, Rieck, B, Munder, T, Schleier, S, Forti, F, Ghisotti, D, Carr, M.D, O'Hare, H.M.
Deposit date:2013-02-11
Release date:2013-04-17
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Mycobacterium tuberculosis RNA polymerase-binding protein A (RbpA) and its interactions with sigma factors.
J.Biol.Chem., 288, 2013
4WZN
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BU of 4wzn by Molmil
CRYSTAL STRUCTURE OF THE 2B PROTEIN SOLUBLE DOMAIN FROM HEPATITIS A VIRUS
Descriptor: GLYCEROL, Genome polyprotein
Authors:Garriga, D, Vives-Adrian, L, Buxaderas, M, Ferreira-da-Silva, F, Almeida, B, Macedo-Ribeiro, S, Pereira, P.J, Verdaguer, N.
Deposit date:2014-11-20
Release date:2015-01-28
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural Basis for Host Membrane Remodeling Induced by Protein 2B of Hepatitis A Virus.
J.Virol., 89, 2015
3EI2
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BU of 3ei2 by Molmil
Structure of hsDDB1-drDDB2 bound to a 16 bp abasic site containing DNA-duplex
Descriptor: 5'-D(*DAP*DAP*DAP*DTP*DGP*DAP*DAP*DTP*(3DR)P*DAP*DAP*DGP*DCP*DAP*DGP*DG)-3', 5'-D(*DCP*DCP*DTP*DGP*DCP*DTP*DTP*DTP*DAP*DTP*DTP*DCP*DAP*DTP*DTP*DT)-3', DNA damage-binding protein 1, ...
Authors:Scrima, A, Thoma, N.H.
Deposit date:2008-09-15
Release date:2009-01-20
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis of UV DNA-damage recognition by the DDB1-DDB2 complex.
Cell(Cambridge,Mass.), 135, 2008
5ALJ
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BU of 5alj by Molmil
ligand complex structure of soluble epoxide hydrolase
Descriptor: 2-(3-fluoro-4-methyl-anilino)-4-methyl-quinolin-5-ol, BIFUNCTIONAL EPOXIDE HYDROLASE 2, GLYCEROL, ...
Authors:Oster, L, Tapani, S, Xue, Y, Kack, H.
Deposit date:2015-03-08
Release date:2015-05-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
4OLY
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BU of 4oly by Molmil
Crystal structure of antibody VRC07-G54R in complex with clade A/E 93TH057 HIV-1 gp120 core
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen binding fragment of heavy chain: Antibody VRC01, Antigen binding fragment of light chain: Antibody VRC01, ...
Authors:Kwon, Y.D, Kwong, P.D.
Deposit date:2014-01-25
Release date:2014-09-03
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.351 Å)
Cite:Enhanced Potency of a Broadly Neutralizing HIV-1 Antibody In Vitro Improves Protection against Lentiviral Infection In Vivo.
J.Virol., 88, 2014
2CRX
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BU of 2crx by Molmil
STRUCTURE OF THE HOLLIDAY JUNCTION INTERMEDIATE IN CRE-LOXP SITE-SPECIFIC RECOMBINATION
Descriptor: DNA 35-MER, PROTEIN (CRE RECOMBINASE)
Authors:Gopaul, D.N, Guo, F, Vanduyne, G.D.
Deposit date:1998-06-19
Release date:1999-12-14
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of the Holliday junction intermediate in Cre-loxP site-specific recombination.
EMBO J., 17, 1998
2VN5
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BU of 2vn5 by Molmil
The Clostridium cellulolyticum dockerin displays a dual binding mode for its cohesin partner
Descriptor: CALCIUM ION, ENDOGLUCANASE A, SCAFFOLDING PROTEIN
Authors:Pinheiro, B.A, Prates, J.A.M, Proctor, M.R, Gilbert, H.J, Davies, G.J, Money, V.A, Martinez-Fleites, C, Bayer, E.A, Fontes, C.M.G.A, Fierobe, H.P.
Deposit date:2008-01-31
Release date:2008-05-20
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The Clostridium Cellulolyticum Dockerin Displays a Dual Binding Mode for its Cohesin Partner.
J.Biol.Chem., 283, 2008
2LYC
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BU of 2lyc by Molmil
Structure of C-terminal domain of Ska1
Descriptor: Spindle and kinetochore-associated protein 1 homolog
Authors:Boeszoermenyi, A, Schmidt, J.C, Markus, M, Oberer, M, Cheeseman, I.M, Wagner, G, Arthanari, H.
Deposit date:2012-09-14
Release date:2012-10-24
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:The kinetochore-bound ska1 complex tracks depolymerizing microtubules and binds to curved protofilaments.
Dev.Cell, 23, 2012
4OMG
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BU of 4omg by Molmil
Crystal structure of the bacterial diterpene cyclase COTB2
Descriptor: 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, Geranylgeranyl diphosphate cyclase, SODIUM ION
Authors:Janke, R, Goerner, C, Hirte, M, Brueck, T, Loll, B.
Deposit date:2014-01-27
Release date:2014-06-04
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:The first structure of a bacterial diterpene cyclase: CotB2.
Acta Crystallogr.,Sect.D, 70, 2014
5AC6
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BU of 5ac6 by Molmil
S.enterica HisA mutant D10G, dup13-15, Q24L, G102A
Descriptor: 1-(5-phosphoribosyl)-5-[(5-phosphoribosylamino)methylideneamino] imidazole-4-carboxamide isomerase, SULFATE ION
Authors:Guo, X, Soderholm, A, Newton, M, Nasvall, J, Andersson, D, Patrick, W, Selmer, M.
Deposit date:2015-08-12
Release date:2016-09-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.993 Å)
Cite:The Protein Structures, Functions and Dynamics of Adaptive Evolution
To be Published
4WYO
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BU of 4wyo by Molmil
Crystal structure of human-yeast chimera acetyl coA carboxylase CT domain bound to Compound 1
Descriptor: 2'-tert-butyl-1-(2H-indazol-5-ylcarbonyl)-2'H-spiro[piperidine-4,5'-pyrano[3,2-c]pyrazol]-7'(6'H)-one, Acetyl-CoA carboxylase
Authors:Vajdos, F.F.
Deposit date:2014-11-17
Release date:2015-01-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Decreasing the Rate of Metabolic Ketone Reduction in the Discovery of a Clinical Acetyl-CoA Carboxylase Inhibitor for the Treatment of Diabetes.
J.Med.Chem., 57, 2014
1P2D
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BU of 1p2d by Molmil
Crystal Structure of Glycogen Phosphorylase B in complex with Beta Cyclodextrin
Descriptor: Glycogen phosphorylase, muscle form, PYRIDOXAL-5'-PHOSPHATE, ...
Authors:Pinotsis, N, Leonidas, D.D, Chrysina, E.D, Oikonomakos, N.G, Mavridis, I.M.
Deposit date:2003-04-15
Release date:2003-09-02
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:The binding of beta- and gamma-cyclodextrins to glycogen phosphorylase b: Kinetic and crystallographic studies.
Protein Sci., 12, 2003
4OFY
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BU of 4ofy by Molmil
Crystal Structure of the Complex of SYG-1 D1-D2 and SYG-2 D1-D4
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ETHYL MERCURY ION, ...
Authors:Ozkan, E, Garcia, K.C.
Deposit date:2014-01-15
Release date:2014-02-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Extracellular Architecture of the SYG-1/SYG-2 Adhesion Complex Instructs Synaptogenesis.
Cell(Cambridge,Mass.), 156, 2014
2Z2B
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BU of 2z2b by Molmil
Deletion 107-116 mutant of dihydroorotase from E. coli
Descriptor: Dihydroorotase, ZINC ION
Authors:Lee, M, Maher, M.J, Guss, J.M.
Deposit date:2007-05-17
Release date:2007-10-09
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Kinetic and Structural Analysis of Mutant Escherichia coli Dihydroorotases: A Flexible Loop Stabilizes the Transition State
Biochemistry, 46, 2007
5DJS
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BU of 5djs by Molmil
Thermobaculum terrenum O-GlcNAc transferase mutant - K341M
Descriptor: Tetratricopeptide TPR_2 repeat protein, URIDINE-5'-DIPHOSPHATE
Authors:Ostrowski, A, Gundogdu, M, Ferenbach, A.T, Lebedev, A, van Aalten, D.M.F.
Deposit date:2015-09-02
Release date:2015-10-28
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Evidence for a Functional O-Linked N-Acetylglucosamine (O-GlcNAc) System in the Thermophilic Bacterium Thermobaculum terrenum.
J.Biol.Chem., 290, 2015
6WAH
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BU of 6wah by Molmil
Crystal Structure of SmcR L139R from Vibrio vulnificus
Descriptor: 1,2-ETHANEDIOL, LuxR family transcriptional regulator, SULFATE ION
Authors:Newman, J.D, Russell, M.M, Gonzalez-Gutierrez, G, van Kessel, J.C.
Deposit date:2020-03-25
Release date:2020-06-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:The DNA binding domain of the Vibrio vulnificus SmcR transcription factor is flexible and binds diverse DNA sequences.
Nucleic Acids Res., 49, 2021
5A5K
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BU of 5a5k by Molmil
AtGSTF2 from Arabidopsis thaliana in complex with camalexin
Descriptor: (2Z)-2-indol-3-ylidene-3H-1,3-thiazole, GLUTATHIONE S-TRANSFERASE F2
Authors:Ahmad, L, Rylott, E, Bruce, N.C, Edwards, R, Grogan, G.
Deposit date:2015-06-18
Release date:2016-06-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.77 Å)
Cite:Structural evidence for Arabidopsis glutathione transferase AtGSTF2 functioning as a transporter of small organic ligands.
FEBS Open Bio, 7, 2017
4FSE
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BU of 4fse by Molmil
crystal structure of beta-site app-cleaving enzyme 1 (bace-wt) complex with N-(N-(4-amino-3,5- dichlorobenzyl)carbamimidoyl)-3-(4-methoxyphenyl)-5- methyl-4-isothiazolecarboxamide
Descriptor: Beta-secretase 1, IODIDE ION, N-[N-(4-amino-3,5-dichlorobenzyl)carbamimidoyl]-3-(4-methoxyphenyl)-5-methyl-1,2-thiazole-4-carboxamide
Authors:Muckelbauer, J.K.
Deposit date:2012-06-27
Release date:2012-10-10
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Acyl guanidine inhibitors of beta-secretase (BACE-1): optimization of a micromolar hit to a nanomolar lead via iterative solid- and solution-phase library synthesis
J.Med.Chem., 55, 2012
4WZQ
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BU of 4wzq by Molmil
Mutant K20E of RNA dependent RNA polymerase 3D from Foot-and-Mouth disease Virus complexed with RNA
Descriptor: MANGANESE (II) ION, RNA dependent-RNA polymerase 3D, RNA template, ...
Authors:Verdaguer, N, Ferrer-Orta, C.
Deposit date:2014-11-20
Release date:2015-05-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Multifunctionality of a picornavirus polymerase domain: nuclear localization signal and nucleotide recognition.
J.Virol., 89, 2015
5X5B
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BU of 5x5b by Molmil
Prefusion structure of SARS-CoV spike glycoprotein, conformation 2
Descriptor: Spike glycoprotein
Authors:Yuan, Y, Cao, D, Zhang, Y, Ma, J, Qi, J, Wang, Q, Lu, G, Wu, Y, Yan, J, Shi, Y, Zhang, X, Gao, G.F.
Deposit date:2017-02-15
Release date:2017-05-03
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Cryo-EM structures of MERS-CoV and SARS-CoV spike glycoproteins reveal the dynamic receptor binding domains
Nat Commun, 8, 2017
6W0E
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BU of 6w0e by Molmil
Open-gate KcsA soaked in 10 mM BaCl2
Descriptor: BARIUM ION, Fab Heavy Chain, Fab Light Chain, ...
Authors:Rohaim, A, Gong, L, Li, J.
Deposit date:2020-02-29
Release date:2020-07-08
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (3.512 Å)
Cite:Open and Closed Structures of a Barium-Blocked Potassium Channel.
J.Mol.Biol., 432, 2020

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數據於2024-10-16公開中

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