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6R9D
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BU of 6r9d by Molmil
Crystal structure of an asymmetric dimer of the N-terminal domain of Euprosthenops australis Major Ampullate Spidroin 1 (dragline silk)
Descriptor: Major ampullate spidroin 1, SULFATE ION
Authors:Knight, S.D, Jiang, W, Askarieh, G.
Deposit date:2019-04-03
Release date:2019-07-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of the N-terminal domain of Euprosthenops australis dragline silk suggests that conversion of spidroin dope to spider silk involves a conserved asymmetric dimer intermediate.
Acta Crystallogr D Struct Biol, 75, 2019
6RC9
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BU of 6rc9 by Molmil
P1 Mycoplasma pneumoniae
Descriptor: Adhesin P1
Authors:Vizarraga, D, Aparicio, D, Illanes, R, Fita, I.
Deposit date:2019-04-11
Release date:2020-11-04
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Immunodominant proteins P1 and P40/P90 from human pathogen Mycoplasma pneumoniae.
Nat Commun, 11, 2020
6RBP
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BU of 6rbp by Molmil
Crystal structure of NAD kinase 1 from Listeria monocytogenes in complexe with an adenine derivative
Descriptor: 9-(4-azidobutyl)purin-6-amine, CITRIC ACID, NAD kinase 1
Authors:Gelin, M, Labesse, G.
Deposit date:2019-04-11
Release date:2020-02-19
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.473 Å)
Cite:From Substrate to Fragments to Inhibitor ActiveIn VivoagainstStaphylococcus aureus.
Acs Infect Dis., 6, 2020
6RBY
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BU of 6rby by Molmil
Crystal structure of NAD kinase 1 from Listeria monocytogenes in complexe with an adenine derivative
Descriptor: 4-(6-azanyl-8-bromanyl-purin-9-yl)butan-1-ol, CITRIC ACID, NAD kinase 1
Authors:Gelin, M, Labesse, G.
Deposit date:2019-04-11
Release date:2020-02-19
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.312 Å)
Cite:From Substrate to Fragments to Inhibitor ActiveIn VivoagainstStaphylococcus aureus.
Acs Infect Dis., 6, 2020
6REL
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BU of 6rel by Molmil
Crystal structure of Pizza6-SH with CdCl2 nanocrystal
Descriptor: CADMIUM ION, CHLORIDE ION, Pizza6-SH
Authors:Noguchi, H, Clarke, D.E, Gryspeerdt, J.L, Feyter, S.D, Voet, A.R.D.
Deposit date:2019-04-12
Release date:2020-05-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.08 Å)
Cite:Artificial beta-Propeller Protein-based Hydrolases
To Be Published
6R36
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BU of 6r36 by Molmil
T. brucei farnesyl pyrophosphate synthase (FPPS)
Descriptor: DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, Farnesyl pyrophosphate synthase
Authors:Muenzker, L, Petrick, J.K, Schleberger, C, Jahnke, W.
Deposit date:2019-03-19
Release date:2020-04-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Fragment-Based Discovery of Non-bisphosphonate Binders of Trypanosoma brucei Farnesyl Pyrophosphate Synthase.
Chembiochem, 21, 2020
6R4B
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BU of 6r4b by Molmil
Aurora-A in complex with shape-diverse fragment 56
Descriptor: (6~{S})-6-[2,4-bis(fluoranyl)phenyl]-~{N},~{N},4-trimethyl-2-oxidanylidene-5,6-dihydro-1~{H}-pyrimidine-5-carboxamide, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ...
Authors:Bayliss, R, McIntyre, P.J.
Deposit date:2019-03-22
Release date:2019-05-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Construction of a Shape-Diverse Fragment Set: Design, Synthesis and Screen against Aurora-A Kinase.
Chemistry, 25, 2019
6R5O
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BU of 6r5o by Molmil
The crystal structure the Glycoside Hydrolase BglX inactive mutant D286N from P. aeruginosa in complex with two glucose molecules
Descriptor: MAGNESIUM ION, Periplasmic beta-glucosidase, beta-D-glucopyranose
Authors:Batuecas, M.T, Hermoso, J.A.
Deposit date:2019-03-25
Release date:2020-04-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Catalytic Cycle of Glycoside Hydrolase BglX fromPseudomonas aeruginosaand Its Implications for Biofilm Formation.
Acs Chem.Biol., 15, 2020
6R62
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BU of 6r62 by Molmil
Crystal structure of a class II pyruvate aldolase from Sphingomonas wittichii RW1 in complex with hydroxypyruvate
Descriptor: 3-HYDROXYPYRUVIC ACID, ACETATE ION, BROMIDE ION, ...
Authors:Marsden, S.R, Mestrom, L, Hagedoorn, P.L, Bento, I, McMillan, D.G.G, Hanefeld, U.
Deposit date:2019-03-26
Release date:2019-05-29
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:CH-Pi Interactions Promote the Conversion of Hydroxypyruvate in a Class II Pyruvate Aldolase
Adv.Synth.Catal., 2019
6RB7
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BU of 6rb7 by Molmil
Ruminococcus gnavus sialic acid aldolase catalytic lysine mutant
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BICINE, DI(HYDROXYETHYL)ETHER, ...
Authors:Owen, C.D, Bell, A, Juge, N, Walsh, M.A.
Deposit date:2019-04-09
Release date:2019-09-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Elucidation of a sialic acid metabolism pathway in mucus-foraging Ruminococcus gnavus unravels mechanisms of bacterial adaptation to the gut.
Nat Microbiol, 4, 2019
6RBO
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BU of 6rbo by Molmil
Crystal structure of NAD kinase 1 from Listeria monocytogenes in complexe with an adenine derivative
Descriptor: 9-hex-5-ynylpurin-6-amine, CITRIC ACID, NAD kinase 1
Authors:Gelin, M, Labesse, G.
Deposit date:2019-04-11
Release date:2020-02-19
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.941 Å)
Cite:From Substrate to Fragments to Inhibitor ActiveIn VivoagainstStaphylococcus aureus.
Acs Infect Dis., 6, 2020
6RBV
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BU of 6rbv by Molmil
Crystal structure of NAD kinase 1 from Listeria monocytogenes in complexe with an adenine derivative
Descriptor: 9-(3-azidopropyl)-8-bromanyl-purin-6-amine, CITRIC ACID, NAD kinase 1
Authors:Gelin, M, Labesse, G.
Deposit date:2019-04-11
Release date:2020-02-19
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:From Substrate to Fragments to Inhibitor ActiveIn VivoagainstStaphylococcus aureus.
Acs Infect Dis., 6, 2020
6RC5
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BU of 6rc5 by Molmil
Crystal structure of NAD kinase 1 from Listeria monocytogenes in complexe with an adenine derivative
Descriptor: 9-ethyl-8-ethynyl-purin-6-amine, CITRIC ACID, NAD kinase 1
Authors:Gelin, M, Labesse, G.
Deposit date:2019-04-11
Release date:2020-02-19
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.038 Å)
Cite:From Substrate to Fragments to Inhibitor ActiveIn VivoagainstStaphylococcus aureus.
Acs Infect Dis., 6, 2020
6RCC
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BU of 6rcc by Molmil
Domain C P140 Mycoplasma genitalium
Descriptor: Adhesin P1, CHLORIDE ION, SODIUM ION
Authors:Vizarraga, D, Aparicio, D, Perez, R, Illanes, R, Fita, I.
Deposit date:2019-04-11
Release date:2020-11-04
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Alternative conformation of the C-domain of the P140 protein from Mycoplasma genitalium.
Acta Crystallogr.,Sect.F, 76, 2020
6R45
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BU of 6r45 by Molmil
Crystal structure of eukaryotic O-GlcNAcase HAT-like domain
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, O-GlcNAcase
Authors:Raimi, O.G, Gorelik, A, Hopkins-Navratilova, I, Aristotelous, T, Ferenbach, A, vanAalten, D.
Deposit date:2019-03-21
Release date:2020-04-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.784 Å)
Cite:Crystal structure of eukaryotic O-GlcNAcase HAT-like domain
To Be Published
6R5I
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BU of 6r5i by Molmil
The crystal structure of the Glycoside Hydrolase BglX from P. aeruginosa
Descriptor: MAGNESIUM ION, Periplasmic beta-glucosidase, SULFATE ION
Authors:Batuecas, M.T, Hermoso, J.A.
Deposit date:2019-03-25
Release date:2020-04-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Catalytic Cycle of Glycoside Hydrolase BglX fromPseudomonas aeruginosaand Its Implications for Biofilm Formation.
Acs Chem.Biol., 15, 2020
6R7P
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BU of 6r7p by Molmil
Crystal structure of oxidized Aquifex aeolicus NADH-quinone oxidoreductase subunits NuoE and NuoF S96M
Descriptor: CHLORIDE ION, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ...
Authors:Wohlwend, D, Gnandt, E, Friedrich, T.
Deposit date:2019-03-29
Release date:2019-06-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.22 Å)
Cite:A mechanism to prevent production of reactive oxygen species by Escherichia coli respiratory complex I.
Nat Commun, 10, 2019
6REN
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BU of 6ren by Molmil
Crystal structure of 3fPizza6-SH with Zn2+
Descriptor: 3fPizza6-SH, GLYCEROL, ISOPROPYL ALCOHOL, ...
Authors:Noguchi, H, Clarke, D.E, Gryspeerdt, J.L, Feyter, S.D, Voet, A.R.D.
Deposit date:2019-04-12
Release date:2019-07-31
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Artificial beta-propeller protein-based hydrolases.
Chem.Commun.(Camb.), 55, 2019
6R39
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BU of 6r39 by Molmil
T. brucei FPPS in complex with 1-(carboxymethyl)-1H-benzo[g]indole-2-carboxylic acid
Descriptor: 1-(carboxymethyl)-1H-benzo[g]indole-2-carboxylic acid, Farnesyl pyrophosphate synthase
Authors:Muenzker, L, Petrick, J.K, Schleberger, C, Jahnke, W.
Deposit date:2019-03-19
Release date:2020-04-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Targeting farnesyl pyrophosphate synthase of Trypanosoma cruzi by fragment-based lead discovery
Thesis, 2019
6R49
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BU of 6r49 by Molmil
Aurora-A in complex with shape-diverse fragment 39
Descriptor: (1~{S},10~{S})-12-cyclopropyl-1-oxidanyl-10-propan-2-yl-9,12-diazatricyclo[8.2.1.0^{2,7}]trideca-2(7),3,5-trien-11-one, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ...
Authors:Bayliss, R, McIntyre, P.J.
Deposit date:2019-03-22
Release date:2019-05-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.209 Å)
Cite:Construction of a Shape-Diverse Fragment Set: Design, Synthesis and Screen against Aurora-A Kinase.
Chemistry, 25, 2019
6RA7
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BU of 6ra7 by Molmil
Human tnik in complex with compound 9
Descriptor: 1,2-ETHANEDIOL, 2-[8-azanyl-2-(2-fluoranylpyridin-4-yl)-1,7-naphthyridin-5-yl]propan-2-ol, MAGNESIUM ION, ...
Authors:Read, J.A.
Deposit date:2019-04-05
Release date:2019-11-06
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Tool inhibitors and assays to interrogate the biology of the TRAF2 and NCK interacting kinase
To Be Published
6RBR
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BU of 6rbr by Molmil
Crystal structure of NAD kinase 1 from Listeria monocytogenes in complexe with an adenine derivative
Descriptor: 8-bromanyl-9-ethyl-purin-6-amine, CITRIC ACID, NAD kinase 1
Authors:Gelin, M, Labesse, G.
Deposit date:2019-04-11
Release date:2020-02-19
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:From Substrate to Fragments to Inhibitor ActiveIn VivoagainstStaphylococcus aureus.
Acs Infect Dis., 6, 2020
6RC2
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BU of 6rc2 by Molmil
Crystal structure of NAD kinase 1 from Listeria monocytogenes in complexe with an adenine derivative
Descriptor: 8-methyl-9-pent-4-ynyl-purin-6-amine, CITRIC ACID, NAD kinase 1
Authors:Gelin, M, Labesse, G.
Deposit date:2019-04-11
Release date:2020-02-19
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.048 Å)
Cite:From Substrate to Fragments to Inhibitor ActiveIn VivoagainstStaphylococcus aureus.
Acs Infect Dis., 6, 2020
6RCD
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BU of 6rcd by Molmil
Octamer C-Domain P140 Mycoplasma genitalium.
Descriptor: MgPa adhesin
Authors:Vizarraga, D, Aparicio, D, Perez, R, Illanes, R, Fita, I.
Deposit date:2019-04-11
Release date:2020-11-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Alternative conformation of the C-domain of the P140 protein from Mycoplasma genitalium.
Acta Crystallogr.,Sect.F, 76, 2020
6RD3
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BU of 6rd3 by Molmil
Crystal structure of the wild type OmpK36 from Klebsiella pneumonia
Descriptor: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, MAGNESIUM ION, OmpK36
Authors:Beis, K, Romano, M, Kwong, J.
Deposit date:2019-04-12
Release date:2019-09-11
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:OmpK36-mediated Carbapenem resistance attenuates ST258 Klebsiella pneumoniae in vivo.
Nat Commun, 10, 2019

222624

数据于2024-07-17公开中

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