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PDB: 22297 results

6E0V
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BU of 6e0v by Molmil
Apo crystal structure of the colanidase tailspike protein gp150 of Phage Phi92
Descriptor: 1,2-ETHANEDIOL, Bacteriophage Phi92 gp150, CHLORIDE ION, ...
Authors:Leiman, P.G, Browning, C, Gerardy-Schahn, R, Shneider, M.M, Plattner, M, Schwarzer, D.
Deposit date:2018-07-07
Release date:2019-07-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structure of the colanidase tailspike protein gp150 of Phage Phi92 complexed with one repeating unit of colanic acid
To Be Published
3IW5
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BU of 3iw5 by Molmil
Human p38 MAP Kinase in Complex with an Indole Derivative
Descriptor: Mitogen-activated protein kinase 14, N-[2-(3-{[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]-3-(trifluoromethyl)benzamide, octyl beta-D-glucopyranoside
Authors:Gruetter, C, Simard, J.R, Rauh, D.
Deposit date:2009-09-02
Release date:2009-11-17
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:High-Throughput Screening To Identify Inhibitors Which Stabilize Inactive Kinase Conformations in p38alpha
J.Am.Chem.Soc., 131, 2009
6DZZ
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BU of 6dzz by Molmil
Cryo-EM Structure of the wild-type human serotonin transporter in complex with ibogaine and 15B8 Fab in the inward conformation
Descriptor: (5beta)-12-methoxyibogamine, 15B8 antibody heavy chain, 15B8 antibody light chain, ...
Authors:Yang, D, Coleman, J.A, Gouaux, E.
Deposit date:2018-07-05
Release date:2019-04-24
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Serotonin transporter-ibogaine complexes illuminate mechanisms of inhibition and transport.
Nature, 569, 2019
6E0W
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BU of 6e0w by Molmil
Crystal structure of the colanidase tailspike protein gp150 of Phage Phi92 complexed with one repeating unit of colanic acid
Descriptor: 1,2-ETHANEDIOL, 1,5-anhydro-4,6-O-[(1R)-1-carboxyethylidene]-D-galactitol, Bacteriophage Phi92 gp150, ...
Authors:Plattner, M, Browning, C, Gerardy-Schahn, R, Shneider, M.M, Leiman, P.G, Schwarzer, D.
Deposit date:2018-07-07
Release date:2019-07-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.803 Å)
Cite:Crystal structure of the colanidase tailspike protein gp150 of Phage Phi92 complexed with one repeating unit of colanic acid
To Be Published
3ISR
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BU of 3isr by Molmil
The Crystal Structure of a Putative Cysteine Protease from Cytophaga hutchinsonii to 1.9A
Descriptor: Transglutaminase-like enzymes, putative cysteine protease
Authors:Stein, A.J, Bigelow, L, Trevino, D, Buck, K, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2009-08-27
Release date:2009-09-08
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The Crystal Structure of a Putative Cysteine Protease from Cytophaga hutchinsonii to 1.9A
To be Published
3ITA
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BU of 3ita by Molmil
Crystal structure of Penicillin-Binding Protein 6 (PBP6) from E. coli in acyl-enzyme complex with ampicillin
Descriptor: (2R,4S)-2-[(1R)-1-{[(2R)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, (2S,5R,6R)-6-{[(2R)-2-AMINO-2-PHENYLETHANOYL]AMINO}-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID, D-alanyl-D-alanine carboxypeptidase dacC, ...
Authors:Chen, Y, Zhang, W, Shi, Q, Hesek, D, Lee, M, Mobashery, S, Shoichet, B.K.
Deposit date:2009-08-27
Release date:2009-10-20
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structures of penicillin-binding protein 6 from Escherichia coli.
J.Am.Chem.Soc., 131, 2009
3IDU
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BU of 3idu by Molmil
Crystal Structure of the CARDB domain of the PF1109 protein in complex with di-metal ions from Pyrococcus furiosus, Northeast Structural Genomics Consortium Target PfR193A
Descriptor: MANGANESE (II) ION, Uncharacterized protein
Authors:Forouhar, F, Neely, H, Seetharaman, J, Mao, M, Xiao, R, Ciccosanti, C, Lee, D, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2009-07-21
Release date:2009-08-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Northeast Structural Genomics Consortium Target PfR193A
To be Published
3I9I
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BU of 3i9i by Molmil
Crystal structure of human transthyretin variant A25T - #2
Descriptor: TRIETHYLENE GLYCOL, Transthyretin
Authors:Palmieri, L.C, Freire, J.B.B, Palhano, F.L, Azevedo, E.P.C, Foguel, D, Lima, L.M.T.R.
Deposit date:2009-07-11
Release date:2011-02-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of human transthyretin variant A25T - #2
To be Published
6RRH
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BU of 6rrh by Molmil
GOLGI ALPHA-MANNOSIDASE II
Descriptor: 1,2-ETHANEDIOL, Alpha-mannosidase 2, ZINC ION
Authors:Armstrong, Z, Lahav, D, Johnson, R, Kuo, C.L, Beenakker, T.J.M, de Boer, C, Wong, C.S, van Rijssel, E.R, Debets, M, Geurink, P.P, Ovaa, H, van der Stelt, M, Codee, J.D.C, Aerts, J.M.F.G, Wu, L, Overkleeft, H.S, Davies, G.J.
Deposit date:2019-05-18
Release date:2020-07-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Manno- epi -cyclophellitols Enable Activity-Based Protein Profiling of Human alpha-Mannosidases and Discovery of New Golgi Mannosidase II Inhibitors.
J.Am.Chem.Soc., 142, 2020
6ELP
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BU of 6elp by Molmil
Estimation of relative drug-target residence times by random acceleration molecular dynamics simulation
Descriptor: 4-[2-(2-chlorophenyl)pyrazol-3-yl]-6-(2-pyridin-2-ylethyl)benzene-1,3-diol, Heat shock protein HSP 90-alpha
Authors:Musil, D, Lehmann, M, Eggenweiler, H.-M.
Deposit date:2017-09-29
Release date:2018-05-30
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Estimation of Drug-Target Residence Times by tau-Random Acceleration Molecular Dynamics Simulations.
J Chem Theory Comput, 14, 2018
3IAE
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BU of 3iae by Molmil
Structure of benzaldehyde lyase A28S mutant with benzoylphosphonate
Descriptor: 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-{(S)-hydroxy[(R)-hydroxy(methoxy)phosphoryl]phenylmethyl}-5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium, Benzaldehyde lyase, CALCIUM ION
Authors:Brandt, G.S, Petsko, G.A, Ringe, D, McLeish, M.J.
Deposit date:2009-07-13
Release date:2010-03-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Active-site engineering of benzaldehyde lyase shows that a point mutation can confer both new reactivity and susceptibility to mechanism-based inhibition.
J.Am.Chem.Soc., 132, 2010
6ELX
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BU of 6elx by Molmil
Oryza sativa DWARF14
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, GLYCEROL, ...
Authors:Andersson, I, Carlsson, G.H, Hasse, D.
Deposit date:2017-09-29
Release date:2018-05-09
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:The elusive ligand complexes of the DWARF14 strigolactone receptor.
J. Exp. Bot., 69, 2018
6EQU
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BU of 6equ by Molmil
X-Ray crystal structure of the human carbonic anhydrase II adduct with a membrane-impermeant inhibitor
Descriptor: 4-[2-(2,4,6-triphenylpyridin-1-ium-1-yl)ethyl]benzenesulfonamide, Carbonic anhydrase 2, ZINC ION
Authors:Alterio, V, De Simone, G, Esposito, D.
Deposit date:2017-10-15
Release date:2017-12-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure of the human carbonic anhydrase II adduct with 1-(4-sulfamoylphenyl-ethyl)-2,4,6-triphenylpyridinium perchlorate, a membrane-impermeant, isoform selective inhibitor.
J Enzyme Inhib Med Chem, 33, 2018
3IIR
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BU of 3iir by Molmil
Crystal Structure of Miraculin like protein from seeds of Murraya koenigii
Descriptor: Trypsin inhibitor
Authors:Gahloth, D, Selvakumar, P, Shee, C, Kumar, P, Sharma, A.K.
Deposit date:2009-08-03
Release date:2009-12-08
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Cloning, sequence analysis and crystal structure determination of a miraculin-like protein from Murraya koenigii
Arch.Biochem.Biophys., 494, 2010
3IK8
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BU of 3ik8 by Molmil
Structure-Based Design of Novel PIN1 Inhibitors (I)
Descriptor: Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Authors:Matthews, D, Greasley, S, Ferre, R.A, Parge, H.
Deposit date:2009-08-05
Release date:2009-09-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure-based design of novel human Pin1 inhibitors (I).
Bioorg.Med.Chem.Lett., 19, 2009
6E59
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BU of 6e59 by Molmil
Crystal structure of the human NK1 tachykinin receptor
Descriptor: 1-(4-{[(2R,3S)-2-{(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy}-3-(4-fluorophenyl)morpholin-4-yl]methyl}-1H-1,2,3-triazol-5-yl)-N,N-dimethylmethanamine, Substance-P receptor, GlgA glycogen synthase, ...
Authors:Yin, J, Clark, L, Chapman, K, Shao, Z, Borek, D, Xu, Q, Wang, J, Rosenbaum, D.M.
Deposit date:2018-07-19
Release date:2018-12-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Crystal structure of the human NK1tachykinin receptor.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
3IF6
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BU of 3if6 by Molmil
Crystal structure of OXA-46 beta-lactamase from P. aeruginosa
Descriptor: 1,2-ETHANEDIOL, HEXAETHYLENE GLYCOL, L(+)-TARTARIC ACID, ...
Authors:Docquier, J.D, Benvenuti, M, Calderone, V, Giuliani, F, Kapetis, D, De Luca, F, Rossolini, G.M, Mangani, S.
Deposit date:2009-07-24
Release date:2010-03-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of the narrow-spectrum OXA-46 class D beta-lactamase: relationship between active-site lysine carbamylation and inhibition by polycarboxylates
Antimicrob.Agents Chemother., 54, 2010
6RKA
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BU of 6rka by Molmil
Inter-dimeric interface controls function and stability of S-methionine adenosyltransferase from U. urealiticum
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Methionine adenosyltransferase, PHOSPHATE ION, ...
Authors:Shahar, A, Zarivach, R, Bershtein, S, Kleiner, D, Shmulevich, F.
Deposit date:2019-04-30
Release date:2019-09-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The interdimeric interface controls function and stability of Ureaplasma urealiticum methionine S-adenosyltransferase.
J.Mol.Biol., 431, 2019
3IPI
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BU of 3ipi by Molmil
Crystal Structure of a Geranyltranstransferase from the Methanosarcina mazei
Descriptor: Geranyltranstransferase, MALONIC ACID
Authors:Kumaran, D, Mohammed, M.B, Brown, A, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2009-08-17
Release date:2009-09-08
Last modified:2021-02-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of a Geranyltranstransferase from the Methanosarcina mazei
To be Published
6E9Z
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BU of 6e9z by Molmil
DHF119 filament
Descriptor: DHF119 filament
Authors:Lynch, E.M, Shen, H, Fallas, J.A, Kollman, J.M, Baker, D.
Deposit date:2018-08-01
Release date:2018-11-21
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:De novo design of self-assembling helical protein filaments.
Science, 362, 2018
6RPK
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BU of 6rpk by Molmil
non-expanded bat circovirus with DNA VLP
Descriptor: Capsid protein
Authors:Forwood, J.K, Luque, D, Mata, C.P, Das, S, Raidal, S.
Deposit date:2019-05-14
Release date:2020-11-25
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (2.84 Å)
Cite:non-expanded bat circovirus with DNA VLP
To Be Published
6EBA
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BU of 6eba by Molmil
Crystal Structure of A Bacterial Homolog to Human Lysosomal Transporter, Spinster, in Inward-facing And Unoccupied Conformation
Descriptor: Major facilitator family transporter
Authors:Zhou, F, Yao, D, Rao, B, Zhang, L, Cao, Y.
Deposit date:2018-08-06
Release date:2019-08-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.812 Å)
Cite:Crystal structure of a bacterial homolog to human lysosomal transporter, spinster
Sci Bull (Beijing), 64, 2019
6RPO
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BU of 6rpo by Molmil
bat circovirus without DNA VLP
Descriptor: bat circovirus capsid protein
Authors:Forwood, J.K, Luque, D, Mata, C.P, Das, S, Raidal, S.
Deposit date:2019-05-14
Release date:2020-11-25
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (2.39 Å)
Cite:bat circovirus without DNA VLP
To Be Published
6RPS
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BU of 6rps by Molmil
X-ray crystal structure of carbonic anhydrase XII complexed with a theranostic monoclonal antibody fragment
Descriptor: ACETATE ION, CADMIUM ION, CHLORIDE ION, ...
Authors:Alterio, V, Esposito, D, De Simone, G.
Deposit date:2019-05-14
Release date:2019-11-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Biochemical and Structural Insights into Carbonic Anhydrase XII/Fab6A10 Complex.
J.Mol.Biol., 431, 2019
6EBM
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BU of 6ebm by Molmil
The voltage-activated Kv1.2-2.1 paddle chimera channel in lipid nanodiscs, transmembrane domain of subunit alpha
Descriptor: Potassium voltage-gated channel subfamily A member 2,Potassium voltage-gated channel subfamily B member 2 chimera
Authors:Matthies, D, Bae, C, Fox, T, Bartesaghi, A, Subramaniam, S, Swartz, K.J.
Deposit date:2018-08-06
Release date:2018-08-22
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Single-particle cryo-EM structure of a voltage-activated potassium channel in lipid nanodiscs.
Elife, 7, 2018

223790

数据于2024-08-14公开中

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