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4C2Z
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BU of 4c2z by Molmil
Human N-myristoyltransferase (NMT1) with Myristoyl-CoA and inhibitor bound
Descriptor: 2,6-dichloro-4-(2-piperazin-1-ylpyridin-4-yl)-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzenesulfonamide, CHLORIDE ION, CITRIC ACID, ...
Authors:Thinon, E, Serwa, R.A, Brannigan, J.A, Brassat, U, Wright, M.H, Heal, W.P, Wilkinson, A.J, Mann, D.J, Tate, E.W.
Deposit date:2013-08-20
Release date:2014-10-01
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Chemical Proteomics Defines the Mammalian N- Myristoylated Proteome in Live Cells Global Profiling of Co- and Post-Translationally N-Myristoylated Proteomes in Human Cells.
Nat.Commun., 5, 2014
3WYN
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BU of 3wyn by Molmil
Structure of calcium bound cutinase Est119 from Thermobifida alba.
Descriptor: CALCIUM ION, Esterase, NONAETHYLENE GLYCOL
Authors:Kitadokoro, K, Thumarat, U, Kawai, F.
Deposit date:2014-09-02
Release date:2014-09-24
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Structure of calcium bound cutinase Est119 from Thermobifida alba.
To be Published
3P97
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BU of 3p97 by Molmil
Dengue 3 NS5 Methyltransferase bound to the substrate S-Adenosyl methionine
Descriptor: Non-structural protein 5, S-ADENOSYLMETHIONINE
Authors:Noble, C.G, Yap, L.J, Lescar, J.
Deposit date:2010-10-16
Release date:2010-12-08
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Small molecule inhibitors that selectively block dengue virus methyltransferase
J.Biol.Chem., 286, 2011
4CX4
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BU of 4cx4 by Molmil
Structure of rat neuronal nitric oxide synthase M336V D597N mutant heme domain in complex with 4-METHYL-6-(((3R,4R)-4-((5-(4- METHYLPYRIDIN-2-YL)PENTYL)OXY)PYRROLIDIN-3-YL)METHYL)PYRIDIN-2-AMINE
Descriptor: 4-methyl-6-{[(3R,4R)-4-{[5-(4-methylpyridin-2-yl)pentyl]oxy}pyrrolidin-3-yl]methyl}pyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2014-04-03
Release date:2014-08-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Mobility of a Conserved Tyrosine Residue Controls Isoform-Dependent Enzyme-Inhibitor Interactions in Nitric Oxide Synthases.
Biochemistry, 53, 2014
6A7A
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BU of 6a7a by Molmil
AKR1C1 complexed with new inhibitor with novel scaffold
Descriptor: (4R)-6-amino-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-3-propyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile, Aldo-keto reductase family 1 member C1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Zheng, X, Zhao, Y, Zhang, H, Chen, Y.
Deposit date:2018-07-02
Release date:2019-07-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Screening, synthesis, crystal structure, and molecular basis of 6-amino-4-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitriles as novel AKR1C3 inhibitors.
Bioorg.Med.Chem., 26, 2018
4CG6
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BU of 4cg6 by Molmil
Cryo-em of the Sec61-complex bound to the 80s ribosome translating a membrane-inserting substrate
Descriptor: PEPTIDE, PROTEIN TRANSPORT PROTEIN SEC61 SUBUNIT ALPHA ISOFORM 1, PROTEIN TRANSPORT PROTEIN SEC61 SUBUNIT BETA, ...
Authors:Gogala, M, Becker, T, Beatrix, B, Barrio-Garcia, C, Berninghausen, O, Beckmann, R.
Deposit date:2013-11-21
Release date:2014-02-05
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (7.8 Å)
Cite:Structures of the Sec61 Complex Engaged in Nascent Peptide Translocation or Membrane Insertion.
Nature, 506, 2014
6AD8
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BU of 6ad8 by Molmil
Crystal structure of the E148D mutant CLC-ec1 in 50 mM bromide
Descriptor: BROMIDE ION, H(+)/Cl(-) exchange transporter ClcA, antibody Fab fragment heavy chain, ...
Authors:Lim, H.-H, Park, K.
Deposit date:2018-07-31
Release date:2019-08-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Mutation of external glutamate residue reveals a new intermediate transport state and anion binding site in a CLC Cl-/H+antiporter.
Proc.Natl.Acad.Sci.USA, 116, 2019
3WYI
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BU of 3wyi by Molmil
Structure of S. aureus undecaprenyl diphosphate synthase
Descriptor: Isoprenyl transferase, MAGNESIUM ION
Authors:Gao, J, Ko, T.P, Huang, C.H, Oldfield, E, Guo, R.T.
Deposit date:2014-08-29
Release date:2015-02-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Antibacterial drug leads: DNA and enzyme multitargeting.
J.Med.Chem., 58, 2015
3P50
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BU of 3p50 by Molmil
Structure of propofol bound to a pentameric ligand-gated ion channel, GLIC
Descriptor: 2,6-BIS(1-METHYLETHYL)PHENOL, DIUNDECYL PHOSPHATIDYL CHOLINE, DODECYL-BETA-D-MALTOSIDE, ...
Authors:Nury, H, Van Renterghem, C, Weng, Y, Tran, A, Baaden, M, Dufresne, V, Changeux, J.P, Sonner, J.M, Delarue, M, Corringer, P.J.
Deposit date:2010-10-07
Release date:2011-01-19
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:X-ray structures of general anaesthetics bound to a pentameric ligand-gated ion channel
Nature, 469, 2011
4CGT
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BU of 4cgt by Molmil
DELETION MUTANT DELTA(145-150), F151D OF CYCLODEXTRIN GLYCOSYLTRANSFERASE
Descriptor: CALCIUM ION, CYCLODEXTRIN GLYCOSYLTRANSFERASE
Authors:Parsiegla, G, Schulz, G.E.
Deposit date:1998-06-06
Release date:1998-08-12
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Substrate binding to a cyclodextrin glycosyltransferase and mutations increasing the gamma-cyclodextrin production.
Eur.J.Biochem., 255, 1998
3TY7
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BU of 3ty7 by Molmil
Crystal Structure of Aldehyde Dehydrogenase family Protein from Staphylococcus aureus
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, MAGNESIUM ION, ...
Authors:Kim, Y, Joachimiak, G, Jedrzejczak, R, Rubin, E, Ioerger, T, Sacchettini, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors (MTBI)
Deposit date:2011-09-23
Release date:2011-10-19
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structure of Aldehyde Dehydrogenase family Protein from Staphylococcus aureus
To be Published
3TYN
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BU of 3tyn by Molmil
Structure of neuronal nitric oxide synthase heme domain in complex with 2-(((2-(((3S,4S)-4-((6-amino-4-methylpyridin-2-yl)methyl)pyrrolidin-3-yl)oxy)ethyl)amino)methyl)phenol
Descriptor: 2-({[2-({(3S,4S)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}oxy)ethyl]amino}methyl)phenol, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2011-09-26
Release date:2012-03-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.968 Å)
Cite:Intramolecular hydrogen bonding: A potential strategy for more bioavailable inhibitors of neuronal nitric oxide synthase.
Bioorg.Med.Chem., 20, 2012
3P5Q
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BU of 3p5q by Molmil
Ferric R-state human aquomethemoglobin
Descriptor: Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Yi, J, Thomas, L.M, Richter-Addo, G.B.
Deposit date:2010-10-10
Release date:2011-06-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of human R-state aquomethemoglobin at 2.0 A resolution
Acta Crystallogr.,Sect.F, 67, 2011
6A93
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BU of 6a93 by Molmil
Crystal structure of 5-HT2AR in complex with risperidone
Descriptor: 3-[2-[4-(6-fluoranyl-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one, 5-hydroxytryptamine receptor 2A,Soluble cytochrome b562, CHOLESTEROL, ...
Authors:Kimura, T.K, Asada, H, Inoue, A, Kadji, F.M.N, Im, D, Mori, C, Arakawa, T, Hirata, K, Nomura, Y, Nomura, N, Aoki, J, Iwata, S, Shimamura, T.
Deposit date:2018-07-11
Release date:2019-02-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structures of the 5-HT2Areceptor in complex with the antipsychotics risperidone and zotepine.
Nat.Struct.Mol.Biol., 26, 2019
4CRV
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BU of 4crv by Molmil
Complex of human CNOT9 and CNOT1 including two tryptophans
Descriptor: CCR4-NOT TRANSCRIPTION COMPLEX SUBUNIT 1, CELL DIFFERENTIATION PROTEIN RCD1 HOMOLOG, GLYCEROL, ...
Authors:Boland, A, Chen, Y, Izaurralde, E, Weichenrieder, O.
Deposit date:2014-03-01
Release date:2014-05-07
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:A Ddx6-Cnot1 Complex and W-Binding Pockets in Cnot9 Reveal Direct Links between Mirna Target Recognition and Silencing
Mol.Cell, 54, 2014
4CG7
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BU of 4cg7 by Molmil
Cryo-EM of the Sec61-complex bound to the idle 80S ribosome
Descriptor: PROTEIN TRANSPORT PROTEIN SEC61 SUBUNIT ALPHA ISOFORM 1, PROTEIN TRANSPORT PROTEIN SEC61 SUBUNIT GAMMA, TRANSPORT PROTEIN SEC61 SUBUNIT BETA
Authors:Gogala, M, Becker, T, Beatrix, B, Barrio-Garcia, C, Berninghausen, O, Beckmann, R.
Deposit date:2013-11-21
Release date:2014-02-05
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (6.9 Å)
Cite:Structures of the Sec61 Complex Engaged in Nascent Peptide Translocation or Membrane Insertion.
Nature, 506, 2014
3X23
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BU of 3x23 by Molmil
Radixin complex
Descriptor: Peptide from Matrix metalloproteinase-14, Radixin
Authors:Terawaki, S, Kitano, K, Aoyama, M, Mori, T, Hakoshima, T.
Deposit date:2014-12-09
Release date:2015-10-21
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.396 Å)
Cite:MT1-MMP recognition by ERM proteins and its implication in CD44 shedding
Genes Cells, 20, 2015
3P4W
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BU of 3p4w by Molmil
Structure of desflurane bound to a pentameric ligand-gated ion channel, GLIC
Descriptor: (2S)-2-(difluoromethoxy)-1,1,1,2-tetrafluoroethane, DIUNDECYL PHOSPHATIDYL CHOLINE, DODECYL-BETA-D-MALTOSIDE, ...
Authors:Nury, H, Van Renterghem, C, Weng, Y, Tran, A, Baaden, M, Dufresne, V, Changeux, J.P, Sonner, J.M, Delarue, M, Corringer, P.J.
Deposit date:2010-10-07
Release date:2011-01-19
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:X-ray structures of general anaesthetics bound to a pentameric ligand-gated ion channel
Nature, 469, 2011
3WYJ
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BU of 3wyj by Molmil
Structure of E. coli undecaprenyl diphosphate synthase in complex with BPH-789
Descriptor: Ditrans,polycis-undecaprenyl-diphosphate synthase ((2E,6E)-farnesyl-diphosphate specific), [1-oxidanyl-2-[3-[3-[[3-[[3-[3-(2-oxidanyl-2,2-diphosphono-ethyl)phenyl]phenyl]sulfamoyl]phenyl]sulfonylamino]phenyl]phenyl]-1-phosphono-ethyl]phosphonic acid
Authors:Gao, J, Ko, T.P, Huang, C.H, Oldfield, E, Guo, R.T.
Deposit date:2014-08-29
Release date:2015-02-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Antibacterial drug leads: DNA and enzyme multitargeting.
J.Med.Chem., 58, 2015
3U9W
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BU of 3u9w by Molmil
Structure of human Leukotriene A4 hydrolase in complex with inhibitor sc57461A
Descriptor: ACETATE ION, CHLORIDE ION, GLYCEROL, ...
Authors:Niegowski, D, Thunnissen, M, Tholander, F, Rinaldo-Matthis, A, Muroya, A, Haeggstrom, J.Z.
Deposit date:2011-10-20
Release date:2012-10-24
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Structure of human Leukotriene A4 hydrolase in complex with inhibitor sc57461A
To be Published
3OUO
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BU of 3ouo by Molmil
Structure of the Nucleoprotein from Rift Valley Fever Virus
Descriptor: NITRITE ION, Nucleoprotein
Authors:Ferron, F, Danek, E.I, Li, Z, Luo, D, Wong, Y.H, Coutard, B, Lantez, V, Charrel, R, Canard, B, Walz, T, Lescar, J.
Deposit date:2010-09-15
Release date:2011-05-25
Last modified:2013-08-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The hexamer structure of Rift Valley fever virus nucleoprotein suggests a mechanism for its assembly into ribonucleoprotein complexes
Plos Pathog., 7, 2011
4E86
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BU of 4e86 by Molmil
Crystal structure of human alpha-defensin 5, HD5 (Leu29Aba mutant)
Descriptor: CHLORIDE ION, Defensin-5
Authors:Wu, X, Pazgier, M.
Deposit date:2012-03-19
Release date:2012-05-16
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Functional determinants of human enteric {alpha}-defensin HD5: crucial role for hydrophobicity at dimer interface.
J.Biol.Chem., 287, 2012
4ECB
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BU of 4ecb by Molmil
Chimeric GST Containing Inserts of Kininogen Peptides
Descriptor: chimeric protein between GSHKT10 and domain 5 of kininogen-1
Authors:Amber, A.B, Sergei, M.M, Yi, P, Rita, R, Xiaoping, Q, Marianne, P.-C, William, C.M, Vivien, Y, Keith, R.M, Anton, A.K.
Deposit date:2012-03-26
Release date:2012-05-16
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Chimeric glutathione S-transferases containing inserts of kininogen peptides: potential novel protein therapeutics.
J.Biol.Chem., 287, 2012
3OY8
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BU of 3oy8 by Molmil
Crystal structure of human galectin-1 in complex with lactobionic acid
Descriptor: Galectin-1, beta-D-galactopyranose-(1-4)-D-gluconic acid
Authors:Blanchard, H, Collins, P.M.
Deposit date:2010-09-23
Release date:2010-11-03
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Galectin inhibitory disaccharides promote tumour immunity in a breast cancer model
CANCER LETT., 2010
4EEC
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BU of 4eec by Molmil
Crystal Structure of the glycopeptide antibiotic sulfotransferase StaL complexed with A3P and desulfo-A47934.
Descriptor: ADENOSINE-3'-5'-DIPHOSPHATE, StaL, desulfo-A47934
Authors:Shi, R, Cygler, M.
Deposit date:2012-03-28
Release date:2012-07-04
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis of sulfonation of the glycopeptide antibiotic scaffold by the sulfotransferase StaL
Proc.Natl.Acad.Sci.USA, 2012

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数据于2024-09-04公开中

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