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7PC9
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BU of 7pc9 by Molmil
The PDZ domain of SYNJ2BP complexed with the PDZ-binding motif of HTLV1-TAX1
Descriptor: CALCIUM ION, Protein Tax-1, Synaptojanin-2-binding protein,Annexin A2
Authors:Cousido-Siah, A, Trave, G, Gogl, G.
Deposit date:2021-08-03
Release date:2022-04-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A scalable strategy to solve structures of PDZ domains and their complexes.
Acta Crystallogr D Struct Biol, 78, 2022
7PC3
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BU of 7pc3 by Molmil
The second PDZ domain of DLG1 complexed with the PDZ-binding motif of HTLV1-TAX1
Descriptor: CALCIUM ION, Disks large homolog 1,Annexin A2, GLYCEROL, ...
Authors:Cousido-Siah, A, Trave, G, Gogl, G.
Deposit date:2021-08-03
Release date:2022-04-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:A scalable strategy to solve structures of PDZ domains and their complexes.
Acta Crystallogr D Struct Biol, 78, 2022
7PC4
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BU of 7pc4 by Molmil
The PDZ domain of SNTB1 complexed with the PDZ-binding motif of HTLV1-TAX1
Descriptor: 1,2-ETHANEDIOL, Beta-1-syntrophin,Annexin A2, CALCIUM ION, ...
Authors:Cousido-Siah, A, Trave, G, Gogl, G.
Deposit date:2021-08-03
Release date:2022-04-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A scalable strategy to solve structures of PDZ domains and their complexes.
Acta Crystallogr D Struct Biol, 78, 2022
2OS8
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BU of 2os8 by Molmil
Rigor-like structures of muscle myosins reveal key mechanical elements in the transduction pathways of this allosteric motor
Descriptor: CALCIUM ION, MAGNESIUM ION, Myosin essential light chain, ...
Authors:Yang, Y, Gourinath, S, Cohen, C, Brown, J.H.
Deposit date:2007-02-05
Release date:2007-05-29
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.27 Å)
Cite:Rigor-like Structures from Muscle Myosins Reveal Key Mechanical Elements in the Transduction Pathways of This Allosteric Motor.
Structure, 15, 2007
6TWY
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BU of 6twy by Molmil
MAGI1_2 complexed with a phosphomimetic RSK1 peptide
Descriptor: CALCIUM ION, CITRIC ACID, GLYCEROL, ...
Authors:Gogl, G, Cousido-Siah, A, Trave, G.
Deposit date:2020-01-13
Release date:2020-04-01
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Dual Specificity PDZ- and 14-3-3-Binding Motifs: A Structural and Interactomics Study.
Structure, 28, 2020
6TWU
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BU of 6twu by Molmil
MAGI1_2 complexed with a phosphomimetic 16E6 peptide
Descriptor: CALCIUM ION, CITRIC ACID, GLYCEROL, ...
Authors:Gogl, G, Cousido-Siah, A, Trave, G.
Deposit date:2020-01-13
Release date:2020-04-01
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Dual Specificity PDZ- and 14-3-3-Binding Motifs: A Structural and Interactomics Study.
Structure, 28, 2020
6TWQ
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BU of 6twq by Molmil
MAGI1_2 complexed with a 16E6 peptide
Descriptor: CALCIUM ION, CITRIC ACID, GLYCEROL, ...
Authors:Gogl, G, Cousido-Siah, A, Trave, G.
Deposit date:2020-01-13
Release date:2020-04-01
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Dual Specificity PDZ- and 14-3-3-Binding Motifs: A Structural and Interactomics Study.
Structure, 28, 2020
7QVJ
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BU of 7qvj by Molmil
ESTROGEN RECEPTOR ALPHA IN COMPLEX WITH COMPOUND 29
Descriptor: 2,2-bis(fluoranyl)-3-[(1~{R},3~{R})-1-[6-fluoranyl-3-[2-(3-fluoranylpropylamino)ethoxy]-2-methyl-phenyl]-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]propan-1-ol, Estrogen receptor
Authors:Breed, J.
Deposit date:2022-01-21
Release date:2023-02-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Discovery of a Potent and Orally Bioavailable Zwitterionic Series of Selective Estrogen Receptor Degrader-Antagonists.
J.Med.Chem., 66, 2023
7QVL
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BU of 7qvl by Molmil
OESTROGEN RECEPTOR LIGAND BINDING DOMAIN IN COMPLEX WITH COMPOUND 38
Descriptor: (2~{R})-3-[(1~{R},3~{R})-1-[5-fluoranyl-2-[2-(3-fluoranylpropylamino)ethoxy]-3-methyl-pyridin-4-yl]-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-methyl-propanoic acid, Estrogen receptor
Authors:Breed, J.
Deposit date:2022-01-21
Release date:2023-02-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of a Potent and Orally Bioavailable Zwitterionic Series of Selective Estrogen Receptor Degrader-Antagonists.
J.Med.Chem., 66, 2023
6TWX
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BU of 6twx by Molmil
MAGI1_2 complexed with a phosphorylated 16E6 peptide
Descriptor: 16E6 peptide, CALCIUM ION, CITRIC ACID, ...
Authors:Gogl, G, Cousido-Siah, A, Trave, G.
Deposit date:2020-01-13
Release date:2020-04-01
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Dual Specificity PDZ- and 14-3-3-Binding Motifs: A Structural and Interactomics Study.
Structure, 28, 2020
6TWZ
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BU of 6twz by Molmil
14-3-3 sigma complexed with a phosphorylated 16E6 peptide
Descriptor: 14-3-3 protein sigma, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, D(-)-TARTARIC ACID, ...
Authors:Gogl, G, Cousido-Siah, A, Sluchanko, N.N, Trave, G.
Deposit date:2020-01-13
Release date:2020-05-06
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Dual Specificity PDZ- and 14-3-3-Binding Motifs: A Structural and Interactomics Study.
Structure, 28, 2020
5BMS
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BU of 5bms by Molmil
Crystal structure of P21-activated kinase 4 in complex with an inhibitor compound 29
Descriptor: N~2~-[(7-chloro-1H-benzimidazol-6-yl)methyl]-N~4~-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine, Serine/threonine-protein kinase PAK 4
Authors:Rouge, L, Wang, W.
Deposit date:2015-05-22
Release date:2015-07-01
Last modified:2015-07-15
Method:X-RAY DIFFRACTION (2.903 Å)
Cite:Structure-Guided Design of Group I Selective p21-Activated Kinase Inhibitors.
J.Med.Chem., 58, 2015
5V9P
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BU of 5v9p by Molmil
Crystal structure of pyrrolidine amide inhibitor [(3S)-3-(4-bromo-1H-pyrazol-1-yl)pyrrolidin-1-yl][3-(propan-2-yl)-1H-pyrazol-5-yl]methanone (compound 35) in complex with KDM5A
Descriptor: Lysine-specific demethylase 5A, NICKEL (II) ION, SULFATE ION, ...
Authors:Kiefer, J.R, Liang, J, Vinogradova, M.
Deposit date:2017-03-23
Release date:2017-05-10
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3 Å)
Cite:From a novel HTS hit to potent, selective, and orally bioavailable KDM5 inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
4ZY6
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BU of 4zy6 by Molmil
Crystal structure of P21-activated kinase 1 in complex with an inhibitor compound 29
Descriptor: N~2~-[(7-chloro-1H-benzimidazol-6-yl)methyl]-N~4~-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine, SULFATE ION, Serine/threonine-protein kinase PAK 1
Authors:Rouge, L, Wang, W.
Deposit date:2015-05-21
Release date:2015-07-01
Last modified:2015-12-16
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structure-Guided Design of Group I Selective p21-Activated Kinase Inhibitors.
J.Med.Chem., 58, 2015
4ZY5
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BU of 4zy5 by Molmil
Crystal Structure of p21-activated kinase 1 in complex with an inhibitor compound 17
Descriptor: DIMETHYL SULFOXIDE, N~2~-[(trans-4-aminocyclohexyl)methyl]-N~4~-(3-cyclopropyl-1H-pyrazol-5-yl)pyrimidine-2,4-diamine, SULFATE ION, ...
Authors:Rouge, L, Wang, W.
Deposit date:2015-05-21
Release date:2015-07-01
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structure-Guided Design of Group I Selective p21-Activated Kinase Inhibitors.
J.Med.Chem., 58, 2015
5V9T
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BU of 5v9t by Molmil
Crystal structure of selective pyrrolidine amide KDM5a inhibitor N-{(3R)-1-[3-(propan-2-yl)-1H-pyrazole-5-carbonyl]pyrrolidin-3-yl}cyclopropanecarboxamide (compound 48)
Descriptor: Lysine-specific demethylase 5A, N-{(3R)-1-[3-(propan-2-yl)-1H-pyrazole-5-carbonyl]pyrrolidin-3-yl}cyclopropanecarboxamide, NICKEL (II) ION, ...
Authors:Kiefer, J.R, Liang, J, Vinogradova, M.
Deposit date:2017-03-23
Release date:2017-05-10
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:From a novel HTS hit to potent, selective, and orally bioavailable KDM5 inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
2EC6
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BU of 2ec6 by Molmil
Placopecten Striated Muscle Myosin II
Descriptor: CALCIUM ION, Myosin essential light chain, Myosin heavy chain, ...
Authors:Yang, Y, Brown, J, Samudrala, G, Reutzel, R, Szent-Gyorgyi, A.
Deposit date:2007-02-10
Release date:2008-02-26
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Rigor-like structures from muscle myosins reveal key mechanical elements in the transduction pathways of this allosteric motor.
Structure, 15, 2007
4ZY4
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BU of 4zy4 by Molmil
Crystal structure of P21 activated kinase 1 in complex with an inhibitor compound 4
Descriptor: 2-(4-aminopiperidin-1-yl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine, DIMETHYL SULFOXIDE, SULFATE ION, ...
Authors:Rouge, R, Wang, W.
Deposit date:2015-05-21
Release date:2015-07-01
Last modified:2015-07-15
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure-Guided Design of Group I Selective p21-Activated Kinase Inhibitors.
J.Med.Chem., 58, 2015
6TVZ
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BU of 6tvz by Molmil
Structure of a psychrophilic CCA-adding enzyme crystallized in the XtalController device
Descriptor: ACETATE ION, CCA-adding enzyme, GLYCEROL, ...
Authors:de Wijn, R, Rollet, K, Coudray, L, Hennig, O, Betat, H, Moerl, M, Lorber, B, Sauter, C.
Deposit date:2020-01-10
Release date:2020-12-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Monitoring the Production of High Diffraction-Quality Crystals of Two Enzymes in Real Time Using In Situ Dynamic Light Scattering
Crystals, 2020
6TVY
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BU of 6tvy by Molmil
Structure of hen egg white lysozyme crystallized in the presence of Tb-Xo4 crystallophore in the XtalController device
Descriptor: CHLORIDE ION, Lysozyme C, SODIUM ION, ...
Authors:de Wijn, R, Rollet, K, Coudray, L, McEwen, A.G, Lorber, B, Sauter, C.
Deposit date:2020-01-10
Release date:2020-12-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Monitoring the Production of High Diffraction-Quality Crystals of Two Enzymes in Real Time Using In Situ Dynamic Light Scattering
Crystals, 2020
1WDC
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BU of 1wdc by Molmil
SCALLOP MYOSIN REGULATORY DOMAIN
Descriptor: CALCIUM ION, MAGNESIUM ION, SCALLOP MYOSIN
Authors:Houdusse, A, Cohen, C.
Deposit date:1996-01-19
Release date:1996-07-11
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of the regulatory domain of scallop myosin at 2 A resolution: implications for regulation.
Structure, 4, 1996
4LNN
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BU of 4lnn by Molmil
B. subtilis glutamine synthetase structures reveal large active site conformational changes and basis for isoenzyme specific regulation: structure of apo form of GS
Descriptor: Glutamine synthetase, MAGNESIUM ION, SULFATE ION
Authors:Schumacher, M.A, Chinnam, N, Tonthat, N, Fisher, S, Wray, L.
Deposit date:2013-07-11
Release date:2013-11-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structures of the Bacillus subtilis Glutamine Synthetase Dodecamer Reveal Large Intersubunit Catalytic Conformational Changes Linked to a Unique Feedback Inhibition Mechanism.
J.Biol.Chem., 288, 2013
4LNO
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BU of 4lno by Molmil
B. subtilis glutamine synthetase structures reveal large active site conformational changes and basis for isoenzyme specific regulation: form two of GS-1
Descriptor: GLUTAMINE, Glutamine synthetase, MAGNESIUM ION
Authors:Schumacher, M.A, Chinnam, N, Tonthat, N, Fisher, S, Wray, L.
Deposit date:2013-07-11
Release date:2013-11-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structures of the Bacillus subtilis Glutamine Synthetase Dodecamer Reveal Large Intersubunit Catalytic Conformational Changes Linked to a Unique Feedback Inhibition Mechanism.
J.Biol.Chem., 288, 2013
4LNI
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BU of 4lni by Molmil
B. subtilis glutamine synthetase structures reveal large active site conformational changes and basis for isoenzyme specific regulation: structure of the transition state complex
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Glutamine synthetase, L-METHIONINE-S-SULFOXIMINE PHOSPHATE, ...
Authors:Schumacher, M.A, Chinnam, N, Tonthat, N, Fisher, S, Wray, L.
Deposit date:2013-07-11
Release date:2013-11-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.5793 Å)
Cite:Structures of the Bacillus subtilis Glutamine Synthetase Dodecamer Reveal Large Intersubunit Catalytic Conformational Changes Linked to a Unique Feedback Inhibition Mechanism.
J.Biol.Chem., 288, 2013
4LNK
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BU of 4lnk by Molmil
B. subtilis glutamine synthetase structures reveal large active site conformational changes and basis for isoenzyme specific regulation: structure of GS-glutamate-AMPPCP complex
Descriptor: ADENOSINE-5'-DIPHOSPHATE, GLUTAMIC ACID, Glutamine synthetase, ...
Authors:Schumacher, M.A, Chinnam, N, Tonthat, N, Fisher, S, Wray, L.
Deposit date:2013-07-11
Release date:2013-10-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.87 Å)
Cite:Structures of the Bacillus subtilis Glutamine Synthetase Dodecamer Reveal Large Intersubunit Catalytic Conformational Changes Linked to a Unique Feedback Inhibition Mechanism.
J.Biol.Chem., 288, 2013

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数据于2024-10-16公开中

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