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1CWL
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HUMAN CYCLOPHILIN A COMPLEXED WITH 4 4-HYDROXY-MELEU CYCLOSPORIN
分子名称: CYCLOSPORIN A, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A
著者Mikol, V, Kallen, J, Taylor, P, Walkinshaw, M.D.
登録日1998-05-26
公開日1998-07-15
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献X-Ray Structures and Analysis of 11 Cyclosporin Derivatives Complexed with Cyclophilin A.
J.Mol.Biol., 283, 1998
1D7J
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BU of 1d7j by Molmil
FKBP COMPLEXED WITH 4-HYDROXY-2-BUTANONE
分子名称: 4-HYDROXY-2-BUTANONE, AMMONIUM ION, PROTEIN (FK506-BINDING PROTEIN), ...
著者Burkhard, P, Taylor, P, Walkinshaw, M.D.
登録日1999-10-18
公開日1999-10-21
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献X-ray structures of small ligand-FKBP complexes provide an estimate for hydrophobic interaction energies.
J.Mol.Biol., 295, 2000
1D7I
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BU of 1d7i by Molmil
FKBP COMPLEXED WITH METHYL METHYLSULFINYLMETHYL SULFIDE (DSS)
分子名称: AMMONIUM ION, METHYL METHYLSULFINYLMETHYL SULFIDE, PROTEIN (FK506-BINDING PROTEIN), ...
著者Burkhard, P, Taylor, P, Walkinshaw, M.D.
登録日1999-10-18
公開日1999-10-21
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献X-ray structures of small ligand-FKBP complexes provide an estimate for hydrophobic interaction energies.
J.Mol.Biol., 295, 2000
1CWO
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HUMAN CYCLOPHILIN A COMPLEXED WITH THR2, LEU5, D-HIV8, LEU10 CYCLOSPORIN
分子名称: CYCLOSPORIN C, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A
著者Mikol, V, Kallen, J, Taylor, P, Walkinshaw, M.D.
登録日1998-06-05
公開日1998-08-12
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Conformational Differences of an Immunosuppressant Peptolide in a Single Crystal and in a Crystal Complex with Human Cyclophilin A.
J.Mol.Biol., 283, 1998
1CWJ
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BU of 1cwj by Molmil
HUMAN CYCLOPHILIN A COMPLEXED WITH 2-VAL 3-S-METHYL-SARCOSINE CYCLOSPORIN
分子名称: CYCLOSPORIN D, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A
著者Mikol, V, Kallen, J, Taylor, P, Walkinshaw, M.D.
登録日1998-05-25
公開日1998-08-26
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献X-Ray Structures and Analysis of 11 Cyclosporin Derivatives Complexed with Cyclophilin A.
J.Mol.Biol., 283, 1998
1CWK
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HUMAN CYCLOPHILIN A COMPLEXED WITH 1-(6,7-DIHYDRO)MEBMT 2-VAL 3-D-(2-S-METHYL)SARCOSINE CYCLOSPORIN
分子名称: CYCLOSPORIN D, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A
著者Mikol, V, Kallen, J, Taylor, P, Walkinshaw, M.D.
登録日1998-05-26
公開日1998-07-15
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献X-Ray Structures and Analysis of 11 Cyclosporin Derivatives Complexed with Cyclophilin A.
J.Mol.Biol., 283, 1998
1CWF
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HUMAN CYCLOPHILIN A COMPLEXED WITH 2-VAL CYCLOSPORIN
分子名称: CYCLOSPORIN D, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A
著者Mikol, V, Kallen, J, Taylor, P, Walkinshaw, M.D.
登録日1998-04-30
公開日1998-07-15
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献X-Ray Structures and Analysis of 11 Cyclosporin Derivatives Complexed with Cyclophilin A.
J.Mol.Biol., 283, 1998
1BCK
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BU of 1bck by Molmil
HUMAN CYCLOPHILIN A COMPLEXED WITH 2-THR CYCLOSPORIN
分子名称: CYCLOSPORIN C, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A
著者Mikol, V, Kallen, J, Taylor, P, Walkinshaw, M.D.
登録日1998-04-30
公開日1998-09-16
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献X-Ray Structures and Analysis of 11 Cyclosporin Derivatives Complexed with Cyclophilin A.
J.Mol.Biol., 283, 1998
1E3B
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BU of 1e3b by Molmil
CYCLOPHILIN 3 FROM C.ELEGANS COMPLEXED WITH AUP(ET)3
分子名称: CYCLOPHILIN 3, GOLD ION, TRIETHYLPHOSPHANE
著者Zou, J, Taylor, P, Dornan, J, Robinson, S.P, Walkinshaw, M.D, Sadler, P.J.
登録日2000-06-08
公開日2000-10-22
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献First Crystal Structure of a Medicinally Relevant Gold Protein Complex:Unexpected Binding of [Au(Pet (3))](+) to Histidine
Angew.Chem.Int.Ed.Engl., 39, 2000
1D7H
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BU of 1d7h by Molmil
FKBP COMPLEXED WITH DMSO
分子名称: AMMONIUM ION, DIMETHYL SULFOXIDE, PROTEIN (FK506-BINDING PROTEIN), ...
著者Burkhard, P, Taylor, P, Walkinshaw, M.D.
登録日1999-10-18
公開日1999-10-21
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献X-ray structures of small ligand-FKBP complexes provide an estimate for hydrophobic interaction energies.
J.Mol.Biol., 295, 2000
5WS8
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BU of 5ws8 by Molmil
Pyruvate kinase (PYK) from Mycobacterium tuberculosis in complex with Oxalate
分子名称: MAGNESIUM ION, OXALATE ION, Pyruvate kinase
著者Zhong, W, Cai, Q, El Sahili, A, Lescar, J, Dedon, P.C.
登録日2016-12-06
公開日2017-11-15
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献Allosteric pyruvate kinase-based "logic gate" synergistically senses energy and sugar levels in Mycobacterium tuberculosis.
Nat Commun, 8, 2017
5WRP
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T-state crystal structure of pyruvate kinase from Mycobacterium tuberculosis
分子名称: PHOSPHATE ION, Pyruvate kinase
著者Zhong, W, Cai, Q, El Sahili, A, Lescar, J, Dedon, P.C.
登録日2016-12-02
公開日2017-11-15
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Allosteric pyruvate kinase-based "logic gate" synergistically senses energy and sugar levels in Mycobacterium tuberculosis.
Nat Commun, 8, 2017
5WSB
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BU of 5wsb by Molmil
Pyruvate kinase (PYK) from Mycobacterium tuberculosis in complex with Oxalate, allosteric activators AMP and Glucose 6-Phosphate
分子名称: 6-O-phosphono-alpha-D-glucopyranose, ADENOSINE MONOPHOSPHATE, MAGNESIUM ION, ...
著者Zhong, W, Cai, Q, El Sahili, A, Lescar, J, Dedon, P.C.
登録日2016-12-06
公開日2017-11-15
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Allosteric pyruvate kinase-based "logic gate" synergistically senses energy and sugar levels in Mycobacterium tuberculosis.
Nat Commun, 8, 2017
5WSC
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BU of 5wsc by Molmil
Crystal of pyruvate kinase (PYK) from Mycobacterium tuberculosis in complex with Oxalate, soaked with allosteric activators AMP and Glucose 6-Phosphate
分子名称: 6-O-phosphono-alpha-D-glucopyranose, ADENOSINE MONOPHOSPHATE, MAGNESIUM ION, ...
著者Zhong, W, Cai, Q, El Sahili, A, Lescar, J, Dedon, P.C.
登録日2016-12-06
公開日2017-11-15
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Allosteric pyruvate kinase-based "logic gate" synergistically senses energy and sugar levels in Mycobacterium tuberculosis.
Nat Commun, 8, 2017
5WS9
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BU of 5ws9 by Molmil
Pyruvate kinase (PYK) from Mycobacterium tuberculosis in complex with Oxalate, ATP and allosteric activator AMP
分子名称: ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Zhong, W, Cai, Q, El Sahili, A, Lescar, J, Dedon, P.C.
登録日2016-12-06
公開日2017-11-15
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Allosteric pyruvate kinase-based "logic gate" synergistically senses energy and sugar levels in Mycobacterium tuberculosis.
Nat Commun, 8, 2017
6ITO
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BU of 6ito by Molmil
Crystal structure of pyruvate kinase (PYK) from Mycobacterium tuberculosis in complex with Oxalate, AMP and inhibitor Ribose 5-Phosphate
分子名称: ADENOSINE MONOPHOSPHATE, MAGNESIUM ION, OXALATE ION, ...
著者Zhong, W, Cai, Q, El Sahili, A, Mu, Y, Lescar, J, Dedon, P.C.
登録日2018-11-24
公開日2019-08-14
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Pyruvate Kinase Regulates the Pentose-Phosphate Pathway in Response to Hypoxia in Mycobacterium tuberculosis.
J.Mol.Biol., 431, 2019
5WSA
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BU of 5wsa by Molmil
Pyruvate kinase (PYK) from Mycobacterium tuberculosis in complex with Oxalate and allosteric activator Glucose 6-Phosphate
分子名称: 6-O-phosphono-alpha-D-glucopyranose, MAGNESIUM ION, OXALATE ION, ...
著者Zhong, W, Cai, Q, El Sahili, A, Lescar, J, Dedon, P.C.
登録日2016-12-06
公開日2017-11-15
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Allosteric pyruvate kinase-based "logic gate" synergistically senses energy and sugar levels in Mycobacterium tuberculosis.
Nat Commun, 8, 2017
6KSH
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BU of 6ksh by Molmil
Crystal structure of pyruvate kinase (PYK) from Plasmodium falciparum in complex with oxalate and ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, OXALATE ION, ...
著者Zhong, W, Cai, Q, Li, K, Lescar, J, Dedon, P.C.
登録日2019-08-23
公開日2020-08-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Pyruvate kinase from Plasmodium falciparum: Structural and kinetic insights into the allosteric mechanism.
Biochem.Biophys.Res.Commun., 532, 2020
6SU2
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BU of 6su2 by Molmil
Trypanosoma congolense pyruvate kinase in complex with citrate and glycerol
分子名称: 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, Pyruvate kinase
著者Sterckx, Y.G.-J, Pinto Torres, J.E.
登録日2019-09-12
公開日2020-03-04
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural and kinetic characterization of Trypanosoma congolense pyruvate kinase.
Mol.Biochem.Parasitol., 236, 2020
6SU1
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Trypanosoma congolense pyruvate kinase in complex with citrate and glycerol
分子名称: CITRIC ACID, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Sterckx, Y.G.-J, Pinto Torres, J.E.
登録日2019-09-12
公開日2020-03-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural and kinetic characterization of Trypanosoma congolense pyruvate kinase.
Mol.Biochem.Parasitol., 236, 2020
1MIL
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BU of 1mil by Molmil
TRANSFORMING PROTEIN
分子名称: SHC ADAPTOR PROTEIN
著者Mikol, V.
登録日1995-09-20
公開日1996-11-08
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure of the SH2 domain from the adaptor protein SHC: a model for peptide binding based on X-ray and NMR data.
J.Mol.Biol., 254, 1995
1MIK
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BU of 1mik by Molmil
THE ROLE OF WATER MOLECULES IN THE STRUCTURE-BASED DESIGN OF (5-HYDROXYNORVALINE)-2-CYCLOSPORIN: SYNTHESIS, BIOLOGICAL ACTIVITY, AND CRYSTALLOGRAPHIC ANALYSIS WITH CYCLOPHILIN A
分子名称: CYCLOSPORIN A, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A
著者Mikol, V.
登録日1995-09-20
公開日1996-03-08
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献The Role of Water Molecules in the Structure-Based Design of (5-Hydroxynorvaline)-2-Cyclosporin: Synthesis, Biological Activity, and Crystallographic Analysis with Cyclophilin A.
J.Med.Chem., 38, 1995
5NOW
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BU of 5now by Molmil
Structure of cyclophilin A in complex with pyridine-3,4-diamine
分子名称: Peptidyl-prolyl cis-trans isomerase A, pyridine-3,4-diamine
著者Georgiou, C, Mcnae, I.W, Ioannidis, H, Julien, M, Walkinshaw, M.D.
登録日2017-04-13
公開日2017-07-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Pushing the Limits of Detection of Weak Binding Using Fragment-Based Drug Discovery: Identification of New Cyclophilin Binders.
J. Mol. Biol., 429, 2017
5NOV
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BU of 5nov by Molmil
Structure of cyclophilin A in complex with hexahydropyrimidine-2-thione
分子名称: 1,3-diazinane-2-thione, Peptidyl-prolyl cis-trans isomerase A
著者Georgiou, C, Mcnae, I.W, Ioannidis, H, Julien, M, Walkinshaw, M.D.
登録日2017-04-13
公開日2017-07-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Pushing the Limits of Detection of Weak Binding Using Fragment-Based Drug Discovery: Identification of New Cyclophilin Binders.
J. Mol. Biol., 429, 2017
5NOZ
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BU of 5noz by Molmil
Structure of cyclophilin A in complex with 3,4-diaminobenzohydrazide
分子名称: 3,4-bis(azanyl)benzohydrazide, Peptidyl-prolyl cis-trans isomerase A
著者Georgiou, C, Mcnae, I.W, Ioannidis, H, Julien, M, Walkinshaw, M.D.
登録日2017-04-13
公開日2017-07-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Pushing the Limits of Detection of Weak Binding Using Fragment-Based Drug Discovery: Identification of New Cyclophilin Binders.
J. Mol. Biol., 429, 2017

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