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8CP9
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BU of 8cp9 by Molmil
1,6-anhydro-n-actetylmuramic acid kinase (AnmK)in complex with non-hydrolyzable AMPPNP.
Descriptor: Anhydro-N-acetylmuramic acid kinase, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Jimenez-Faraco, E, Hermoso, J.A.
Deposit date:2023-03-02
Release date:2023-09-20
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Catalytic process of anhydro-N-acetylmuramic acid kinase from Pseudomonas aeruginosa.
J.Biol.Chem., 299, 2023
7E69
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BU of 7e69 by Molmil
The crystal structure of peptidoglycan peptidase in complex with inhibitor 3-3
Descriptor: N-oxidanyl-4-[(4-sulfamoylphenyl)methyl]benzamide, Peptidase M23, ZINC ION
Authors:Choi, Y, Min, K.J, Yoon, H.J, Lee, H.H.
Deposit date:2021-02-21
Release date:2022-02-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Structure-based inhibitor design for reshaping bacterial morphology
Commun Biol, 5, 2022
7E65
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BU of 7e65 by Molmil
The crystal structure of peptidoglycan peptidase in complex with inhibitor 3
Descriptor: (2S)-2-acetamido-N-[(2R)-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]-3-(4-sulfamoylphenyl)propanamide, Peptidase M23, ZINC ION
Authors:Choi, Y, Min, K.J, Yoon, H.J, Lee, H.H.
Deposit date:2021-02-21
Release date:2022-02-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structure-based inhibitor design for reshaping bacterial morphology
Commun Biol, 5, 2022
7E60
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BU of 7e60 by Molmil
The crystal structure of peptidoglycan peptidase in complex with inhibitor 1
Descriptor: (2~{R},6~{S})-2,6-diacetamido-7-[[(2~{R})-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]amino]-7-oxidanylidene-heptanoic acid, Peptidase M23, ZINC ION
Authors:Min, K, Yoon, H.J, Choi, Y, Lee, H.H.
Deposit date:2021-02-21
Release date:2022-02-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Structure-based inhibitor design for reshaping bacterial morphology
Commun Biol, 5, 2022
7E67
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BU of 7e67 by Molmil
The crystal structure of peptidoglycan peptidase in complex with inhibitor 3-2
Descriptor: N-oxidanyl-2-[4-(4-sulfamoylphenyl)phenyl]ethanamide, Peptidase M23, ZINC ION
Authors:Choi, Y, Min, K.J, Yoon, H.J, Lee, H.H.
Deposit date:2021-02-21
Release date:2022-02-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structure-based inhibitor design for reshaping bacterial morphology
Commun Biol, 5, 2022
7E61
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BU of 7e61 by Molmil
The crystal structure of peptidoglycan peptidase in complex with inhibitor 2
Descriptor: 2-[[(3S)-3-acetamido-4-[[(2R)-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butyl]-(phenylmethyl)amino]ethanoic acid, Peptidase M23, ZINC ION
Authors:Min, K.J, Yoon, H.J, Choi, Y, Lee, H.H.
Deposit date:2021-02-21
Release date:2022-02-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-based inhibitor design for reshaping bacterial morphology
Commun Biol, 5, 2022
7E64
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BU of 7e64 by Molmil
The crystal structure of peptidoglycan peptidase in complex with inhibitor 2-2
Descriptor: 2-[[(3S)-3-acetamido-4-[[(2R)-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butyl]amino]ethanoic acid, Peptidase M23, ZINC ION
Authors:Choi, Y, Min, K.J, Yoon, H.J, Lee, H.H.
Deposit date:2021-02-21
Release date:2022-02-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure-based inhibitor design for reshaping bacterial morphology
Commun Biol, 5, 2022
7E63
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BU of 7e63 by Molmil
The crystal structure of peptidoglycan peptidase in complex with inhibitor 2-1
Descriptor: 2-[[(3S)-3-acetamido-4-[[(2R)-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butyl]-(cyclopentylmethyl)amino]ethanoic acid, Peptidase M23, ZINC ION
Authors:Choi, Y, Min, K.J, Yoon, H.J, Lee, H.H.
Deposit date:2021-02-21
Release date:2022-02-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure-based inhibitor design for reshaping bacterial morphology
Commun Biol, 5, 2022
7E66
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BU of 7e66 by Molmil
The crystal structure of peptidoglycan peptidase in complex with inhibitor 3-1
Descriptor: N-[2-(oxidanylamino)-2-oxidanylidene-ethyl]-2-(4-sulfamoylphenyl)ethanamide, Peptidase M23, ZINC ION
Authors:Choi, Y, Min, K.J, Yoon, H.J, Lee, H.H.
Deposit date:2021-02-21
Release date:2022-02-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:Structure-based inhibitor design for reshaping bacterial morphology
Commun Biol, 5, 2022
4RSI
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BU of 4rsi by Molmil
Yeast Smc2-Smc4 hinge domain with extended coiled coils
Descriptor: PHOSPHATE ION, Structural maintenance of chromosomes protein 2, Structural maintenance of chromosomes protein 4
Authors:Soh, Y.M, Shin, H.C, Oh, B.H.
Deposit date:2014-11-08
Release date:2014-12-31
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Molecular Basis for SMC Rod Formation and Its Dissolution upon DNA Binding.
Mol.Cell, 57, 2015
4RSJ
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BU of 4rsj by Molmil
Pyrococcus furiosus Smc hinge domain with an extended coiled coil
Descriptor: Chromosome partition protein Smc
Authors:Soh, Y.M, Shin, H.C, Oh, B.H.
Deposit date:2014-11-08
Release date:2014-12-31
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Molecular Basis for SMC Rod Formation and Its Dissolution upon DNA Binding.
Mol.Cell, 57, 2015
6R5V
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BU of 6r5v by Molmil
The crystal structure of Glycoside Hydrolase BglX inactive mutant D286N from P. aeruginosa in complex with xylotriose
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 (1.8 Å)
Cite:Catalytic Cycle of Glycoside Hydrolase BglX fromPseudomonas aeruginosaand Its Implications for Biofilm Formation.
Acs Chem.Biol., 15, 2020
6R5P
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BU of 6r5p by Molmil
The crystal structure of Glycoside Hydrolase BglX inactive mutant D286N from P. aeruginosa in complex with glucose
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 (2.85 Å)
Cite:Catalytic Cycle of Glycoside Hydrolase BglX fromPseudomonas aeruginosaand Its Implications for Biofilm Formation.
Acs Chem.Biol., 15, 2020
6R5U
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BU of 6r5u by Molmil
The crystal structure of Glycoside Hydrolase BglX inactive mutant from P. aeruginosa in complex with laminaritriose
Descriptor: MAGNESIUM ION, Periplasmic beta-glucosidase, beta-D-glucopyranose-(1-3)-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 (2.15 Å)
Cite:Catalytic Cycle of Glycoside Hydrolase BglX fromPseudomonas aeruginosaand Its Implications for Biofilm Formation.
Acs Chem.Biol., 15, 2020
6R5T
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BU of 6r5t by Molmil
The crystal structure of Glycoside Hydrolase BglX inactive mutant D286N from P. aeruginosa in complex with lactose
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 (1.6 Å)
Cite:Catalytic Cycle of Glycoside Hydrolase BglX fromPseudomonas aeruginosaand Its Implications for Biofilm Formation.
Acs Chem.Biol., 15, 2020
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
3U3A
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BU of 3u3a by Molmil
structure of Human Carbonic Anhydrase II V143I
Descriptor: Carbonic anhydrase 2, GLYCEROL, ZINC ION
Authors:West, D, Mckenna, R.
Deposit date:2011-10-05
Release date:2012-10-10
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.549 Å)
Cite:Structural Analysis of Human Carbonic Anhydrase II Binding Pocket
To be Published
5J48
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BU of 5j48 by Molmil
PKG I's Carboyl Terminal Cyclic Nucleotide Binding Domain (CNB-B) in a complex with 8-pCPT-cGMP
Descriptor: 1,2-ETHANEDIOL, 2-amino-8-[(4-chlorophenyl)sulfanyl]-9-[(2S,4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxotetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-3,9-dihydro-6H-purin-6-one, CALCIUM ION, ...
Authors:Campbell, J.C, Sankaran, B, Kim, C.W.
Deposit date:2016-03-31
Release date:2017-04-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Structural Basis of Analog Specificity in PKG I and II.
ACS Chem. Biol., 12, 2017
5JD7
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BU of 5jd7 by Molmil
PKG I's Carboxyl Terminal Cyclic Nucleotide Binding Domain (CNB-B) in a complex with PET-cGMP
Descriptor: 3-[(2S,4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxotetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-6-phenyl-3,4-dihydro-9H-imidazo[1,2-a]purin-9-one, cGMP-dependent protein kinase 1
Authors:Campbell, J.C, Sankaran, B, Kim, C.W.
Deposit date:2016-04-15
Release date:2017-08-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.749 Å)
Cite:Structural Basis of Analog Specificity in PKG I and II.
ACS Chem. Biol., 12, 2017
5JAX
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BU of 5jax by Molmil
PKG I's Carboyl Terminal Cyclic Nucleotide Binding Domain (CNB-B) in a complex with 8-Br-cGMP
Descriptor: 2-amino-8-bromo-9-[(2R,4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxotetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-1,9-dihydro-6H-purin-6-one, CALCIUM ION, SODIUM ION, ...
Authors:Campbell, J.C, Sankaran, B, Kim, C.W.
Deposit date:2016-04-12
Release date:2017-04-19
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.486 Å)
Cite:Structural Basis of Analog Specificity in PKG I and II.
ACS Chem. Biol., 12, 2017
7NS6
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BU of 7ns6 by Molmil
SARS-CoV-2 Spike (dimers) in complex with six Fu2 nanobodies
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fu2 nanobody, Spike glycoprotein,Fibritin, ...
Authors:Das, H, Hallberg, B.M.
Deposit date:2021-03-05
Release date:2022-02-02
Method:ELECTRON MICROSCOPY (3.18 Å)
Cite:A bispecific monomeric nanobody induces spike trimer dimers and neutralizes SARS-CoV-2 in vivo.
Nat Commun, 13, 2022
7NLL
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BU of 7nll by Molmil
SARS-CoV-2 Spike RBD (dimer) in complex with two Fu2 nanobodies
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Nanobody Fu2, Spike protein S1
Authors:Das, H, Hallberg, B.M.
Deposit date:2021-02-22
Release date:2022-02-02
Last modified:2023-09-27
Method:ELECTRON MICROSCOPY (2.89 Å)
Cite:A bispecific monomeric nanobody induces spike trimer dimers and neutralizes SARS-CoV-2 in vivo.
Nat Commun, 13, 2022

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数据于2024-05-15公开中

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