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5EOT
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BU of 5eot by Molmil
Structure of HLA-A2:01 with peptide G13E
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, A-2 alpha chain, ...
Authors:Zajonc, D.M, Remesh, S.G.
Deposit date:2015-11-10
Release date:2016-12-07
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Unconventional Peptide Presentation by Major Histocompatibility Complex (MHC) Class I Allele HLA-A*02:01: BREAKING CONFINEMENT.
J. Biol. Chem., 292, 2017
5ENW
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BU of 5enw by Molmil
Structure of HLA-A2:01 with peptide G9L
Descriptor: Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ...
Authors:Remesh, S.G, Zajonc, D.M.
Deposit date:2015-11-09
Release date:2016-11-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Unconventional Peptide Presentation by Major Histocompatibility Complex (MHC) Class I Allele HLA-A*02:01: BREAKING CONFINEMENT.
J. Biol. Chem., 292, 2017
6UQC
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BU of 6uqc by Molmil
Mouse IgG2a Bispecific Fc
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Wang, F, Tsai, J.C, Davis, J.H, West, S.M, Strop, P.
Deposit date:2019-10-18
Release date:2020-01-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Design and characterization of mouse IgG1 and IgG2a bispecific antibodies for use in syngeneic models.
Mabs, 12, 2019
8TPV
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BU of 8tpv by Molmil
Structure of human hypoxanthine guanine phosphoribzosyltransferase in complex with [2S,4R]-4-Guanin-9-yl-2-(2-phosphonoethoxymethyl)-1-N-(3-phosphonopropionyl)pyrrolidine
Descriptor: (3-{(2S,4R)-4-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-[(2-phosphonoethoxy)methyl]pyrrolidin-1-yl}-3-oxopropyl)phosphonic acid, Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION
Authors:Guddat, L.W.
Deposit date:2023-08-05
Release date:2024-05-08
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Development of Prolinol Containing Inhibitors of Hypoxanthine-Guanine-Xanthine Phosphoribosyltransferase: Rational Structure-Based Drug Design.
J.Med.Chem., 67, 2024
8TPY
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BU of 8tpy by Molmil
Structure of human hypoxanthine guanine phosphoribzosyltransferase in complex with [2S,4R] 4-Guanin-9-yl-2-hydroxymethyl-1-N-(3-phosphonopropionyl)pyrrolidine
Descriptor: Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION, {3-[(2S,4R)-4-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-oxopropyl}phosphonic acid
Authors:Guddat, L.W.
Deposit date:2023-08-06
Release date:2024-05-08
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Development of Prolinol Containing Inhibitors of Hypoxanthine-Guanine-Xanthine Phosphoribosyltransferase: Rational Structure-Based Drug Design.
J.Med.Chem., 67, 2024
8TS4
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BU of 8ts4 by Molmil
Crystal structure of T. Brucei hypoxanthine guanine phosphoribosyltransferase in complex with [2S,4S]-4-Guanin-9-yl-2-(2-phosphonoethoxymethyl)-1-N-(3-phosphonopropionyl)pyrrolidine
Descriptor: (3-{(2S,4S)-4-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-[(2-phosphonoethoxy)methyl]pyrrolidin-1-yl}-3-oxopropyl)phosphonic acid, Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION
Authors:Guddat, L.W, Guddat, L.W.
Deposit date:2023-08-10
Release date:2024-05-08
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Development of Prolinol Containing Inhibitors of Hypoxanthine-Guanine-Xanthine Phosphoribosyltransferase: Rational Structure-Based Drug Design.
J.Med.Chem., 67, 2024
8TR1
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BU of 8tr1 by Molmil
Crystal structure of trypanosome brucei hypoxanthine guanine phosphopribosyltransferase in complex with [2S,4R]-4-Guanin-9-yl-2-(2- phosphonoethoxymethyl)-1-N-(3-phosphonopropionyl)pyrrolidine
Descriptor: (3-{(2S,4R)-4-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-[(2-phosphonoethoxy)methyl]pyrrolidin-1-yl}-3-oxopropyl)phosphonic acid, Hypoxanthine-guanine phosphoribosyltransferase
Authors:Guddat, L.W.
Deposit date:2023-08-09
Release date:2024-05-08
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Development of Prolinol Containing Inhibitors of Hypoxanthine-Guanine-Xanthine Phosphoribosyltransferase: Rational Structure-Based Drug Design.
J.Med.Chem., 67, 2024
8UQ2
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BU of 8uq2 by Molmil
Structure of human RyR2-S2808D in the subprimed state
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine receptor 2, ...
Authors:Miotto, M.C, Marks, A.R.
Deposit date:2023-10-23
Release date:2023-11-15
Last modified:2024-10-02
Method:ELECTRON MICROSCOPY (2.98 Å)
Cite:Structural basis for ryanodine receptor type 2 leak in heart failure and arrhythmogenic disorders.
Nat Commun, 15, 2024
8UQ3
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BU of 8uq3 by Molmil
Structure of human RyR2-S2808D in the closed state in the presence of ARM210
Descriptor: 4-[(7-methoxy-2,3-dihydro-1,4-benzothiazepin-4(5H)-yl)methyl]benzoic acid, ADENOSINE-5'-TRIPHOSPHATE, Peptidyl-prolyl cis-trans isomerase FKBP1B, ...
Authors:Miotto, M.C, Marks, A.R.
Deposit date:2023-10-23
Release date:2023-11-15
Last modified:2024-10-02
Method:ELECTRON MICROSCOPY (3.18 Å)
Cite:Structural basis for ryanodine receptor type 2 leak in heart failure and arrhythmogenic disorders.
Nat Commun, 15, 2024
8UQ4
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BU of 8uq4 by Molmil
Structure of human RyR2-S2808D in the subprimed state in the presence of H2O2/NOC-12/GSH
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine receptor 2, ...
Authors:Miotto, M.C, Marks, A.R.
Deposit date:2023-10-23
Release date:2023-11-15
Last modified:2024-10-02
Method:ELECTRON MICROSCOPY (3.64 Å)
Cite:Structural basis for ryanodine receptor type 2 leak in heart failure and arrhythmogenic disorders.
Nat Commun, 15, 2024
8UQ5
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BU of 8uq5 by Molmil
Structure of human RyR2-S2808D in the primed state in the presence of Rapamycin
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Ryanodine receptor 2, ZINC ION
Authors:Miotto, M.C, Marks, A.R.
Deposit date:2023-10-23
Release date:2023-11-15
Last modified:2024-10-02
Method:ELECTRON MICROSCOPY (3.96 Å)
Cite:Structural basis for ryanodine receptor type 2 leak in heart failure and arrhythmogenic disorders.
Nat Commun, 15, 2024
8UXE
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BU of 8uxe by Molmil
Structure of PKA phosphorylated human RyR2-R420Q in the closed state in the presence of ARM210
Descriptor: 4-[(7-methoxy-2,3-dihydro-1,4-benzothiazepin-4(5H)-yl)methyl]benzoic acid, ADENOSINE-5'-TRIPHOSPHATE, Peptidyl-prolyl cis-trans isomerase FKBP1B, ...
Authors:Miotto, M.C, Marks, A.R.
Deposit date:2023-11-09
Release date:2023-11-22
Last modified:2024-10-02
Method:ELECTRON MICROSCOPY (3.53 Å)
Cite:Structural basis for ryanodine receptor type 2 leak in heart failure and arrhythmogenic disorders.
Nat Commun, 15, 2024
8UXC
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BU of 8uxc by Molmil
Structure of PKA phosphorylated human RyR2-R420Q in the primed state
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine receptor 2, ...
Authors:Miotto, M.C, Marks, A.R.
Deposit date:2023-11-09
Release date:2023-11-22
Last modified:2024-10-02
Method:ELECTRON MICROSCOPY (2.86 Å)
Cite:Structural basis for ryanodine receptor type 2 leak in heart failure and arrhythmogenic disorders.
Nat Commun, 15, 2024
8UXG
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BU of 8uxg by Molmil
Structure of PKA phosphorylated human RyR2-R420W in the closed state in the presence of ARM210
Descriptor: 4-[(7-methoxy-2,3-dihydro-1,4-benzothiazepin-4(5H)-yl)methyl]benzoic acid, ADENOSINE-5'-TRIPHOSPHATE, Peptidyl-prolyl cis-trans isomerase FKBP1B, ...
Authors:Miotto, M.C, Marks, A.R.
Deposit date:2023-11-09
Release date:2023-11-22
Last modified:2024-10-02
Method:ELECTRON MICROSCOPY (3.08 Å)
Cite:Structural basis for ryanodine receptor type 2 leak in heart failure and arrhythmogenic disorders.
Nat Commun, 15, 2024
8UXH
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BU of 8uxh by Molmil
Structure of PKA phosphorylated human RyR2-R420W in the primed state in the presence of calcium
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, Peptidyl-prolyl cis-trans isomerase FKBP1B, ...
Authors:Miotto, M.C, Marks, A.R.
Deposit date:2023-11-09
Release date:2023-11-22
Last modified:2024-10-02
Method:ELECTRON MICROSCOPY (3.52 Å)
Cite:Structural basis for ryanodine receptor type 2 leak in heart failure and arrhythmogenic disorders.
Nat Commun, 15, 2024
8UXF
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BU of 8uxf by Molmil
Structure of PKA phosphorylated human RyR2-R420W in the primed state
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine receptor 2, ...
Authors:Miotto, M.C, Marks, A.R.
Deposit date:2023-11-09
Release date:2023-11-22
Last modified:2024-10-02
Method:ELECTRON MICROSCOPY (3.13 Å)
Cite:Structural basis for ryanodine receptor type 2 leak in heart failure and arrhythmogenic disorders.
Nat Commun, 15, 2024
8UXL
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BU of 8uxl by Molmil
Structure of PKA phosphorylated human RyR2-R420W in the primed state in the presence of calcium and calmodulin
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, Calmodulin-1, ...
Authors:Miotto, M.C, Marks, A.R.
Deposit date:2023-11-09
Release date:2023-11-22
Last modified:2024-10-02
Method:ELECTRON MICROSCOPY (3.12 Å)
Cite:Structural basis for ryanodine receptor type 2 leak in heart failure and arrhythmogenic disorders.
Nat Commun, 15, 2024
8UXI
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BU of 8uxi by Molmil
Structure of PKA phosphorylated human RyR2-R420W in the open state in the presence of calcium
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, Peptidyl-prolyl cis-trans isomerase FKBP1B, ...
Authors:Miotto, M.C, Marks, A.R.
Deposit date:2023-11-09
Release date:2023-11-22
Last modified:2024-10-02
Method:ELECTRON MICROSCOPY (3.29 Å)
Cite:Structural basis for ryanodine receptor type 2 leak in heart failure and arrhythmogenic disorders.
Nat Commun, 15, 2024
8UXM
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BU of 8uxm by Molmil
Structure of PKA phosphorylated human RyR2-R420W in the open state in the presence of calcium and calmodulin
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, Calmodulin-1, ...
Authors:Miotto, M.C, Marks, A.R.
Deposit date:2023-11-09
Release date:2023-11-22
Last modified:2024-10-02
Method:ELECTRON MICROSCOPY (3.56 Å)
Cite:Structural basis for ryanodine receptor type 2 leak in heart failure and arrhythmogenic disorders.
Nat Commun, 15, 2024
4UZD
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BU of 4uzd by Molmil
SAR156497 an exquisitely selective inhibitor of Aurora kinases
Descriptor: AURORA KINASE A, ethyl (9S)-9-[3-(1H-benzimidazol-2-yloxy)phenyl]-8-oxo-4,5,6,7,8,9-hexahydro-2H-pyrrolo[3,4-b]quinoline-3-carboxylate
Authors:Pouzieux, S, Delarbre, L, Crenne, J.Y.
Deposit date:2014-09-05
Release date:2014-11-19
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Sar156497 an Exquisitely Selective Inhibitor of Aurora Kinases.
J.Med.Chem., 58, 2015
4UZH
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BU of 4uzh by Molmil
SAR156497 an exquisitely selective inhibitor of Aurora kinases
Descriptor: (4S)-4-(2-fluorophenyl)-2,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b][1,7]naphthyridin-5-one, AURORA 2 KINASE DOMAIN
Authors:Pouzieux, S, Maignan, S, Crenne, J.Y.
Deposit date:2014-09-05
Release date:2014-11-19
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Sar156497 an Exquisitely Selective Inhibitor of Aurora Kinases.
J.Med.Chem., 58, 2015
6Q74
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BU of 6q74 by Molmil
PI3K delta in complex with 1benzylN[5(3,6dihydro2Hpyran4yl)2methoxypyridin3yl]2methyl1Himidazole4sulfonamide
Descriptor: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, ~{N}-[5-(3,6-dihydro-2~{H}-pyran-4-yl)-2-methoxy-pyridin-3-yl]-2-methyl-1-(phenylmethyl)imidazole-4-sulfonamide
Authors:Convery, M.A, Rowland, P, Down, K, Barton, N.
Deposit date:2018-12-12
Release date:2018-12-26
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Discovery of Potent, Efficient, and Selective Inhibitors of Phosphoinositide 3-Kinase delta through a Deconstruction and Regrowth Approach.
J.Med.Chem., 61, 2018
6Q6Y
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BU of 6q6y by Molmil
PI3K delta in complex with N(2chloro5phenylpyridin3yl)benzenesulfonamide
Descriptor: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, ~{N}-(2-chloranyl-5-phenyl-pyridin-3-yl)benzenesulfonamide
Authors:Convery, M.A, Rowland, P, Down, K, Barton, N.
Deposit date:2018-12-12
Release date:2018-12-26
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Discovery of Potent, Efficient, and Selective Inhibitors of Phosphoinositide 3-Kinase delta through a Deconstruction and Regrowth Approach.
J.Med.Chem., 61, 2018
6Q73
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BU of 6q73 by Molmil
PI3K delta in complex with N[2chloro5(3,6dihydro2Hpyran4yl)pyridin3yl]methanesulfonamide
Descriptor: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, ~{N}-[2-chloranyl-5-(3,6-dihydro-2~{H}-pyran-4-yl)pyridin-3-yl]methanesulfonamide
Authors:Convery, M.A, Rowland, P, Down, K, Barton, N.
Deposit date:2018-12-12
Release date:2018-12-26
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Discovery of Potent, Efficient, and Selective Inhibitors of Phosphoinositide 3-Kinase delta through a Deconstruction and Regrowth Approach.
J.Med.Chem., 61, 2018
5L72
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BU of 5l72 by Molmil
PI3 kinase delta in complex with N-[6-(5-methanesulfonamido-6-methoxypyridin-3-yl)-1,3-dihydro-2-benzofuran-4-yl]-2-(morpholin-4-yl)acetamide
Descriptor: N-[6-(5-methanesulfonamido-6-methoxypyridin-3-yl)-1,3-dihydro-2-benzofuran-4-yl]-2-(morpholin-4-yl)acetamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
Authors:Rowland, P.
Deposit date:2016-06-01
Release date:2016-07-27
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (3.06 Å)
Cite:Evolution of a Novel, Orally Bioavailable Series of PI3K delta Inhibitors from an Inhaled Lead for the Treatment of Respiratory Disease.
J.Med.Chem., 59, 2016

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数据于2024-10-09公开中

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