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3ZFZ
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BU of 3zfz by Molmil
Crystal structure of ceftaroline acyl-PBP2a from MRSA with non- covalently bound ceftaroline and muramic acid at allosteric site obtained by soaking
Descriptor: CADMIUM ION, CHLORIDE ION, Ceftaroline, ...
Authors:Otero, L.H, Rojas-Altuve, A, Hermoso, J.A.
Deposit date:2012-12-13
Release date:2013-10-09
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:How Allosteric Control of Staphylococcus Aureus Penicillin Binding Protein 2A Enables Methicillin Resistance and Physiological Function
Proc.Natl.Acad.Sci.USA, 110, 2013
3ZG0
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BU of 3zg0 by Molmil
Crystal structure of ceftaroline acyl-PBP2a from MRSA with non- covalently bound ceftaroline and muramic acid at allosteric site obtained by cocrystallization
Descriptor: CADMIUM ION, CHLORIDE ION, Ceftaroline, ...
Authors:Otero, L.H, Rojas-Altuve, A, Hermoso, J.A.
Deposit date:2012-12-13
Release date:2013-10-09
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:How Allosteric Control of Staphylococcus Aureus Penicillin Binding Protein 2A Enables Methicillin Resistance and Physiological Function
Proc.Natl.Acad.Sci.USA, 110, 2013
1PEE
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BU of 1pee by Molmil
Crystal Structure of Nitrophorin 2 complex with imidazole
Descriptor: IMIDAZOLE, Nitrophorin 2, PROTOPORPHYRIN IX CONTAINING FE
Authors:Weihsel, A, Montfort, W.R.
Deposit date:2003-05-21
Release date:2004-06-01
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Conformational change and heme ruffling in nitrophorin 2, a nitric oxide carrier from kissing bug.
To be Published
4U3B
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BU of 4u3b by Molmil
LpxC from A.Aaeolicus in complex with the MMP inhibitor 4-[[4-(4-chlorophenoxy)phenyl]sulfanylmethyl]tetrahydropyran-4-carbohydroxamic acid - compound 2
Descriptor: 4-({[4-(4-chlorophenoxy)phenyl]sulfanyl}methyl)-N-hydroxytetrahydro-2H-pyran-4-carboxamide, CHLORIDE ION, IMIDAZOLE, ...
Authors:Olivier, N.B.
Deposit date:2014-07-19
Release date:2014-10-01
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Synthesis, Structure, and SAR of Tetrahydropyran-Based LpxC Inhibitors.
Acs Med.Chem.Lett., 5, 2014
6PYC
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BU of 6pyc by Molmil
Structure of kappa-on-heavy (KoH) antibody Fab bound to the cardiac hormone marinobufagenin
Descriptor: (3beta,5beta,14alpha,15beta)-3,5-dihydroxy-14,15-epoxybufa-20,22-dienolide, KoH body Fab heavy chain, KoH body Fab light chain, ...
Authors:Franklin, M.C, Macdonald, L.E, McWhirter, J, Murphy, A.J.
Deposit date:2019-07-29
Release date:2019-12-25
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Kappa-on-Heavy (KoH) bodies are a distinct class of fully-human antibody-like therapeutic agents with antigen-binding properties.
Proc.Natl.Acad.Sci.USA, 117, 2020
6YMW
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BU of 6ymw by Molmil
Cryo-EM structure of yeast mitochondrial RNA polymerase transcription initiation complex
Descriptor: Chains: N, Chains: T, DNA-directed RNA polymerase, ...
Authors:Das, K, Patel, S.S.
Deposit date:2020-04-10
Release date:2020-12-09
Last modified:2023-10-18
Method:ELECTRON MICROSCOPY (3.71 Å)
Cite:Cryo-EM Structures Reveal Transcription Initiation Steps by Yeast Mitochondrial RNA Polymerase.
Mol.Cell, 81, 2021
3NUP
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BU of 3nup by Molmil
CDK6 (monomeric) in complex with inhibitor
Descriptor: 4-[3-(1-methylethyl)-1H-pyrazol-4-yl]-N-(1-methylpiperidin-4-yl)pyrimidin-2-amine, Cell division protein kinase 6
Authors:Chopra, R.
Deposit date:2010-07-07
Release date:2010-12-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:4-(Pyrazol-4-yl)-pyrimidines as selective inhibitors of cyclin-dependent kinase 4/6.
J.Med.Chem., 53, 2010
3NUX
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BU of 3nux by Molmil
CDK6 (monomeric) in complex with inhibitor
Descriptor: 4-[5-chloro-3-(1-methylethyl)-1H-pyrazol-4-yl]-N-(5-piperazin-1-ylpyridin-2-yl)pyrimidin-2-amine, Cell division protein kinase 6
Authors:Chopra, R.
Deposit date:2010-07-07
Release date:2010-12-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:4-(Pyrazol-4-yl)-pyrimidines as selective inhibitors of cyclin-dependent kinase 4/6.
J.Med.Chem., 53, 2010
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
1U0X
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BU of 1u0x by Molmil
Crystal structure of nitrophorin 4 under pressure of xenon (200 psi)
Descriptor: AMMONIA, Nitrophorin 4, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Nienhaus, K, Maes, E.M, Weichsel, A, Montfort, W.R, Nienhaus, G.U.
Deposit date:2004-07-14
Release date:2004-07-20
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structural dynamics controls nitric oxide affinity in nitrophorin 4
J.Biol.Chem., 279, 2004
2DHF
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BU of 2dhf by Molmil
CRYSTAL STRUCTURES OF RECOMBINANT HUMAN DIHYDROFOLATE REDUCTASE COMPLEXED WITH FOLATE AND 5-DEAZOFOLATE
Descriptor: 5-DEAZAFOLIC ACID, DIHYDROFOLATE REDUCTASE
Authors:Davies /II, J.F, Kraut, J.
Deposit date:1989-10-25
Release date:1990-07-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structures of recombinant human dihydrofolate reductase complexed with folate and 5-deazafolate.
Biochemistry, 29, 1990
1YQ3
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BU of 1yq3 by Molmil
Avian respiratory complex ii with oxaloacetate and ubiquinone
Descriptor: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, Coenzyme Q10, (2Z,6E,10Z,14E,18E,22E,26Z)-isomer, ...
Authors:Huang, L, Cobessi, D, Tung, E.Y, Berry, E.A.
Deposit date:2005-02-01
Release date:2005-12-20
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:3-Nitropropionic Acid Is a Suicide Inhibitor of Mitochondrial Respiration That, upon Oxidation by Complex II, Forms a Covalent Adduct with a Catalytic Base Arginine in the Active Site of the Enzyme
J.Biol.Chem., 281, 2006
7TWD
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BU of 7twd by Molmil
Structure of AAGAB C-terminal dimerization domain
Descriptor: Alpha- and gamma-adaptin-binding protein p34, PHOSPHATE ION
Authors:Tian, Y, Yin, Q.
Deposit date:2022-02-07
Release date:2023-01-18
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Oligomer-to-monomer transition underlies the chaperone function of AAGAB in AP1/AP2 assembly.
Proc.Natl.Acad.Sci.USA, 120, 2023
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
5M18
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BU of 5m18 by Molmil
Crystal structure of PBP2a from MRSA in the presence of Cefepime ligand
Descriptor: CADMIUM ION, Penicillin-binding protein 2, beta-muramic acid
Authors:Molina, R, Batuecas, M.T, Hermoso, J.A.
Deposit date:2016-10-07
Release date:2017-02-08
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Conformational Dynamics in Penicillin-Binding Protein 2a of Methicillin-Resistant Staphylococcus aureus, Allosteric Communication Network and Enablement of Catalysis.
J. Am. Chem. Soc., 139, 2017
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
5M1A
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BU of 5m1a by Molmil
Crystal structure of PBP2a from MRSA in the presence of Ceftazidime ligand
Descriptor: CADMIUM ION, Penicillin-binding protein 2, beta-muramic acid
Authors:Molina, R, Batuecas, M.T, Hermoso, J.A.
Deposit date:2016-10-07
Release date:2017-02-08
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Conformational Dynamics in Penicillin-Binding Protein 2a of Methicillin-Resistant Staphylococcus aureus, Allosteric Communication Network and Enablement of Catalysis.
J. Am. Chem. Soc., 139, 2017
5M19
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BU of 5m19 by Molmil
Crystal structure of PBP2a from MRSA in the presence of Oxacillin ligand
Descriptor: CADMIUM ION, Penicillin-binding protein 2, beta-muramic acid
Authors:Molina, R, Batuecas, M.T, Hermoso, J.A.
Deposit date:2016-10-07
Release date:2017-02-08
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Conformational Dynamics in Penicillin-Binding Protein 2a of Methicillin-Resistant Staphylococcus aureus, Allosteric Communication Network and Enablement of Catalysis.
J. Am. Chem. Soc., 139, 2017
8BRE
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BU of 8bre by Molmil
1,6-anhydro-n-actetylmuramic acid kinase (AnmK)
Descriptor: Anhydro-N-acetylmuramic acid kinase, CHLORIDE ION
Authors:Jimenez-Faraco, E, Hermoso, J.A.
Deposit date:2022-11-23
Release date:2023-09-20
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Catalytic process of anhydro-N-acetylmuramic acid kinase from Pseudomonas aeruginosa.
J.Biol.Chem., 299, 2023
5MMH
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BU of 5mmh by Molmil
The X-Ray Structure of the Effector Domain of the Transcriptional Regulator AmpR of Pseudomonas aeruginosa
Descriptor: HTH-type transcriptional activator AmpR
Authors:Hermoso, J.A, Dominguez gil Velasco, T.
Deposit date:2016-12-09
Release date:2017-01-25
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Muropeptide Binding and the X-ray Structure of the Effector Domain of the Transcriptional Regulator AmpR of Pseudomonas aeruginosa.
J. Am. Chem. Soc., 139, 2017
8OJ9
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BU of 8oj9 by Molmil
Arabidopsis thaliana Phosphoenolpyruvate carboxylase PPC1 free form
Descriptor: Phosphoenolpyruvate carboxylase 1
Authors:Haesaerts, S, Loris, R, Larsen, P.B.
Deposit date:2023-03-24
Release date:2023-04-12
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (3.246383 Å)
Cite:Amino acid changes that deregulate PHOSPHOENOLPYRUVATE CARBOXYLASE in plants
To Be Published
8OJF
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BU of 8ojf by Molmil
Arabidopsis thaliana Phosphoenolpyruvate carboxylase PPC1 with bound phosphate
Descriptor: CHLORIDE ION, PHOSPHATE ION, Phosphoenolpyruvate carboxylase 1
Authors:Haesaerts, S, Loris, R, Larsen, P.B.
Deposit date:2023-03-24
Release date:2023-05-31
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (3.03683758 Å)
Cite:Amino acid changes that deregulate PHOSPHOENOLPYRUVATE CARBOXYLASE in plants
To Be Published
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
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

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PDB entries from 2024-10-16

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