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5ANZ
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BU of 5anz by Molmil
Crystal Structure of SltB3 from Pseudomonas aeruginosa.
Descriptor: CALCIUM ION, DI(HYDROXYETHYL)ETHER, SOLUBLE LYTIC TRANSGLYCOSYLASE B3
Authors:Dominguez-Gil, T, Hermoso, J.A.
Deposit date:2015-09-09
Release date:2016-07-20
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.614 Å)
Cite:Turnover of Bacterial Cell Wall by Sltb3, a Multidomain Lytic Transglycosylase of Pseudomonas Aeruginosa.
Acs Chem.Biol., 11, 2016
7LY9
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BU of 7ly9 by Molmil
Cryo-EM structure of 2909 Fab in complex with 3BNC117 Fab and CAP256.wk34.c80 SOSIP.RnS2 N160K HIV-1 Env trimer
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2909 Heavy Chain, ...
Authors:Gorman, J, Kwong, P.D.
Deposit date:2021-03-06
Release date:2021-08-18
Last modified:2021-11-24
Method:ELECTRON MICROSCOPY (3.91 Å)
Cite:Extended antibody-framework-to-antigen distance observed exclusively with broad HIV-1-neutralizing antibodies recognizing glycan-dense surfaces.
Nat Commun, 12, 2021
5OHU
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BU of 5ohu by Molmil
The X-ray Structure of Lytic Transglycosylase Slt from Pseudomonas aeruginosa
Descriptor: PHOSPHATE ION, Soluble lytic murein transglycosylase
Authors:Batuecas, M.T, Dominguez-Gil, T, Hermoso, J.A.
Deposit date:2017-07-18
Release date:2018-04-18
Last modified:2018-05-02
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Exolytic and endolytic turnover of peptidoglycan by lytic transglycosylase Slt ofPseudomonas aeruginosa.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
4PD6
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BU of 4pd6 by Molmil
Crystal structure of vcCNT-7C8C bound to uridine
Descriptor: DECYL-BETA-D-MALTOPYRANOSIDE, NupC family protein, SODIUM ION, ...
Authors:Johnson, Z.L, Lee, S.-Y.
Deposit date:2014-04-17
Release date:2014-08-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Structural basis of nucleoside and nucleoside drug selectivity by concentrative nucleoside transporters.
Elife, 3, 2014
4PD8
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BU of 4pd8 by Molmil
Structure of vcCNT-7C8C bound to pyrrolo-cytidine
Descriptor: 6-methyl-3-(beta-D-ribofuranosyl)-3,7-dihydro-2H-pyrrolo[2,3-d]pyrimidin-2-one, DECYL-BETA-D-MALTOPYRANOSIDE, NupC family protein, ...
Authors:Johnson, Z.L, Lee, S.-Y.
Deposit date:2014-04-17
Release date:2014-08-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structural basis of nucleoside and nucleoside drug selectivity by concentrative nucleoside transporters.
Elife, 3, 2014
4PB1
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BU of 4pb1 by Molmil
Structure of vcCNT-7C8C bound to ribavirin
Descriptor: 1-(beta-D-ribofuranosyl)-1H-1,2,4-triazole-3-carboxamide, DECYL-BETA-D-MALTOPYRANOSIDE, NupC family protein, ...
Authors:Johnson, Z.L, Lee, S.-Y.
Deposit date:2014-04-11
Release date:2014-08-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.803 Å)
Cite:Structural basis of nucleoside and nucleoside drug selectivity by concentrative nucleoside transporters.
Elife, 3, 2014
4PD5
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BU of 4pd5 by Molmil
Crystal structure of vcCNT-7C8C bound to gemcitabine
Descriptor: DECYL-BETA-D-MALTOPYRANOSIDE, GEMCITABINE, NupC family protein, ...
Authors:Johnson, Z.L, Lee, S.-Y.
Deposit date:2014-04-17
Release date:2014-08-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.906 Å)
Cite:Structural basis of nucleoside and nucleoside drug selectivity by concentrative nucleoside transporters.
Elife, 3, 2014
4PDA
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BU of 4pda by Molmil
Structure of vcCNT-7C8C bound to cytidine
Descriptor: 4-AMINO-1-BETA-D-RIBOFURANOSYL-2(1H)-PYRIMIDINONE, DECYL-BETA-D-MALTOPYRANOSIDE, NupC family protein, ...
Authors:Johnson, Z.L, Lee, S.-Y.
Deposit date:2014-04-17
Release date:2014-08-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.608 Å)
Cite:Structural basis of nucleoside and nucleoside drug selectivity by concentrative nucleoside transporters.
Elife, 3, 2014
4PD9
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BU of 4pd9 by Molmil
Structure of vcCNT-7C8C bound to adenosine
Descriptor: ADENOSINE, DECYL-BETA-D-MALTOPYRANOSIDE, NupC family protein, ...
Authors:Johnson, Z.L, Lee, S.-Y.
Deposit date:2014-04-17
Release date:2014-08-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.096 Å)
Cite:Structural basis of nucleoside and nucleoside drug selectivity by concentrative nucleoside transporters.
Elife, 3, 2014
6XTW
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BU of 6xtw by Molmil
HumRadA33F in complex with peptidic inhibitor 6
Descriptor: DNA repair and recombination protein RadA, SULFATE ION, ~{N}-[2-[(2~{S})-2-[[(1~{S})-1-(4-methoxyphenyl)ethyl]carbamoyl]pyrrolidin-1-yl]-2-oxidanylidene-ethyl]quinoline-2-carboxamide
Authors:Fischer, G, Marsh, M.E, Scott, D.E, Coyne, A.G, Skidmore, J, Abell, C, Hyvonen, M.
Deposit date:2020-01-16
Release date:2021-01-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:A small-molecule inhibitor of the BRCA2-RAD51 interaction modulates RAD51 assembly and potentiates DNA damage-induced cell death.
Cell Chem Biol, 28, 2021
8C54
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BU of 8c54 by Molmil
Cryo-EM structure of NADH bound SLA dehydrogenase RlGabD from Rhizobium leguminosarum bv. trifolii SRD1565
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Succinate semialdehyde dehydrogenase
Authors:Sharma, M, Meek, R.W, Armstrong, Z, Blaza, J.N, Alhifthi, A, Li, J, Goddard-Borger, E.D, Williams, S.J, Davies, G.J.
Deposit date:2023-01-06
Release date:2023-09-20
Last modified:2024-04-10
Method:ELECTRON MICROSCOPY (2.52 Å)
Cite:Molecular basis of sulfolactate synthesis by sulfolactaldehyde dehydrogenase from Rhizobium leguminosarum.
Chem Sci, 14, 2023
4UW2
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BU of 4uw2 by Molmil
Crystal structure of Csm1 in T.onnurineus
Descriptor: CSM1
Authors:Jung, T.Y, An, Y, Park, K.H, Lee, M.H, Oh, B.H, Woo, E.J.
Deposit date:2014-08-08
Release date:2015-03-25
Last modified:2015-09-23
Method:X-RAY DIFFRACTION (2.632 Å)
Cite:Crystal Structure of the Csm1 Subunit of the Csm Complex and its Single-Stranded DNA-Specific Nuclease Activity.
Structure, 23, 2015
1E9Y
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BU of 1e9y by Molmil
Crystal structure of Helicobacter pylori urease in complex with acetohydroxamic acid
Descriptor: ACETOHYDROXAMIC ACID, NICKEL (II) ION, UREASE SUBUNIT ALPHA, ...
Authors:Ha, N.-C, Oh, S.-T, Oh, B.-H.
Deposit date:2000-11-01
Release date:2001-11-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Supramolecular Assembly and Acid Resistance of Helicobacter Pylori Urease
Nat.Struct.Biol., 8, 2001
6R5N
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BU of 6r5n by Molmil
The crystal structure of Glycoside Hydrolase BglX from P. aeruginosa in complex with 1-deoxynojirimycin
Descriptor: 1-DEOXYNOJIRIMYCIN, MAGNESIUM ION, Periplasmic beta-glucosidase, ...
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 Å)
Cite:Catalytic Cycle of Glycoside Hydrolase BglX fromPseudomonas aeruginosaand Its Implications for Biofilm Formation.
Acs Chem.Biol., 15, 2020
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
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
6R5R
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BU of 6r5r by Molmil
The crystal structure of Glycoside Hydrolase BglX inactive mutant D286N from P. aeruginosa in complex with cellobiose
Descriptor: DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, Periplasmic beta-glucosidase, ...
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 (1.65 Å)
Cite:Catalytic Cycle of Glycoside Hydrolase BglX fromPseudomonas aeruginosaand Its Implications for Biofilm Formation.
Acs Chem.Biol., 15, 2020
6E2M
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BU of 6e2m by Molmil
ASK1 kinase domain complex with inhibitor
Descriptor: Mitogen-activated protein kinase kinase kinase 5, N-[3-(4-methyl-4H-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide
Authors:Lansdon, E.B.
Deposit date:2018-07-11
Release date:2018-09-19
Last modified:2018-10-17
Method:X-RAY DIFFRACTION (2.253 Å)
Cite:ASK1 contributes to fibrosis and dysfunction in models of kidney disease.
J. Clin. Invest., 128, 2018
6E2N
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BU of 6e2n by Molmil
ASK1 kinase domain complex with inhibitor
Descriptor: Mitogen-activated protein kinase kinase kinase 5, N-[3-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)phenyl][3,4'-bipyridine]-2'-carboxamide
Authors:Lansdon, E.B.
Deposit date:2018-07-11
Release date:2018-09-19
Last modified:2018-10-17
Method:X-RAY DIFFRACTION (2.098 Å)
Cite:ASK1 contributes to fibrosis and dysfunction in models of kidney disease.
J. Clin. Invest., 128, 2018
6E2O
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BU of 6e2o by Molmil
ASK1 kinase domain complex with inhibitor
Descriptor: 4-(4-cyclopropyl-1H-imidazol-1-yl)-N-[3-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide, Mitogen-activated protein kinase kinase kinase 5
Authors:Lansdon, E.B.
Deposit date:2018-07-11
Release date:2018-09-19
Last modified:2018-10-17
Method:X-RAY DIFFRACTION (2.389 Å)
Cite:ASK1 contributes to fibrosis and dysfunction in models of kidney disease.
J. Clin. Invest., 128, 2018
5AA3
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BU of 5aa3 by Molmil
Crystal structure of MltF from Pseudomonas aeruginosa in the presence of tetrasaccharide and tetrapeptide
Descriptor: GLUTAMIC ACID, MEMBRANE-BOUND LYTIC MUREIN TRANSGLYCOSYLASE F
Authors:Dominguez-Gil, T, Acebron, I, Hermoso, J.A.
Deposit date:2015-07-23
Release date:2016-10-12
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Activation by Allostery in Cell-Wall Remodeling by a Modular Membrane-Bound Lytic Transglycosylase from Pseudomonas aeruginosa.
Structure, 24, 2016
5A5X
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BU of 5a5x by Molmil
Crystal Structure of Se-Met MltF from Pseudomonas aeruginosa
Descriptor: 1,2-ETHANEDIOL, MEMBRANE-BOUND LYTIC MUREIN TRANSGLYCOSYLASE F
Authors:Dominguez-Gil, T, Acebron, I, Hermoso, J.A.
Deposit date:2015-06-23
Release date:2016-10-12
Last modified:2017-03-22
Method:X-RAY DIFFRACTION (1.801 Å)
Cite:Activation by Allostery in Cell-Wall Remodeling by a Modular Membrane-Bound Lytic Transglycosylase from Pseudomonas aeruginosa.
Structure, 24, 2016
8VB1
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BU of 8vb1 by Molmil
Crystal structure of HIV-1 protease with GS-9770
Descriptor: (2S)-2-{(3M)-4-chloro-3-[1-(difluoromethyl)-1H-1,2,4-triazol-5-yl]phenyl}-2-[(2E,4R)-4-[4-(2-cyclopropyl-2H-1,2,3-triazol-4-yl)phenyl]-2-imino-5-oxo-4-(3,3,3-trifluoro-2,2-dimethylpropyl)imidazolidin-1-yl]ethyl [1-(difluoromethyl)cyclopropyl]carbamate, HIV-1 protease
Authors:Lansdon, E.B.
Deposit date:2023-12-11
Release date:2024-03-06
Last modified:2024-04-17
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Preclinical characterization of a non-peptidomimetic HIV protease inhibitor with improved metabolic stability.
Antimicrob.Agents Chemother., 68, 2024
7JMT
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BU of 7jmt by Molmil
Crystal structure of schistosome BCL-2 bound to ABT-737
Descriptor: 4-{4-[(4'-CHLOROBIPHENYL-2-YL)METHYL]PIPERAZIN-1-YL}-N-{[4-({(1R)-3-(DIMETHYLAMINO)-1-[(PHENYLTHIO)METHYL]PROPYL}AMINO)-3-NITROPHENYL]SULFONYL}BENZAMIDE, BCL-2 protein
Authors:Smith, N.A, Smith, B.J, Lee, E.F, Colman, P.M, Fairlie, W.D.
Deposit date:2020-08-02
Release date:2021-02-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Optimization of Benzothiazole and Thiazole Hydrazones as Inhibitors of Schistosome BCL-2.
Acs Infect Dis., 7, 2021
5KUD
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BU of 5kud by Molmil
Crystal structure of full length Cry6Aa
Descriptor: Pesticidal crystal protein Cry6Aa
Authors:Kelker, M.S, Xu, X, Lee, M, Chan, M, Hung, S, Dementiev, K, Chikwana, V.M, Hey, T, Narva, K.
Deposit date:2016-07-13
Release date:2016-08-03
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The pesticidal Cry6Aa toxin from Bacillus thuringiensis is structurally similar to HlyE-family alpha pore-forming toxins.
Bmc Biol., 14, 2016

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