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6GDX
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BU of 6gdx by Molmil
Structure of CutA from Synechococcus elongatus PCC7942 complexed with 3 molecules of Bis-Tris
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Periplasmic divalent cation tolerance protein
Authors:Tremino, L, Rubio, V.
Deposit date:2018-04-24
Release date:2019-05-08
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.17 Å)
Cite:Functional and structural characterization of PII-like protein CutA does not support involvement in heavy metal tolerance and hints at a small-molecule carrying/signaling role.
Febs J., 2020
6T65
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BU of 6t65 by Molmil
Crsytal structure of Acinetobacter baumannii FabG inhibitor complex at 2.35 A resolution
Descriptor: 3-oxoacyl-(Acyl-carrier-protein) reductase, ethyl 6-bromanyl-2-[(dimethylamino)methyl]-5-oxidanyl-1-phenyl-indole-3-carboxylate
Authors:Rudraraju, R, Schnell, R, Schneider, G.
Deposit date:2019-10-17
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:A FabG inhibitor targeting an allosteric binding site inhibits several orthologs from Gram-negative ESKAPE pathogens.
Bioorg.Med.Chem., 30, 2020
6G2W
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BU of 6g2w by Molmil
Crystal structure of the p97 D2 domain in a helical split-washer conformation
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ADENOSINE-5'-DIPHOSPHATE, DIMETHYL SULFOXIDE, ...
Authors:Stach, L, Morgan, R.M.L, Freemont, P.S.
Deposit date:2018-03-23
Release date:2019-04-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.678 Å)
Cite:Crystal structure of the catalytic D2 domain of the AAA+ ATPase p97 reveals a putative helical split-washer-type mechanism for substrate unfolding.
Febs Lett., 594, 2020
6G2V
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BU of 6g2v by Molmil
Crystal structure of the p97 D2 domain in a helical split-washer conformation
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ADENOSINE-5'-DIPHOSPHATE, DIMETHYL SULFOXIDE, ...
Authors:Stach, L, Morgan, R.M.L, Freemont, P.S.
Deposit date:2018-03-23
Release date:2019-04-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.903 Å)
Cite:Crystal structure of the catalytic D2 domain of the AAA+ ATPase p97 reveals a putative helical split-washer-type mechanism for substrate unfolding.
Febs Lett., 594, 2020
6G4B
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BU of 6g4b by Molmil
Crystal structure of the omega transaminase from Pseudomonas jessenii in the apo form, crystallized from succinate
Descriptor: Aspartate aminotransferase family protein, GLYCEROL, SUCCINIC ACID
Authors:Rozeboom, H.J, Janssen, D.B.
Deposit date:2018-03-27
Release date:2019-04-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Biochemical properties of a Pseudomonas aminotransferase involved in caprolactam metabolism.
Febs J., 286, 2019
4XR5
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BU of 4xr5 by Molmil
X-ray structure of the unliganded thymidine phosphorylase from Salmonella typhimurium at 2.05 A resolution
Descriptor: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, TRIETHYLENE GLYCOL, ...
Authors:Balaev, V.V, Lashkov, A.A, Gabdulkhakov, A.G, Betzel, C, Mikhailov, A.M.
Deposit date:2015-01-20
Release date:2016-01-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural investigation of the thymidine phosphorylase from Salmonella typhimurium in the unliganded state and its complexes with thymidine and uridine.
Acta Crystallogr.,Sect.F, 72, 2016
6T6P
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BU of 6t6p by Molmil
Crystal structure of Klebsiella pneumoniae FabG2(NADH-dependent) at 1.57 A resolution
Descriptor: 3-oxoacyl-[acyl-carrier protein] reductase, GLYCEROL, PHOSPHATE ION
Authors:Vella, P, Schnell, R, Lindqvist, Y, Schneider, G.
Deposit date:2019-10-18
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:A FabG inhibitor targeting an allosteric binding site inhibits several orthologs from Gram-negative ESKAPE pathogens.
Bioorg.Med.Chem., 30, 2021
6T7M
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BU of 6t7m by Molmil
Crystal structure of Salmonella typhimurium FabG at 2.65 A resolution
Descriptor: 3-oxoacyl-[acyl-carrier-protein] reductase FabG
Authors:Vella, P, Schnell, R, Schneider, G.
Deposit date:2019-10-22
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:A FabG inhibitor targeting an allosteric binding site inhibits several orthologs from Gram-negative ESKAPE pathogens.
Bioorg.Med.Chem., 30, 2021
6G2Y
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BU of 6g2y by Molmil
Crystal structure of the p97 D2 domain in a helical split-washer conformation
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ADENOSINE-5'-DIPHOSPHATE, DIMETHYL SULFOXIDE, ...
Authors:Stach, L, Morgan, R.M.L, Freemont, P.S.
Deposit date:2018-03-23
Release date:2019-04-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.153 Å)
Cite:Crystal structure of the catalytic D2 domain of the AAA+ ATPase p97 reveals a putative helical split-washer-type mechanism for substrate unfolding.
Febs Lett., 594, 2020
6G4D
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BU of 6g4d by Molmil
Crystal structure of the omega TRANSAMINASE FROM PSEUDOMONAS Jessenii in complex with PLP
Descriptor: Aspartate aminotransferase family protein, GLYCEROL, PYRIDOXAL-5'-PHOSPHATE
Authors:Rozeboom, H.J, Janssen, D.B.
Deposit date:2018-03-27
Release date:2019-04-10
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Biochemical properties of a Pseudomonas aminotransferase involved in caprolactam metabolism.
Febs J., 286, 2019
6G2Z
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BU of 6g2z by Molmil
Crystal structure of the p97 D2 domain in a helical split-washer conformation
Descriptor: (3-phenyl-1,2-oxazol-5-yl)methylazanium, (4S)-2-METHYL-2,4-PENTANEDIOL, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Stach, L, Morgan, R.M.L, Freemont, P.S.
Deposit date:2018-03-23
Release date:2019-04-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.923 Å)
Cite:Crystal structure of the catalytic D2 domain of the AAA+ ATPase p97 reveals a putative helical split-washer-type mechanism for substrate unfolding.
Febs Lett., 594, 2020
6G4E
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BU of 6g4e by Molmil
Crystal structure of the omega TRANSAMINASE FROM PSEUDOMONAS Jessenii in complex with PLP and 6-aminohexanoate (6-ACA)
Descriptor: 6-AMINOHEXANOIC ACID, Aspartate aminotransferase family protein, GLYCEROL, ...
Authors:Rozeboom, H.J, Janssen, D.B.
Deposit date:2018-03-27
Release date:2019-04-10
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Biochemical properties of a Pseudomonas aminotransferase involved in caprolactam metabolism.
Febs J., 286, 2019
6GDU
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BU of 6gdu by Molmil
Structure of CutA from Synechococcus elongatus PCC7942
Descriptor: Periplasmic divalent cation tolerance protein
Authors:Tremino, L, Rubio, V.
Deposit date:2018-04-24
Release date:2019-05-08
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Functional and structural characterization of PII-like protein CutA does not support involvement in heavy metal tolerance and hints at a small-molecule carrying/signaling role.
Febs J., 2020
6T77
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BU of 6t77 by Molmil
Crystal structure of Klebsiella pneumoniae FabG(NADPH-dependent) NADP-complex at 1.75 A resolution
Descriptor: 3-oxoacyl-ACP reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Vella, P, Schnell, R, Lindqvist, Y, Schneider, G.
Deposit date:2019-10-21
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:A FabG inhibitor targeting an allosteric binding site inhibits several orthologs from Gram-negative ESKAPE pathogens.
Bioorg.Med.Chem., 30, 2021
4YEO
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BU of 4yeo by Molmil
Triclinic HEWL co-crystallised with cisplatin, studied at a data collection temperature of 150K - new refinement
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Cisplatin, ...
Authors:Shabalin, I.G, Dauter, Z, Jaskolski, M, Minor, W, Wlodawer, A.
Deposit date:2015-02-24
Release date:2015-03-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:Crystallography and chemistry should always go together: a cautionary tale of protein complexes with cisplatin and carboplatin.
Acta Crystallogr.,Sect.D, 71, 2015
6GG1
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BU of 6gg1 by Molmil
Structure of PROSS-edited human interleukin 24
Descriptor: Interleukin-24, NICKEL (II) ION, SULFATE ION
Authors:Kolenko, P, Zahradnik, J, Kolarova, L, Schneider, B.
Deposit date:2018-05-02
Release date:2019-05-15
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Flexible regions govern promiscuous binding of IL-24 to receptors IL-20R1 and IL-22R1.
Febs J., 286, 2019
6DSQ
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BU of 6dsq by Molmil
Re-refinement of P. falciparum orotidine 5'-monophosphate decarboxylase
Descriptor: Orotidine 5'-monophosphate decarboxylase
Authors:Brandt, G.S, Novak, W.R.P.
Deposit date:2018-06-14
Release date:2018-10-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Re-refinement of Plasmodium falciparum orotidine 5'-monophosphate decarboxylase provides a clearer picture of an important malarial drug target.
Acta Crystallogr F Struct Biol Commun, 74, 2018
6DSS
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BU of 6dss by Molmil
Re-refinement of P. falciparum orotidine 5'-monophosphate decarboxylase
Descriptor: Orotidine 5'-monophosphate decarboxylase, URIDINE-5'-MONOPHOSPHATE
Authors:Brandt, G.S, Novak, W.R.P.
Deposit date:2018-06-14
Release date:2018-10-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.599 Å)
Cite:Re-refinement of Plasmodium falciparum orotidine 5'-monophosphate decarboxylase provides a clearer picture of an important malarial drug target.
Acta Crystallogr F Struct Biol Commun, 74, 2018
6TV9
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BU of 6tv9 by Molmil
Heme d1 biosynthesis associated Protein NirF in complex with dihydro-heme d1
Descriptor: HEME D, Protein NirF,Protein NirF
Authors:Kluenemann, T, Layer, G, Blankenfeldt, W.
Deposit date:2020-01-09
Release date:2020-04-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.893 Å)
Cite:Crystal structure of NirF: insights into its role in heme d 1 biosynthesis.
Febs J., 288, 2021
6H2Z
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BU of 6h2z by Molmil
The crystal structure of human carbonic anhydrase II in complex with 4-(4-phenylpiperidine-1-carbonyl)benzenesulfonamide.
Descriptor: 4-(4-phenylpiperidin-1-yl)carbonylbenzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Buemi, M.R, Di Fiore, A, De Luca, L, Ferro, S, Mancuso, F, Monti, S.M, Buonanno, M, Angeli, A, Russo, E, De Sarro, G, Supuran, C.T, De Simone, G, Gitto, R.
Deposit date:2018-07-17
Release date:2018-12-19
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Exploring structural properties of potent human carbonic anhydrase inhibitors bearing a 4-(cycloalkylamino-1-carbonyl)benzenesulfonamide moiety.
Eur J Med Chem, 163, 2018
6H33
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BU of 6h33 by Molmil
The crystal structure of human carbonic anhydrase II in complex with 4-(4-phenyl)-4-hydroxy-1-piperidine-1-carbonyl)benzenesulfonamide.
Descriptor: 4-(4-oxidanyl-4-phenyl-piperidin-1-yl)carbonylbenzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Buemi, M.R, Di Fiore, A, De Luca, L, Ferro, S, Mancuso, F, Monti, S.M, Buonanno, M, Angeli, A, Russo, E, De Sarro, G, Supuran, C.T, De Simone, G, Gitto, R.
Deposit date:2018-07-17
Release date:2018-12-19
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Exploring structural properties of potent human carbonic anhydrase inhibitors bearing a 4-(cycloalkylamino-1-carbonyl)benzenesulfonamide moiety.
Eur J Med Chem, 163, 2018
6DSR
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BU of 6dsr by Molmil
Re-refinement of P. falciparum orotidine 5'-monophosphate decarboxylase
Descriptor: Orotidine 5'-monophosphate decarboxylase, URIDINE-5'-MONOPHOSPHATE
Authors:Brandt, G.S, Novak, W.R.P.
Deposit date:2018-06-14
Release date:2018-10-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.597 Å)
Cite:Re-refinement of Plasmodium falciparum orotidine 5'-monophosphate decarboxylase provides a clearer picture of an important malarial drug target.
Acta Crystallogr F Struct Biol Commun, 74, 2018
6TZD
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BU of 6tzd by Molmil
Crystal Structure of Ketosteroid Isomerase from Pseudomonas Putida (pKSI) bound to 4-Androstenedione at 280 K
Descriptor: 4-ANDROSTENE-3-17-DIONE, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Yabukarski, F, Herschlag, D.
Deposit date:2019-08-12
Release date:2020-08-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.4507 Å)
Cite:Assessment of enzyme active site positioning and tests of catalytic mechanisms through X-ray-derived conformational ensembles.
Proc.Natl.Acad.Sci.USA, 117, 2020
6H37
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BU of 6h37 by Molmil
The crystal structure of human carbonic anhydrase VII in complex with 4-(4-phenyl)-4-hydroxy-1-piperidine-1-carbonyl)benzenesulfonamide
Descriptor: 4-(4-oxidanyl-4-phenyl-piperidin-1-yl)carbonylbenzenesulfonamide, Carbonic anhydrase 7, ZINC ION
Authors:Buemi, M.R, Di Fiore, A, De Luca, L, Ferro, S, Mancuso, F, Monti, S.M, Buonanno, M, Angeli, A, Russo, E, De Sarro, G, Supuran, C.T, De Simone, G, Gitto, R.
Deposit date:2018-07-17
Release date:2018-12-19
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Exploring structural properties of potent human carbonic anhydrase inhibitors bearing a 4-(cycloalkylamino-1-carbonyl)benzenesulfonamide moiety.
Eur J Med Chem, 163, 2018
6U4I
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BU of 6u4i by Molmil
Crystal Structure of Ketosteroid Isomerase from Pseudomonas Putida (pKSI) bound to Equilenin at 280 K
Descriptor: CHLORIDE ION, EQUILENIN, MAGNESIUM ION, ...
Authors:Yabukarski, F, Herschlag, D.
Deposit date:2019-08-25
Release date:2020-09-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Assessment of enzyme active site positioning and tests of catalytic mechanisms through X-ray-derived conformational ensembles.
Proc.Natl.Acad.Sci.USA, 117, 2020

223532

數據於2024-08-07公開中

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