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3VC3
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BU of 3vc3 by Molmil
Crystal structure of beta-cyanoalanine synthase K95A mutant in soybean
Descriptor: N-({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)-L-CYSTEINE, beta-cyanoalnine synthase
Authors:Yi, H, Jez, J.M.
Deposit date:2012-01-03
Release date:2012-09-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.766 Å)
Cite:Structure of Soybean beta-Cyanoalanine Synthase and the Molecular Basis for Cyanide Detoxification in Plants.
Plant Cell, 24, 2012
3VBE
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BU of 3vbe by Molmil
Crystal structure of beta-cyanoalanine synthase in soybean
Descriptor: PYRIDOXAL-5'-PHOSPHATE, beta-cyanoalnine synthase
Authors:Yi, H, Jez, J.M.
Deposit date:2012-01-02
Release date:2012-09-12
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of Soybean beta-Cyanoalanine Synthase and the Molecular Basis for Cyanide Detoxification in Plants.
Plant Cell, 24, 2012
7R6X
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BU of 7r6x by Molmil
SARS-CoV-2 spike receptor-binding domain (RBD) in complex with S2E12 Fab, S309 Fab, and S304 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Monoclonal antibody S2E12 Fab heavy chain, ...
Authors:Snell, G, Czudnochowski, N, Croll, T.I, Nix, J.C, Corti, D, Cameroni, E, Pinto, D, Beltramello, M.
Deposit date:2021-06-23
Release date:2021-07-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:SARS-CoV-2 RBD antibodies that maximize breadth and resistance to escape.
Nature, 597, 2021
8VEW
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BU of 8vew by Molmil
Crystal structure of PRMT5:MEP50 in complex with MTA and oxamide compound 24
Descriptor: 5'-DEOXY-5'-METHYLTHIOADENOSINE, 5-{2-[(2R,5S)-5-methyl-2-phenylpiperidin-1-yl](oxo)acetamido}pyridine-3-carboxamide, CHLORIDE ION, ...
Authors:Whittington, D.A.
Deposit date:2023-12-20
Release date:2024-04-24
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Discovery of TNG908: A Selective, Brain Penetrant, MTA-Cooperative PRMT5 Inhibitor That Is Synthetically Lethal with MTAP -Deleted Cancers.
J.Med.Chem., 67, 2024
8VEY
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BU of 8vey by Molmil
Crystal structure of PRMT5:MEP50 in complex with MTA and TNG908
Descriptor: 1,2-ETHANEDIOL, 5'-DEOXY-5'-METHYLTHIOADENOSINE, CHLORIDE ION, ...
Authors:Whittington, D.A.
Deposit date:2023-12-20
Release date:2024-04-24
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Discovery of TNG908: A Selective, Brain Penetrant, MTA-Cooperative PRMT5 Inhibitor That Is Synthetically Lethal with MTAP -Deleted Cancers.
J.Med.Chem., 67, 2024
8VEU
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BU of 8veu by Molmil
Crystal structure of PRMT5:MEP50 in complex with MTA and oxamide compound 23
Descriptor: 1,2-ETHANEDIOL, 5'-DEOXY-5'-METHYLTHIOADENOSINE, Methylosome protein 50, ...
Authors:Whittington, D.A.
Deposit date:2023-12-20
Release date:2024-04-24
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Discovery of TNG908: A Selective, Brain Penetrant, MTA-Cooperative PRMT5 Inhibitor That Is Synthetically Lethal with MTAP -Deleted Cancers.
J.Med.Chem., 67, 2024
8VET
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BU of 8vet by Molmil
Crystal structure of PRMT5:MEP50 in complex with MTA and oxamide compound 1
Descriptor: 1,2-ETHANEDIOL, 5'-DEOXY-5'-METHYLTHIOADENOSINE, CHLORIDE ION, ...
Authors:Whittington, D.A.
Deposit date:2023-12-20
Release date:2024-04-24
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:Discovery of TNG908: A Selective, Brain Penetrant, MTA-Cooperative PRMT5 Inhibitor That Is Synthetically Lethal with MTAP -Deleted Cancers.
J.Med.Chem., 67, 2024
8VEX
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BU of 8vex by Molmil
Crystal structure of PRMT5:MEP50 in complex with MTA and oxamide compound 28
Descriptor: 5'-DEOXY-5'-METHYLTHIOADENOSINE, CHLORIDE ION, GLYCEROL, ...
Authors:Whittington, D.A.
Deposit date:2023-12-20
Release date:2024-04-24
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Discovery of TNG908: A Selective, Brain Penetrant, MTA-Cooperative PRMT5 Inhibitor That Is Synthetically Lethal with MTAP -Deleted Cancers.
J.Med.Chem., 67, 2024
7R6W
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BU of 7r6w by Molmil
SARS-CoV-2 spike receptor-binding domain (RBD) in complex with S2X35 Fab and S309 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, GLYCEROL, ...
Authors:Snell, G, Czudnochowski, N, Hernandez, P, Nix, J.C, Croll, T.I, Corti, D, Cameroni, E, Pinto, D, Beltramello, M.
Deposit date:2021-06-23
Release date:2021-07-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:SARS-CoV-2 RBD antibodies that maximize breadth and resistance to escape.
Nature, 597, 2021
5NV3
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BU of 5nv3 by Molmil
Structure of Rubisco from Rhodobacter sphaeroides in complex with CABP
Descriptor: 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, MAGNESIUM ION, Ribulose bisphosphate carboxylase large chain, ...
Authors:Bracher, A, Milicic, G, Ciniawsky, S, Wendler, P, Hayer-Hartl, M, Hartl, F.U.
Deposit date:2017-05-03
Release date:2017-07-26
Last modified:2017-09-20
Method:ELECTRON MICROSCOPY (3.39 Å)
Cite:Mechanism of Enzyme Repair by the AAA(+) Chaperone Rubisco Activase.
Mol. Cell, 67, 2017
2DD9
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BU of 2dd9 by Molmil
A mutant of GFP-like protein from Chiridius poppei
Descriptor: 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, CHLORIDE ION, green fluorescent protein
Authors:Suto, K, Masuda, H, Takenaka, Y, Mizuno, H.
Deposit date:2006-01-24
Release date:2007-01-23
Last modified:2021-11-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis for red-shifted emission of a GFP-like protein from the marine copepod Chiridius poppei
Genes Cells, 14, 2009
2DD7
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BU of 2dd7 by Molmil
A GFP-like protein from marine copepod, Chiridius poppei
Descriptor: 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, CHLORIDE ION, green fluorescent protein
Authors:Suto, K, Masuda, H, Takenaka, Y, Mizuno, H.
Deposit date:2006-01-23
Release date:2007-01-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis for red-shifted emission of a GFP-like protein from the marine copepod Chiridius poppei
Genes Cells, 14, 2009
4TVF
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BU of 4tvf by Molmil
OxyB from Actinoplanes teichomyceticus
Descriptor: OxyB, PROTOPORPHYRIN IX CONTAINING FE
Authors:Haslinger, K, Cryle, M.J.
Deposit date:2014-06-26
Release date:2014-11-12
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Cytochrome P450 OxyBtei Catalyzes the First Phenolic Coupling Step in Teicoplanin Biosynthesis.
Chembiochem, 15, 2014
1A4L
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BU of 1a4l by Molmil
ADA STRUCTURE COMPLEXED WITH DEOXYCOFORMYCIN AT PH 7.0
Descriptor: 2'-DEOXYCOFORMYCIN, ADENOSINE DEAMINASE, ZINC ION
Authors:Wang, Z, Quiocho, F.A.
Deposit date:1998-01-31
Release date:1998-10-14
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Complexes of adenosine deaminase with two potent inhibitors: X-ray structures in four independent molecules at pH of maximum activity.
Biochemistry, 37, 1998
1A4M
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BU of 1a4m by Molmil
ADA STRUCTURE COMPLEXED WITH PURINE RIBOSIDE AT PH 7.0
Descriptor: 6-HYDROXY-1,6-DIHYDRO PURINE NUCLEOSIDE, ADENOSINE DEAMINASE, ZINC ION
Authors:Wang, Z, Quiocho, F.A.
Deposit date:1998-01-31
Release date:1998-10-14
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Complexes of adenosine deaminase with two potent inhibitors: X-ray structures in four independent molecules at pH of maximum activity.
Biochemistry, 37, 1998
5C01
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BU of 5c01 by Molmil
Crystal Structure of kinase
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, NON-RECEPTOR TYROSINE-PROTEIN KINASE TYK2, ...
Authors:Min, X, Wang, Z, Walker, N.
Deposit date:2015-06-12
Release date:2015-09-16
Last modified:2015-11-18
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural and Functional Characterization of the JH2 Pseudokinase Domain of JAK Family Tyrosine Kinase 2 (TYK2).
J.Biol.Chem., 290, 2015
5C03
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BU of 5c03 by Molmil
Crystal Structure of kinase
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, MAGNESIUM ION, ...
Authors:Min, X, Wang, Z, Walker, N.
Deposit date:2015-06-12
Release date:2015-09-16
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and Functional Characterization of the JH2 Pseudokinase Domain of JAK Family Tyrosine Kinase 2 (TYK2).
J.Biol.Chem., 290, 2015
7SHH
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BU of 7shh by Molmil
Bacterial cereblon homologue in complex with (R)-3-(4-methoxyphenyl)piperidine-2,6-dione
Descriptor: (3R)-3-(4-methoxyphenyl)piperidine-2,6-dione, Cereblon isoform 4, ZINC ION
Authors:Nithianantham, S, Fischer, M.
Deposit date:2021-10-08
Release date:2022-04-13
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Development of Potent and Selective Janus Kinase 2/3 Directing PG-PROTACs.
Acs Med.Chem.Lett., 13, 2022
4Q1U
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BU of 4q1u by Molmil
Serum paraoxonase-1 by directed evolution with the K192Q mutation
Descriptor: BROMIDE ION, CALCIUM ION, CHLORIDE ION, ...
Authors:Ben-David, M, Sussman, J.L, Tawfik, D.S.
Deposit date:2014-04-04
Release date:2015-02-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.302 Å)
Cite:Catalytic stimulation by restrained active-site floppiness-the case of high density lipoprotein-bound serum paraoxonase-1.
J.Mol.Biol., 427, 2015
7B5K
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BU of 7b5k by Molmil
E. coli 70S containing suppressor tRNA in the A-site stabilized by a Negamycin analogue and P-site tRNA-nascent chain.
Descriptor: 16S rRNA, 2-[[[(3~{R},5~{R})-3-azanyl-6-(3-azanylpropylamino)-5-oxidanyl-hexanoyl]amino]-methyl-amino]ethanoic acid, 23S rRNA, ...
Authors:Albers, S, Beckert, B, Matthies, M, Schuster, R, Riedner, M, Seuring, C, Sanyal, S, Torda, A, Wilson, N.D, Ignatova, Z.
Deposit date:2020-12-03
Release date:2021-05-26
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Harnessing evolutionarily flexibility in tRNAs to maximize nonsense suppression activities
Nat Commun, 2021
8IF6
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BU of 8if6 by Molmil
Conformational Dynamics of the D53-D3-D14 Complex in Strigolactone Signaling
Descriptor: F-box/LRR-repeat MAX2 homolog, SKP1-like protein 20, Strigolactone esterase D14
Authors:Liu, S.M, Wang, J.
Deposit date:2023-02-17
Release date:2023-07-12
Last modified:2023-09-27
Method:ELECTRON MICROSCOPY (7.09 Å)
Cite:Conformational Dynamics of the D53-D3-D14 Complex in Strigolactone Signaling.
Plant Cell.Physiol., 64, 2023
1EIE
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BU of 1eie by Molmil
CRYSTAL STRUCTURE OF F120W MUTANT OF BOVINE PANCREATIC RIBONUCLEASE A
Descriptor: RIBONUCLEASE A
Authors:Chatani, E, Hayashi, R, Moriyama, H, Ueki, T.
Deposit date:2000-02-25
Release date:2002-02-13
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Conformational strictness required for maximum activity and stability of bovine pancreatic ribonuclease A as revealed by crystallographic study of three Phe120 mutants at 1.4 A resolution.
Protein Sci., 11, 2002
4IXC
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BU of 4ixc by Molmil
Crystal structure of Human Glucokinase in complex with a small molecule activator.
Descriptor: (2S)-2-{[1-(3-chloropyridin-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]oxy}-N-(5-methylpyridin-2-yl)-3-(propan-2-yloxy)propanamide, Glucokinase isoform 3, SODIUM ION, ...
Authors:Ogg, D.J, Hargreaves, D, Gerhardt, S.
Deposit date:2013-01-25
Release date:2013-04-24
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Matched triplicate design sets in the optimisation of glucokinase activators maximising medicinal chemistry information content
To be Published
4L7S
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BU of 4l7s by Molmil
Kinase domain mutant of human Itk in complex with an aminobenzothiazole inhibitor
Descriptor: SULFATE ION, Tyrosine-protein kinase ITK/TSK, trans-4-({4-[difluoro(4-fluorophenyl)methyl]-6-[(5-methoxy[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]pyrimidin-2-yl}amino)cyclohexanol
Authors:Somers, D.O.
Deposit date:2013-06-14
Release date:2014-01-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Identification of a Novel and Selective Series of Itk Inhibitors via a Template-Hopping Strategy.
ACS Med Chem Lett, 4, 2013
1CTI
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BU of 1cti by Molmil
DETERMINATION OF THE COMPLETE THREE-DIMENSIONAL STRUCTURE OF THE TRYPSIN INHIBITOR FROM SQUASH SEEDS IN AQUEOUS SOLUTION BY NUCLEAR MAGNETIC RESONANCE AND A COMBINATION OF DISTANCE GEOMETRY AND DYNAMICAL SIMULATED ANNEALING
Descriptor: TRYPSIN INHIBITOR
Authors:Holak, T.A, Gondol, D, Otlewski, J, Wilusz, T.
Deposit date:1990-08-28
Release date:1992-01-15
Last modified:2022-02-16
Method:SOLUTION NMR
Cite:Determination of the complete three-dimensional structure of the trypsin inhibitor from squash seeds in aqueous solution by nuclear magnetic resonance and a combination of distance geometry and dynamical simulated annealing.
J.Mol.Biol., 210, 1989

223532

数据于2024-08-07公开中

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