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4RS1
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BU of 4rs1 by Molmil
Crystal structure of receptor-cytokine complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Granulocyte-macrophage colony-stimulating factor, ...
著者Broughton, S.E, Parker, M.W, Dhagat, U.
登録日2014-11-06
公開日2015-11-11
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献Conformational Changes in the GM-CSF Receptor Suggest a Molecular Mechanism for Affinity Conversion and Receptor Signaling.
Structure, 24, 2016
5DGS
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BU of 5dgs by Molmil
Crystal structure of human FPPS in complex with the monophosphonate compound 15
分子名称: Farnesyl pyrophosphate synthase, {(E)-2-[6-(acetylamino)-8-(naphthalen-1-yl)quinolin-2-yl]ethenyl}phosphonic acid
著者Rondeau, J.M, Bourgier, E, Lehmann, S.
登録日2015-08-28
公開日2016-07-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献A General Strategy for Targeting Drugs to Bone.
Angew.Chem.Int.Ed.Engl., 54, 2015
6U2D
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BU of 6u2d by Molmil
PmtCD peptide exporter basket domain
分子名称: ABC transporter ATP-binding protein, IODIDE ION, SULFATE ION
著者Zeytuni, N, Strynadka, N.C.J.
登録日2019-08-19
公開日2020-10-14
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Structural insight into the Staphylococcus aureus ATP-driven exporter of virulent peptide toxins
Sci Adv, 6, 2020
4Y30
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BU of 4y30 by Molmil
Crystal structure of human protein arginine methyltransferase PRMT6 bound to SAH and EPZ020411
分子名称: GLYCEROL, MAGNESIUM ION, N,N'-dimethyl-N-({3-[4-({trans-3-[2-(tetrahydro-2H-pyran-4-yl)ethoxy]cyclobutyl}oxy)phenyl]-1H-pyrazol-4-yl}methyl)ethane-1,2-diamine, ...
著者Swinger, K.K, Boriack-Sjodin, P.A.
登録日2015-02-10
公開日2015-04-22
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Aryl Pyrazoles as Potent Inhibitors of Arginine Methyltransferases: Identification of the First PRMT6 Tool Compound.
Acs Med.Chem.Lett., 6, 2015
8PI3
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BU of 8pi3 by Molmil
Cathepsin S Y132D mutant in complex with NNPI-C10 inhibitor
分子名称: 1,2-ETHANEDIOL, ACETATE ION, CADMIUM ION, ...
著者Petruzzella, A, Lau, K, Pojer, F, Oricchio, E.
登録日2023-06-21
公開日2024-06-05
最終更新日2024-06-12
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Antibody-peptide conjugates deliver covalent inhibitors blocking oncogenic cathepsins.
Nat.Chem.Biol., 2024
4Y2H
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BU of 4y2h by Molmil
Crystal structure of human protein arginine methyltransferase PRMT6 bound to SAH and an aryl pyrazole inhibitor
分子名称: GLYCEROL, N-{[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}-N-methylethane-1,2-diamine, Protein arginine N-methyltransferase 6, ...
著者Swinger, K.K, Boriack-Sjodin, P.A.
登録日2015-02-09
公開日2015-04-22
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Aryl Pyrazoles as Potent Inhibitors of Arginine Methyltransferases: Identification of the First PRMT6 Tool Compound.
Acs Med.Chem.Lett., 6, 2015
7UO9
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BU of 7uo9 by Molmil
SARS-CoV-2 replication-transcription complex bound to UTP, in a pre-catalytic state
分子名称: MAGNESIUM ION, Non-structural protein 7, Non-structural protein 8, ...
著者Malone, B.F, Perry, J.K, Appleby, T.C, Feng, J.Y, Campbell, E.A, Darst, S.A.
登録日2022-04-12
公開日2022-11-30
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.13 Å)
主引用文献Structural basis for substrate selection by the SARS-CoV-2 replicase.
Nature, 614, 2023
7UO4
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BU of 7uo4 by Molmil
SARS-CoV-2 replication-transcription complex bound to Remdesivir triphosphate, in a pre-catalytic state
分子名称: MAGNESIUM ION, Non-structural protein 7, Non-structural protein 8, ...
著者Malone, B.F, Perry, J.K, Appleby, T.C, Feng, J.Y, Campbell, E.A, Darst, S.A.
登録日2022-04-12
公開日2022-11-30
最終更新日2023-03-08
実験手法ELECTRON MICROSCOPY (3.38 Å)
主引用文献Structural basis for substrate selection by the SARS-CoV-2 replicase.
Nature, 614, 2023
4XUA
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BU of 4xua by Molmil
Crystal Structure of the bromodomain of human BAZ2B in complex with E11919 BAZ2-ICR analogue
分子名称: 1,2-ETHANEDIOL, 4-{1-[2-(4-methyl-1H-1,2,3-triazol-1-yl)ethyl]-4-phenyl-1H-imidazol-5-yl}benzonitrile, Bromodomain adjacent to zinc finger domain protein 2B
著者Chaikuad, A, Felletar, I, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2015-01-25
公開日2015-03-11
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structure Enabled Design of BAZ2-ICR, A Chemical Probe Targeting the Bromodomains of BAZ2A and BAZ2B.
J.Med.Chem., 58, 2015
4XUB
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BU of 4xub by Molmil
Crystal Structure of the bromodomain of human BAZ2B in complex with BAZ2-ICR chemical probe
分子名称: 1,2-ETHANEDIOL, 4-{4-(1-methyl-1H-pyrazol-4-yl)-1-[2-(4-methyl-1H-1,2,3-triazol-1-yl)ethyl]-1H-imidazol-5-yl}benzonitrile, Bromodomain adjacent to zinc finger domain protein 2B
著者Chaikuad, A, Felletar, I, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2015-01-25
公開日2015-03-11
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Structure Enabled Design of BAZ2-ICR, A Chemical Probe Targeting the Bromodomains of BAZ2A and BAZ2B.
J.Med.Chem., 58, 2015
7UOB
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BU of 7uob by Molmil
SARS-CoV-2 replication-transcription complex bound to GTP, in a pre-catalytic state
分子名称: 3'-DEOXYURIDINE-5'-MONOPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Malone, B.F, Perry, J.K, Appleby, T.C, Feng, J.Y, Campbell, E.A, Darst, S.A.
登録日2022-04-12
公開日2022-11-30
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (2.68 Å)
主引用文献Structural basis for substrate selection by the SARS-CoV-2 replicase.
Nature, 614, 2023
7UO7
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BU of 7uo7 by Molmil
SARS-CoV-2 replication-transcription complex bound to ATP, in a pre-catalytic state
分子名称: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Non-structural protein 7, ...
著者Malone, B.F, Perry, J.K, Appleby, T.C, Feng, J.Y, Campbell, E.A, Darst, S.A.
登録日2022-04-12
公開日2022-11-30
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.09 Å)
主引用文献Structural basis for substrate selection by the SARS-CoV-2 replicase.
Nature, 614, 2023
7UOE
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BU of 7uoe by Molmil
SARS-CoV-2 replication-transcription complex bound to CTP, in a pre-catalytic state
分子名称: 3'-DEOXYURIDINE-5'-MONOPHOSPHATE, CYTIDINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Malone, B.F, Perry, J.K, Appleby, T.C, Feng, J.Y, Campbell, E.A, Darst, S.A.
登録日2022-04-12
公開日2022-11-30
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (2.67 Å)
主引用文献Structural basis for substrate selection by the SARS-CoV-2 replicase.
Nature, 614, 2023
1XYS
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BU of 1xys by Molmil
CATALYTIC CORE OF XYLANASE A E246C MUTANT
分子名称: CALCIUM ION, XYLANASE A
著者Harris, G.W, Jenkins, J.A, Connerton, I, Pickersgill, R.W.
登録日1994-09-02
公開日1995-07-10
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of the catalytic core of the family F xylanase from Pseudomonas fluorescens and identification of the xylopentaose-binding sites.
Structure, 2, 1994
7FEH
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BU of 7feh by Molmil
Crystal structure of human DDR1 in complex with CH5541127
分子名称: Epithelial discoidin domain-containing receptor 1, N-[(5-chloranyl-2-ethylsulfonyl-phenyl)methyl]-3-piperazin-1-yl-5-(trifluoromethyloxy)benzamide, NITRATE ION
著者Fukami, T.A, Kadono, S, Matsuura, T.
登録日2021-07-20
公開日2022-07-27
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Novel potent and highly selective DDR1 inhibitors from integrated lead finding
Medicinal Chemistry Research, 32, 2023
4ZQ0
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BU of 4zq0 by Molmil
crystal structure of Giardia 14-3-3 in complex with the phosphopeptide A8Ap
分子名称: 14-3-3 protein, A8Ap phosphopeptide, PHOSPHATE ION
著者Fiorillo, A, Ilari, A.
登録日2015-05-08
公開日2016-03-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Molecular Dynamics Simulations and Structural Analysis of Giardia duodenalis 14-3-3 Protein-Protein Interactions.
J.Chem.Inf.Model., 55, 2015
5OMZ
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BU of 5omz by Molmil
Solution structure of domain III (DIII)of Zika virus Envelope protein
分子名称: Envelope Protein
著者Zerbe, O, Bardelli, M.
登録日2017-08-02
公開日2017-10-04
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献A Human Bi-specific Antibody against Zika Virus with High Therapeutic Potential.
Cell, 171, 2017
7P4G
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BU of 7p4g by Molmil
Rabbit Muscle L-lactate dehydrogenase in complex with citrate
分子名称: CITRIC ACID, L-lactate dehydrogenase A chain
著者Iacovino, L.G, Binda, C, Hochkoeppler, A.
登録日2021-07-11
公開日2022-05-18
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Allosteric transitions of rabbit skeletal muscle lactate dehydrogenase induced by pH-dependent dissociation of the tetrameric enzyme.
Biochimie, 199, 2022
7YYW
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BU of 7yyw by Molmil
Molecular snapshots of drug release from tubulin: 10 nanoseconds after photoactivation.
分子名称: Azo-Combretastatin A4 (trans), CALCIUM ION, Designed Ankyrin Repeat Protein (DARPIN) D1, ...
著者Wranik, M, Weinert, T, Standfuss, J.
登録日2022-02-18
公開日2023-02-22
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Watching the release of a photopharmacological drug from tubulin using time-resolved serial crystallography.
Nat Commun, 14, 2023
7YZ5
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BU of 7yz5 by Molmil
Molecular snapshots of drug release from tubulin: 100 milliseconds (steady state)
分子名称: CALCIUM ION, Designed Ankyrin Repeat Protein (DARPIN) D1, GUANOSINE-5'-DIPHOSPHATE, ...
著者Wranik, M, Weinert, T, Standfuss, J.
登録日2022-02-18
公開日2023-02-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Watching the release of a photopharmacological drug from tubulin using time-resolved serial crystallography.
Nat Commun, 14, 2023
7YZ2
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BU of 7yz2 by Molmil
Molecular snapshots of drug release from tubulin: 10 milliseconds after photoactivation.
分子名称: Designed Ankyrin Repeat Protein (DARPIN) D1, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
著者Wranik, M, Weinert, T, Standfuss, J.
登録日2022-02-18
公開日2023-02-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Watching the release of a photopharmacological drug from tubulin using time-resolved serial crystallography.
Nat Commun, 14, 2023
7YYV
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BU of 7yyv by Molmil
Molecular snapshots of drug release from tubulin: 1 nanosecond after photoactivation.
分子名称: Azo-Combretastatin A4 (trans), CALCIUM ION, Designed Ankyrin Repeat Protein (DARPIN) D1, ...
著者Wranik, M, Weinert, T, Standfuss, J.
登録日2022-02-18
公開日2023-02-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Watching the release of a photopharmacological drug from tubulin using time-resolved serial crystallography.
Nat Commun, 14, 2023
7YYZ
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BU of 7yyz by Molmil
Molecular snapshots of drug release from tubulin: 10 microseconds after photoactivation.
分子名称: Azo-Combretastatin A4 (trans), CALCIUM ION, Designed Ankyrin Repeat Protein (DARPIN) D1, ...
著者Wranik, M, Weinert, T, Standfuss, J.
登録日2022-02-18
公開日2023-02-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Watching the release of a photopharmacological drug from tubulin using time-resolved serial crystallography.
Nat Commun, 14, 2023
7YZ1
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BU of 7yz1 by Molmil
Molecular snapshots of drug release from tubulin: 1 millisecond after photoactivation.
分子名称: Azo-Combretastatin A4 (trans), CALCIUM ION, Designed Ankyrin Repeat Protein (DARPIN) D1, ...
著者Wranik, M, Weinert, T, Standfuss, J.
登録日2022-02-18
公開日2023-02-22
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Watching the release of a photopharmacological drug from tubulin using time-resolved serial crystallography.
Nat Commun, 14, 2023
7YZ6
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BU of 7yz6 by Molmil
Molecular snapshots of drug release from tubulin: Dark (steady state)
分子名称: Azo-Combretastatin A4 (cis), CALCIUM ION, Designed Ankyrin Repeat Protein (DARPIN) D1, ...
著者Wranik, M, Weinert, T, Standfuss, J.
登録日2022-02-18
公開日2023-02-22
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Watching the release of a photopharmacological drug from tubulin using time-resolved serial crystallography.
Nat Commun, 14, 2023

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