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7O4A
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BU of 7o4a by Molmil
Crystal structure of Penicillin-Binding Protein 1 (PBP1) from Staphylococcus aureus in complex with piperacillin
Descriptor: Hydrolyzed piperacillin, Penicillin-binding protein 1
Authors:Martinez Caballero, S, Hermoso, J.A.
Deposit date:2021-04-05
Release date:2021-11-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.028 Å)
Cite:Integrative structural biology of the penicillin-binding protein-1 from Staphylococcus aureus , an essential component of the divisome machinery.
Comput Struct Biotechnol J, 19, 2021
7O49
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BU of 7o49 by Molmil
Crystal structure of Penicillin-Binding Protein 1 (PBP1) from Staphylococcus aureus
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CADMIUM ION, CHLORIDE ION, ...
Authors:Martinez Caballero, S, Hermoso, J.A.
Deposit date:2021-04-05
Release date:2021-11-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.03 Å)
Cite:Integrative structural biology of the penicillin-binding protein-1 from Staphylococcus aureus , an essential component of the divisome machinery.
Comput Struct Biotechnol J, 19, 2021
7NV1
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BU of 7nv1 by Molmil
Human Pol Kappa holoenzyme with Ub-PCNA
Descriptor: DNA Primer, DNA Template, DNA polymerase kappa, ...
Authors:Lancey, C, De Biasio, A, Hamdan, S.M.
Deposit date:2021-03-15
Release date:2021-11-03
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (6.4 Å)
Cite:Cryo-EM structure of human Pol kappa bound to DNA and mono-ubiquitylated PCNA.
Nat Commun, 12, 2021
7NV0
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BU of 7nv0 by Molmil
Human Pol Kappa holoenzyme with wt PCNA
Descriptor: DNA Primer, DNA Template, DNA polymerase kappa, ...
Authors:Lancey, C, De Biasio, A, Hamdan, S.M.
Deposit date:2021-03-15
Release date:2021-11-10
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Cryo-EM structure of human Pol kappa bound to DNA and mono-ubiquitylated PCNA.
Nat Commun, 12, 2021
7O4C
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BU of 7o4c by Molmil
Crystal structure of PASTA domains of the Penicillin-Binding Protein 1 (PBP1) from Staphylococcus aureus
Descriptor: CHLORIDE ION, Penicillin-binding protein 1
Authors:Martinez Caballero, S, Hermoso, J.A.
Deposit date:2021-04-05
Release date:2021-11-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Integrative structural biology of the penicillin-binding protein-1 from Staphylococcus aureus , an essential component of the divisome machinery.
Comput Struct Biotechnol J, 19, 2021
6MSQ
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BU of 6msq by Molmil
Crystal structure of pRO-2.3
Descriptor: pRO-2.3
Authors:Boyken, S.E, Sankaran, B, Bick, M.J, Baker, D.
Deposit date:2018-10-17
Release date:2019-05-08
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:De novo design of tunable, pH-driven conformational changes.
Science, 364, 2019
6N5E
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BU of 6n5e by Molmil
Broadly protective antibodies directed to a subdominant influenza hemagglutinin epitope
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, FL-1066 heavy chain, FL-1066 light chain, ...
Authors:Bajic, G, Schmidt, A.G.
Deposit date:2018-11-21
Release date:2019-06-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3 Å)
Cite:Influenza Antigen Engineering Focuses Immune Responses to a Subdominant but Broadly Protective Viral Epitope.
Cell Host Microbe, 25, 2019
7O4B
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BU of 7o4b by Molmil
Crystal structure of Penicillin-Binding Protein 1 (PBP1) from Staphylococcus aureus in complex with penicillin G
Descriptor: CITRIC ACID, OPEN FORM - PENICILLIN G, Penicillin-binding protein 1, ...
Authors:Martinez Caballero, S, Hermoso, J.A.
Deposit date:2021-04-05
Release date:2021-11-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.593 Å)
Cite:Integrative structural biology of the penicillin-binding protein-1 from Staphylococcus aureus , an essential component of the divisome machinery.
Comput Struct Biotechnol J, 19, 2021
6MSR
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BU of 6msr by Molmil
Crystal structure of pRO-2.5
Descriptor: pRO-2.5
Authors:Bick, M.J, Sankaran, B, Boyken, S.E, Baker, D.
Deposit date:2018-10-17
Release date:2019-05-08
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:De novo design of tunable, pH-driven conformational changes.
Science, 364, 2019
6N5B
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BU of 6n5b by Molmil
Broadly protective antibodies directed to a subdominant influenza hemagglutinin epitope
Descriptor: 2-acetamido-2-deoxy-beta-D-galactopyranose, Hemagglutinin, antibody heavy chain, ...
Authors:Bajic, G, Maron, M.J, Schmidt, A.G.
Deposit date:2018-11-21
Release date:2019-06-05
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Influenza Antigen Engineering Focuses Immune Responses to a Subdominant but Broadly Protective Viral Epitope.
Cell Host Microbe, 25, 2019
3JRQ
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BU of 3jrq by Molmil
Crystal structure of (+)-ABA-bound PYL1 in complex with ABI1
Descriptor: (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, Protein phosphatase 2C 56, Putative uncharacterized protein At5g46790
Authors:Miyazono, K, Miyakawa, T, Sawano, Y, Kubota, K, Tanokura, M.
Deposit date:2009-09-08
Release date:2009-11-03
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis of abscisic acid signalling
Nature, 462, 2009
7OTB
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BU of 7otb by Molmil
Ruthenium polypridyl complex bound to a unimolecular chair-form G-quadruplex
Descriptor: BARIUM ION, DNA (5'-D(*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*TP*GP*GP*G)-3'), POTASSIUM ION, ...
Authors:McQuaid, K.T, Cardin, C.J, Hall, J.P, Paterson, N.G, Baumgaertner, L.
Deposit date:2021-06-09
Release date:2022-04-06
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Ruthenium Polypyridyl Complex Bound to a Unimolecular Chair-Form G-Quadruplex.
J.Am.Chem.Soc., 144, 2022
3JRS
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BU of 3jrs by Molmil
Crystal structure of (+)-ABA-bound PYL1
Descriptor: (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, Putative uncharacterized protein At5g46790
Authors:Miyazono, K, Miyakawa, T, Sawano, Y, Kubota, K, Tanokura, M.
Deposit date:2009-09-08
Release date:2009-11-03
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural basis of abscisic acid signalling
Nature, 462, 2009
6N5D
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BU of 6n5d by Molmil
Broadly protective antibodies directed to a subdominant influenza hemagglutinin epitope
Descriptor: Hemagglutinin, antibody heavy chain, antibody light chain
Authors:Bajic, G, Schmidt, A.G.
Deposit date:2018-11-21
Release date:2019-06-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3 Å)
Cite:Influenza Antigen Engineering Focuses Immune Responses to a Subdominant but Broadly Protective Viral Epitope.
Cell Host Microbe, 25, 2019
6OHD
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BU of 6ohd by Molmil
P38 in complex with T-3220137
Descriptor: 3-(3-tert-butyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-6-yl)-4-methyl-N-(1,2-oxazol-3-yl)benzamide, Mitogen-activated protein kinase 14
Authors:Lane, W, Saikatendu, K.
Deposit date:2019-04-05
Release date:2019-11-20
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure-Based Design, Synthesis, and Biological Evaluation of Imidazo[4,5-b]Pyridin-2-one-Based p38 MAP Kinase Inhibitors: Part 2.
Chemmedchem, 14, 2019
6O5Y
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BU of 6o5y by Molmil
Structure of Human Cytochrome P450 1A1 with 5-amino-N-(5-((4R,5R)-4-amino-5-fluoroazepan-1-yl)-1-methyl-1H-pyrazol-4-yl)-2-(2,6-difluorophenyl)thiazole-4-carboxamide)
Descriptor: 5-amino-N-{5-[(4R,5R)-4-amino-5-fluoroazepan-1-yl]-1-methyl-1H-pyrazol-4-yl}-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide, Cytochrome P450 1A1, NITRATE ION, ...
Authors:Bart, A.G, Scott, E.E.
Deposit date:2019-03-04
Release date:2019-12-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.17 Å)
Cite:Human Cytochrome P450 1A1 Adapts Active Site for Atypical Nonplanar Substrate.
Drug Metab.Dispos., 48, 2020
3KYL
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BU of 3kyl by Molmil
Structure of the catalytic subunit of telomerase bound to its RNA template and telomeric DNA
Descriptor: DNA/RNA (5'-R(*CP*UP*GP*AP*CP*CP*UP*GP*AP*C)-D(P*TP*TP*CP*GP*GP*TP*CP*AP*GP*GP*TP*CP*AP*G)-3'), MAGNESIUM ION, Telomerase reverse transcriptase
Authors:Skordalakes, E.
Deposit date:2009-12-06
Release date:2010-03-31
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis for telomerase catalytic subunit TERT binding to RNA template and telomeric DNA.
Nat.Struct.Mol.Biol., 17, 2010
2W3K
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BU of 2w3k by Molmil
Crystal Structure of FXa in complex with 4,4-disubstituted pyrrolidine-1,2-dicarboxamide inhibitor 1
Descriptor: (2R,4S)-N^1^-(4-chlorophenyl)-N^2^-[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]-4-hydroxy-4-phenylpyrrolidine-1,2-dicarboxamide, CALCIUM ION, COAGULATION FACTOR X, ...
Authors:Zhang, E, Mochalkin, I, Casimiro-Garcia, A, Van Huis, C.A.
Deposit date:2008-11-12
Release date:2009-04-07
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Exploration of 4,4-Disubstituted Pyrrolidine-1,2-Dicarboxamides as Potent, Orally Active Factor Xa Inhibitors with Extended Duration of Action.
Bioorg.Med.Chem., 17, 2009
4CHX
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BU of 4chx by Molmil
Crystal structure of MltC in complex with disaccharide pentapeptide DHl89
Descriptor: 2-(2-ACETYLAMINO-4-HYDROXY-6,8-DIOXA-BICYCLO[3.2.1]OCT-3-YLOXY)-PROPIONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, Membrane-bound lytic murein transglycosylase C, ...
Authors:Artola-Recolons, C, Bernardo-Garcia, N, Hermoso, J.A.
Deposit date:2013-12-04
Release date:2014-07-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structure and Cell Wall Cleavage by Modular Lytic Transglycosylase Mltc of Escherichia Coli.
Acs Chem.Biol., 9, 2014
4CFO
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BU of 4cfo by Molmil
Structure of Lytic Transglycosylase MltC from Escherichia coli in complex with tetrasaccharide at 2.9 A resolution.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-3-O-[(2R)-1-amino-1-oxopropan-2-yl]-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-methyl 2-acetamido-3-O-[(2R)-1-amino-1-oxopropan-2-yl]-2-deoxy-beta-D-glucopyranoside, MLTC
Authors:Artola-Recolons, C, Bernardo-Garcia, N, Mobashery, S, Hermoso, J.A.
Deposit date:2013-11-19
Release date:2014-07-23
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure and Cell Wall Cleavage by Modular Lytic Transglycosylase Mltc of Escherichia Coli.
Acs Chem.Biol., 9, 2014
2VKE
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BU of 2vke by Molmil
Tet repressor class D complexed with cobalt and tetracycline
Descriptor: CHLORIDE ION, COBALT (II) ION, TETRACYCLINE, ...
Authors:Palm, G.J, Hinrichs, W.
Deposit date:2007-12-18
Release date:2008-07-01
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Specific Binding of Divalent Metal Ions to Tetracycline and to the Tet Repressor/Tetracycline Complex.
J.Biol.Inorg.Chem., 13, 2008
2W3I
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BU of 2w3i by Molmil
Crystal Structure of FXa in complex with 4,4-disubstituted pyrrolidine-1,2-dicarboxamide inhibitor 2
Descriptor: (2R,4S)-N^1^-(4-chlorophenyl)-4-(2,4-difluorophenyl)-4-hydroxy-N^2^-(2-oxo-2H-1,3'-bipyridin-6'-yl)pyrrolidine-1,2-dicarboxamide, CALCIUM ION, COAGULATION FACTOR X, ...
Authors:Zhang, E, Mochalkin, I, Casimiro-Garcia, A, Van Huis, C.A.
Deposit date:2008-11-12
Release date:2009-04-07
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Exploration of 4,4-Disubstituted Pyrrolidine-1,2-Dicarboxamides as Potent, Orally Active Factor Xa Inhibitors with Extended Duration of Action.
Bioorg.Med.Chem., 17, 2009
2YQY
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BU of 2yqy by Molmil
Crystal structure of TT2238, a four-helix bundle protein
Descriptor: Hypothetical protein TTHA0303
Authors:Nagata, K, Ohtsuka, J, Iino, H, Ebihara, A, Yokoyama, S, Kuramitsu, S, Tanokura, M.
Deposit date:2007-03-31
Release date:2008-03-04
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of TTHA0303 (TT2238), a four-helix bundle protein with an exposed histidine triad from Thermus thermophilus HB8 at 2.0 A
Proteins, 70, 2008
7JY1
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BU of 7jy1 by Molmil
Structure of HbA with compound 19
Descriptor: 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, CARBON MONOXIDE, Hemoglobin subunit alpha, ...
Authors:Jasti, J.
Deposit date:2020-08-28
Release date:2021-01-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:PF-07059013: A Noncovalent Modulator of Hemoglobin for Treatment of Sickle Cell Disease.
J.Med.Chem., 64, 2021
7L7F
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BU of 7l7f by Molmil
Cryo-EM structure of human ACE2 receptor bound to protein encoded by vaccine candidate BNT162b1
Descriptor: Angiotensin-converting enzyme 2, Spike glycoprotein, Envelope glycoprotein fusion
Authors:Lees, J.A, Han, S.
Deposit date:2020-12-28
Release date:2021-02-24
Last modified:2021-04-21
Method:ELECTRON MICROSCOPY (3.24 Å)
Cite:BNT162b vaccines protect rhesus macaques from SARS-CoV-2.
Nature, 592, 2021

222624

数据于2024-07-17公开中

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