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5UNT
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BU of 5unt by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with 4-Methyl-7-[(3-((methylamino)methyl)phenoxy)methyl]quinolin-2-amine
Descriptor: 4-methyl-7-({3-[(methylamino)methyl]phenoxy}methyl)quinolin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2017-01-31
Release date:2017-05-03
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Nitrile in the Hole: Discovery of a Small Auxiliary Pocket in Neuronal Nitric Oxide Synthase Leading to the Development of Potent and Selective 2-Aminoquinoline Inhibitors.
J. Med. Chem., 60, 2017
7YYF
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BU of 7yyf by Molmil
Orthorombic crystal structure of YTHDF1 YTH domain (G459N mutant) form II
Descriptor: YTH domain-containing family protein 1
Authors:Dalle Vedove, A, Cazzanelli, G, Lolli, G.
Deposit date:2022-02-17
Release date:2023-03-01
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Pliability in the m 6 A-Binding Region Extends Druggability of YTH Domains.
J.Chem.Inf.Model., 2024
7VN4
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BU of 7vn4 by Molmil
Crystal structure of MBP-fused BIL1/BZR1 (21-90) in complex with double-stranded DNA contaning TCCACGTGGA
Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*TP*TP*TP*CP*CP*AP*CP*GP*TP*GP*AP*AP*AP*AP*A)-3'), Maltodextrin-binding protein,Protein BRASSINAZOLE-RESISTANT 1, ...
Authors:Nosaki, S, Tanokura, M, Miyakawa, T.
Deposit date:2021-10-10
Release date:2022-12-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Brassinosteroid-induced gene repression requires specific and tight promoter binding of BIL1/BZR1 via DNA shape readout.
Nat.Plants, 8, 2022
6MS1
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BU of 6ms1 by Molmil
Crystal structure of the human Scribble PDZ1 domain bound to the PDZ-binding motif of APC
Descriptor: 1,2-ETHANEDIOL, APC C-terminus peptide, Protein scribble homolog
Authors:How, J.Y, Kvansakul, M, Caria, S, Humbert, P.O.
Deposit date:2018-10-16
Release date:2019-02-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Crystal structure of the human Scribble PDZ1 domain bound to the PDZ-binding motif of APC.
FEBS Lett., 593, 2019
5HMD
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BU of 5hmd by Molmil
Crystal structure of triazine hydrolase variant (Y215H/E241Q)
Descriptor: Triazine hydrolase, ZINC ION
Authors:Sugrue, E, Carr, P.D, Jackson, C.J.
Deposit date:2016-01-16
Release date:2016-11-02
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Active Site Desolvation and Thermostability Trade-Offs in the Evolution of Catalytically Diverse Triazine Hydrolases.
Biochemistry, 55, 2016
7PGO
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BU of 7pgo by Molmil
Crystal Structure of a Class D Carbapenemase_R250A
Descriptor: 1-BUTANOL, BROMIDE ION, Beta-lactamase
Authors:Zhou, Q, He, Y, Jin, Y.
Deposit date:2021-08-15
Release date:2022-08-24
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:An Ion-Pair Induced Intermediate Complex Captured in Class D Carbapenemase Reveals Chloride Ion as a Janus Effector Modulating Activity
Acs Cent.Sci., 2023
6N0S
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BU of 6n0s by Molmil
N-terminal domain of Staphylothermus marinus McrB
Descriptor: ATPase associated with various cellular activities, AAA_5, SULFATE ION
Authors:Hosford, C.J, Niu, Y, Chappie, J.S.
Deposit date:2018-11-07
Release date:2019-11-13
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:The N-terminal domain of Staphylothermus marinus McrB shares structural homology with PUA-like RNA binding proteins.
J.Struct.Biol., 211, 2020
7VN2
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BU of 7vn2 by Molmil
Crystal structure of MBP-fused BIL1/BZR1 (21-90) in complex with double-stranded DNA contaning ATCACGTGAT
Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*TP*TP*AP*TP*CP*AP*CP*GP*TP*GP*AP*TP*AP*AP*A)-3'), Maltodextrin-binding protein,Protein BRASSINAZOLE-RESISTANT 1, ...
Authors:Nosaki, S, Tanokura, M, Miyakawa, T.
Deposit date:2021-10-10
Release date:2022-12-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Brassinosteroid-induced gene repression requires specific and tight promoter binding of BIL1/BZR1 via DNA shape readout.
Nat.Plants, 8, 2022
5UO6
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BU of 5uo6 by Molmil
Structure of human neuronal nitric oxide synthase heme domain in complex with (R)-3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-(2-(methylamino)propyl)benzonitrile
Descriptor: 3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-[(2R)-2-(methylamino)propyl]benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, GLYCEROL, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2017-01-31
Release date:2017-05-03
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Nitrile in the Hole: Discovery of a Small Auxiliary Pocket in Neuronal Nitric Oxide Synthase Leading to the Development of Potent and Selective 2-Aminoquinoline Inhibitors.
J. Med. Chem., 60, 2017
6MS8
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BU of 6ms8 by Molmil
Crystal Structure of Chalcone Isomerase from Medicago Truncatula Complexed with (2S) Naringenin
Descriptor: Chalcone-flavonone isomerase family protein, NARINGENIN
Authors:Burke, J.R, La Clair, J.J, Philippe, R.N, Pabis, A, Jez, J.M, Cortina, G, Kaltenbach, M, Bowman, M.E, Woods, K.B, Nelson, A.T, Tawfik, D.S, Kamerlin, S.C.L, Noel, J.P.
Deposit date:2018-10-16
Release date:2019-08-21
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Bifunctional Substrate Activation via an Arginine Residue Drives Catalysis in Chalcone Isomerases
Acs Catalysis, 2019
7Z4X
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BU of 7z4x by Molmil
Crystal structure of Variovorax paradoxus indole monooxygenase (VpIndA1) in complex with FAD
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Putative dehydrogenase/oxygenase subunit (Flavoprotein)
Authors:Kratky, J, Weisse, R, Strater, N.
Deposit date:2022-03-06
Release date:2023-02-22
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural and Mechanistic Studies on Substrate and Stereoselectivity of the Indole Monooxygenase VpIndA1: New Avenues for Biocatalytic Epoxidations and Sulfoxidations.
Angew.Chem.Int.Ed.Engl., 62, 2023
5H62
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BU of 5h62 by Molmil
Structure of Transferase mutant-C23S,C199S
Descriptor: 1,2-ETHANEDIOL, MANGANESE (II) ION, Transferase, ...
Authors:Park, J.B, Yoo, Y, Kim, J.
Deposit date:2016-11-10
Release date:2017-12-27
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Structural basis for arginine glycosylation of host substrates by bacterial effector proteins.
Nat Commun, 9, 2018
8WBT
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BU of 8wbt by Molmil
Crystal structure of cis-Epoxysuccinate Hydrolases KlCESH[L] mutant D48N complexed with L-TA
Descriptor: (S)-2-haloacid dehalogenase, CALCIUM ION, GLYCEROL, ...
Authors:Dong, S, Xuan, J.S, Feng, Y.G, Cui, Q.
Deposit date:2023-09-10
Release date:2024-01-31
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Deciphering the stereo-specific catalytic mechanisms of cis-epoxysuccinate hydrolases producing L(+)-tartaric acid.
J.Biol.Chem., 300, 2024
7NFQ
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BU of 7nfq by Molmil
Fujian capmidlink domain in complex with Nb8193
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, Nb8193, ...
Authors:Keown, J.R, Grimes, J.M, Fodor, E.
Deposit date:2021-02-07
Release date:2021-12-01
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Mapping inhibitory sites on the RNA polymerase of the 1918 pandemic influenza virus using nanobodies.
Nat Commun, 13, 2022
7PIZ
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BU of 7piz by Molmil
The structure of phosphoglucomutase from Candida albicans
Descriptor: Phosphoglucomutase, SULFATE ION
Authors:Yan, K, van Aalten, D.M.F.
Deposit date:2021-08-23
Release date:2022-09-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Targeting an essential step in the biosynthetic pathway of uridine diphosphate glucose in Aspergillus fumigatus
To Be Published
8OWQ
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BU of 8owq by Molmil
Crystal structure of Mycobacterium smegmatis CoaB in complex with CTP and 2-(1-(3,4-dihydroxyphenyl)-5-phenyl-1H-indol-3-yl)-2-oxoacetic acid
Descriptor: 2-[1-[3,4-bis(oxidanyl)phenyl]-5-phenyl-indol-3-yl]-2-oxidanylidene-ethanoic acid, CALCIUM ION, CYTIDINE-5'-TRIPHOSPHATE, ...
Authors:Mendes, V, Blundell, T.L.
Deposit date:2023-04-28
Release date:2024-05-08
Method:X-RAY DIFFRACTION (2.106 Å)
Cite:Development of new inhibitors against M. tuberculosis CoaBC using a fragment based approach.
To Be Published
7NIZ
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BU of 7niz by Molmil
Human 14-3-3 sigma in complex with human Estrogen Receptor alpha peptide and ligands Fusicoccin-A and WR-1065
Descriptor: 14-3-3 protein sigma, Estrogen receptor, FUSICOCCIN, ...
Authors:Roversi, P, Falcicchio, M, Doveston, R.
Deposit date:2021-02-14
Release date:2021-12-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Cooperative stabilisation of 14-3-3 sigma protein-protein interactions via covalent protein modification.
Chem Sci, 12, 2021
5HMQ
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BU of 5hmq by Molmil
xylose isomerase-like TIM barrel/4-hydroxyphenylpyruvate dioxygenase fusion protein
Descriptor: 4-hydroxyphenylpyruvate dioxygenase, MAGNESIUM ION
Authors:Peek, J, Christendat, D.
Deposit date:2016-01-16
Release date:2016-10-19
Last modified:2020-01-08
Method:X-RAY DIFFRACTION (2.371 Å)
Cite:Structure of a putative xylose isomerase-like TIM barrel/4-hydroxyphenylpyruvate dioxygenase fusion protein from Pseudomonas putida at 2.4 Angstroms resolution.
To Be Published
5UQ9
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BU of 5uq9 by Molmil
Crystal structure of 6-phosphogluconate dehydrogenase with ((4R,5R)-5-(hydroxycarbamoyl)-2,2-dimethyl-1,3-dioxolan-4-yl)methyl dihydrogen phosphate
Descriptor: 6-phosphogluconate dehydrogenase, decarboxylating, [(4R,5R)-5-(hydroxycarbamoyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl dihydrogen phosphate
Authors:Leonard, P.G.
Deposit date:2017-02-07
Release date:2018-08-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3 Å)
Cite:Functional Genomics Reveals Synthetic Lethality between Phosphogluconate Dehydrogenase and Oxidative Phosphorylation.
Cell Rep, 26, 2019
8VR1
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BU of 8vr1 by Molmil
Crystal Structure of Betaine aldehyde dehydrogenase (BetB) from Klebsiella aerogenes (CTP bound)
Descriptor: Betaine aldehyde dehydrogenase, CYTIDINE-5'-TRIPHOSPHATE, PHOSPHATE ION
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2024-01-19
Release date:2024-01-31
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal Structure of Betaine aldehyde dehydrogenase (BetB) from Klebsiella aerogenes (CTP bound)
To be published
5DS4
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BU of 5ds4 by Molmil
Crystal structure the Escherichia coli Cas1-Cas2 complex bound to protospacer DNA
Descriptor: CRISPR-associated endonuclease Cas1, CRISPR-associated endoribonuclease Cas2, DNA (28-MER)
Authors:Nunez, J.K, Harrington, L.B, Kranzusch, P.J, Engelman, A.N, Doudna, J.A.
Deposit date:2015-09-16
Release date:2015-10-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Foreign DNA capture during CRISPR-Cas adaptive immunity.
Nature, 527, 2015
5HOW
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BU of 5how by Molmil
X-ray crystallographic structure of an Abeta 17-36 beta-hairpin. LV(PHI)FAEDCGSNKCAII(SAR)L(ORN)V
Descriptor: Amyloid beta A4 protein
Authors:Kreutzer, A.G, Nowick, J.S, Spencer, R.K.
Deposit date:2016-01-19
Release date:2016-03-23
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (2.295 Å)
Cite:X-ray Crystallographic Structures of a Trimer, Dodecamer, and Annular Pore Formed by an A beta 17-36 beta-Hairpin.
J.Am.Chem.Soc., 138, 2016
8WBR
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BU of 8wbr by Molmil
Crystal structure of cis-Epoxysuccinate Hydrolases KlCESH[L]
Descriptor: (S)-2-haloacid dehalogenase, CALCIUM ION
Authors:Dong, S, Xuan, J.S, Feng, Y.G, Cui, Q.
Deposit date:2023-09-10
Release date:2024-01-31
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Deciphering the stereo-specific catalytic mechanisms of cis-epoxysuccinate hydrolases producing L(+)-tartaric acid.
J.Biol.Chem., 300, 2024
7Z98
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BU of 7z98 by Molmil
Crystal structure of F191M variant Variovorax paradoxus indole monooxygenase (VpIndA1) in complex with methyl phenyl sulfide
Descriptor: (methylsulfanyl)benzene, 1,2-ETHANEDIOL, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Kratky, J, Weisse, R, Strater, N.
Deposit date:2022-03-20
Release date:2023-02-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Structural and Mechanistic Studies on Substrate and Stereoselectivity of the Indole Monooxygenase VpIndA1: New Avenues for Biocatalytic Epoxidations and Sulfoxidations.
Angew.Chem.Int.Ed.Engl., 62, 2023
5URU
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BU of 5uru by Molmil
Insulin with proline analog DhP at position B28 in the R6 state
Descriptor: CHLORIDE ION, Insulin Chain A, Insulin Chain B, ...
Authors:Lieblich, S.A, Fang, K.Y, Tirrell, D.A.
Deposit date:2017-02-13
Release date:2018-02-21
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Insulin with proline analog DhP at position B28 in the R6 state
To Be Published

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數據於2024-10-30公開中

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