8JCC
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8JCD
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8JBX
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6POJ
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1I2Z
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![BU of 1i2z by Molmil](/molmil-images/mine/1i2z) | E. COLI ENOYL REDUCTASE IN COMPLEX WITH NAD AND BRL-12654 | Descriptor: | 4-(2-THIENYL)-1-(4-METHYLBENZYL)-1H-IMIDAZOLE, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Heerding, D.A, Miller, W.H, Payne, D.J, Janson, C.A, Qiu, X. | Deposit date: | 2001-02-12 | Release date: | 2002-02-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | 1,4-Disubstituted imidazoles are potential antibacterial agents functioning as inhibitors of enoyl acyl carrier protein
reductase (FabI). Bioorg.Med.Chem.Lett., 11, 2001
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8JNI
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![BU of 8jni by Molmil](/molmil-images/mine/8jni) | Structure of AE2 in complex with PIP2 | Descriptor: | Anion exchange protein 2, CHLORIDE ION, [(2R)-1-octadecanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phospho ryl]oxy-propan-2-yl] (8Z)-icosa-5,8,11,14-tetraenoate | Authors: | Yin, Y.X, Ding, D. | Deposit date: | 2023-06-06 | Release date: | 2024-02-07 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structural and functional insights into the lipid regulation of human anion exchanger 2. Nat Commun, 15, 2024
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8JNJ
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![BU of 8jnj by Molmil](/molmil-images/mine/8jnj) | Structure of R932A/K1147A/H1148A mutant AE2 | Descriptor: | Anion exchange protein 2 | Authors: | Yin, Y.X, Ding, D. | Deposit date: | 2023-06-06 | Release date: | 2024-02-07 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structural and functional insights into the lipid regulation of human anion exchanger 2. Nat Commun, 15, 2024
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6JB1
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![BU of 6jb1 by Molmil](/molmil-images/mine/6jb1) | Structure of pancreatic ATP-sensitive potassium channel bound with repaglinide and ATPgammaS at 3.3A resolution | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, ATP-binding cassette sub-family C member 8 isoform X2, ATP-sensitive inward rectifier potassium channel 11, ... | Authors: | Chen, L, Ding, D, Wang, M, Wu, J.-X, Kang, Y. | Deposit date: | 2019-01-25 | Release date: | 2019-05-22 | Last modified: | 2021-09-29 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | The Structural Basis for the Binding of Repaglinide to the Pancreatic KATPChannel. Cell Rep, 27, 2019
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6JB3
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![BU of 6jb3 by Molmil](/molmil-images/mine/6jb3) | Structure of SUR1 subunit bound with repaglinide | Descriptor: | ATP-binding cassette sub-family C member 8 isoform X2, Digitonin, Repaglinide | Authors: | Chen, L, Ding, D, Wang, M, Wu, J.-X, Kang, Y. | Deposit date: | 2019-01-25 | Release date: | 2019-05-22 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.53 Å) | Cite: | The Structural Basis for the Binding of Repaglinide to the Pancreatic KATPChannel. Cell Rep, 27, 2019
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7Y1J
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![BU of 7y1j by Molmil](/molmil-images/mine/7y1j) | Structure of SUR2A in complex with Mg-ATP and repaglinide in the inward-facing conformation. | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, ATP-binding cassette sub-family C member 9, MAGNESIUM ION, ... | Authors: | Chen, L, Ding, D, Hou, T. | Deposit date: | 2022-06-08 | Release date: | 2023-06-14 | Last modified: | 2023-10-11 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | The inhibition mechanism of the SUR2A-containing K ATP channel by a regulatory helix. Nat Commun, 14, 2023
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7Y1M
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![BU of 7y1m by Molmil](/molmil-images/mine/7y1m) | Structure of SUR2B in complex with Mg-ATP, Mg-ADP, and repaglinide in the inward-facing conformation | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Isoform SUR2B of ATP-binding cassette sub-family C member 9, ... | Authors: | Chen, L, Ding, D, Hou, T. | Deposit date: | 2022-06-08 | Release date: | 2023-06-14 | Last modified: | 2023-10-11 | Method: | ELECTRON MICROSCOPY (3.57 Å) | Cite: | The inhibition mechanism of the SUR2A-containing K ATP channel by a regulatory helix. Nat Commun, 14, 2023
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7Y1N
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![BU of 7y1n by Molmil](/molmil-images/mine/7y1n) | Structure of SUR2B in complex with Mg-ATP, Mg-ADP, and repaglinide in the partially occluded state | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Isoform SUR2B of ATP-binding cassette sub-family C member 9, ... | Authors: | Chen, L, Ding, D, Hou, T. | Deposit date: | 2022-06-08 | Release date: | 2023-06-14 | Last modified: | 2023-10-11 | Method: | ELECTRON MICROSCOPY (3.61 Å) | Cite: | The inhibition mechanism of the SUR2A-containing K ATP channel by a regulatory helix. Nat Commun, 14, 2023
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7VLT
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![BU of 7vlt by Molmil](/molmil-images/mine/7vlt) | Structure of SUR2B in complex with Mg-ATP/ADP and levcromakalim | Descriptor: | (3S,4R)-2,2-dimethyl-3-oxidanyl-4-(2-oxidanylidenepyrrolidin-1-yl)-3,4-dihydrochromene-6-carbonitrile, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ... | Authors: | Chen, L, Ding, D. | Deposit date: | 2021-10-05 | Release date: | 2022-05-18 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural identification of vasodilator binding sites on the SUR2 subunit. Nat Commun, 13, 2022
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7VLR
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![BU of 7vlr by Molmil](/molmil-images/mine/7vlr) | Structure of SUR2B in complex with Mg-ATP/ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, CHOLESTEROL HEMISUCCINATE, ... | Authors: | Chen, L, Ding, D. | Deposit date: | 2021-10-05 | Release date: | 2022-05-18 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structural identification of vasodilator binding sites on the SUR2 subunit. Nat Commun, 13, 2022
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7VLU
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![BU of 7vlu by Molmil](/molmil-images/mine/7vlu) | Structure of SUR2A in complex with Mg-ATP/ADP and P1075 | Descriptor: | 1-cyano-2-(2-methylbutan-2-yl)-3-pyridin-3-yl-guanidine, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ... | Authors: | Chen, L, Ding, D. | Deposit date: | 2021-10-05 | Release date: | 2022-05-18 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structural identification of vasodilator binding sites on the SUR2 subunit. Nat Commun, 13, 2022
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7VLS
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![BU of 7vls by Molmil](/molmil-images/mine/7vls) | Structure of SUR2B in complex with MgATP/ADP and P1075 | Descriptor: | 1-cyano-2-(2-methylbutan-2-yl)-3-pyridin-3-yl-guanidine, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ... | Authors: | Chen, L, Ding, D. | Deposit date: | 2021-10-05 | Release date: | 2022-05-18 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structural identification of vasodilator binding sites on the SUR2 subunit. Nat Commun, 13, 2022
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7Y1L
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![BU of 7y1l by Molmil](/molmil-images/mine/7y1l) | Structure of SUR2B in complex with Mg-ATP and repaglinide in the inward-facing conformation | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Isoform SUR2B of ATP-binding cassette sub-family C member 9, MAGNESIUM ION, ... | Authors: | Chen, L, Ding, D, Hou, T. | Deposit date: | 2022-06-08 | Release date: | 2023-06-14 | Last modified: | 2023-10-11 | Method: | ELECTRON MICROSCOPY (3.73 Å) | Cite: | The inhibition mechanism of the SUR2A-containing K ATP channel by a regulatory helix. Nat Commun, 14, 2023
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7Y1K
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![BU of 7y1k by Molmil](/molmil-images/mine/7y1k) | Structure of SUR2A in complex with Mg-ATP, Mg-ADP and repaglinide in the inward-facing conformation | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP-binding cassette sub-family C member 9, ... | Authors: | Chen, L, Ding, D, Hou, T. | Deposit date: | 2022-06-08 | Release date: | 2023-06-14 | Last modified: | 2023-10-11 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | The inhibition mechanism of the SUR2A-containing K ATP channel by a regulatory helix. Nat Commun, 14, 2023
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5EZR
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![BU of 5ezr by Molmil](/molmil-images/mine/5ezr) | Crystal Structure of PVX_084705 bound to compound | Descriptor: | CHLORIDE ION, N-[5-(3-{2-[(cyclopropylmethyl)amino]pyrimidin-4-yl}-7-[(dimethylamino)methyl]-6-methylimidazo[1,2-a]pyridin-2-yl)-2-fluorophenyl]methanesulfonamide, cGMP-dependent protein kinase, ... | Authors: | El Bakkouri, M, Amani, M, Walker, J.R, Osborne, S, Large, J.M, Birchall, K, Bouloc, N, Smiljanic-Hurley, E, Wheldon, M, Harding, D.J, Merritt, A.T, Ansell, K.H, Coombs, P.J, Kettleborough, C.A, Stewart, B.L, Bowyer, P.W, Gutteridge, W.E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Baker, D.A, Hui, R, Loppnau, P, Structural Genomics Consortium (SGC) | Deposit date: | 2015-11-26 | Release date: | 2017-05-10 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal Structure of PVX_084705 bound to compound To Be Published
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1G5S
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![BU of 1g5s by Molmil](/molmil-images/mine/1g5s) | CRYSTAL STRUCTURE OF HUMAN CYCLIN DEPENDENT KINASE 2 (CDK2) IN COMPLEX WITH THE INHIBITOR H717 | Descriptor: | 2-[TRANS-(4-AMINOCYCLOHEXYL)AMINO]-6-(BENZYL-AMINO)-9-CYCLOPENTYLPURINE, CELL DIVISION PROTEIN KINASE 2 | Authors: | Dreyer, M.K, Borcherding, D.R, Dumont, J.A, Peet, N.P, Tsay, J.T, Wright, P.S, Bitonti, A.J, Shen, J, Kim, S.-H. | Deposit date: | 2000-11-02 | Release date: | 2001-11-02 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Crystal structure of human cyclin-dependent kinase 2 in complex with the adenine-derived inhibitor H717. J.Med.Chem., 44, 2001
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3QCQ
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![BU of 3qcq by Molmil](/molmil-images/mine/3qcq) | Phosphoinositide-Dependent Kinase-1 (PDK1) kinase domain with 6-(3-Amino-1H-indazol-6-yl)-N4-ethyl-2,4-pyrimidinediamine | Descriptor: | 3-phosphoinositide-dependent protein kinase 1, 6-(3-amino-2H-indazol-6-yl)-N~4~-ethylpyrimidine-2,4-diamine, GLYCEROL, ... | Authors: | Medina, J.R, Becker, C.J, Blackledge, C.W, Duquenne, C, Feng, Y, Grant, S.W, Heerding, D, Li, W.H, Miller, W.H, Romeril, S.P, Scherzer, D, Shu, A, Bobko, M.A, Chadderton, A.R, Dumble, M, Gradiner, C.M, Gilbert, S, Liu, Q, Rabindran, S.K, Sudakin, V, Xiang, H, Brady, P.G, Campobasso, N, Ward, P, Axten, J.M. | Deposit date: | 2011-01-17 | Release date: | 2011-03-09 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.501 Å) | Cite: | Structure-Based Design of Potent and Selective 3-Phosphoinositide-Dependent Kinase-1 (PDK1) Inhibitors. J.Med.Chem., 54, 2011
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3QCX
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![BU of 3qcx by Molmil](/molmil-images/mine/3qcx) | Phosphoinositide-Dependent Kinase-1 (PDK1) kinase domain with 6-{2-Amino-6-[(3R)-3-methyl-4-morpholinyl]-4-pyrimidinyl}-1H-indazol-3-amine | Descriptor: | 3-phosphoinositide-dependent protein kinase 1, 6-{2-amino-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl}-2H-indazol-3-amine, GLYCEROL, ... | Authors: | Medina, J.R, Becker, C.J, Blackledge, C.W, Duquenne, C, Feng, Y, Grant, S.W, Heerding, D, Li, W.H, Miller, W.H, Romeril, S.P, Scherzer, D, Shu, A, Bobko, M.A, Chadderton, A.R, Dumble, M, Gradiner, C.M, Gilbert, S, Liu, Q, Rabindran, S.K, Sudakin, V, Xiang, H, Brady, P.G, Campobasso, N, Ward, P, Axten, J.M. | Deposit date: | 2011-01-17 | Release date: | 2011-03-09 | Last modified: | 2011-11-16 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure-Based Design of Potent and Selective 3-Phosphoinositide-Dependent Kinase-1 (PDK1) Inhibitors. J.Med.Chem., 54, 2011
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3QD3
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![BU of 3qd3 by Molmil](/molmil-images/mine/3qd3) | Phosphoinositide-Dependent Kinase-1 (PDK1) kinase domain with 1,1-Dimethylethyl {(3R,6S)-1-[2-amino-6-(3-amino-1H-indazol-6-yl)-4-pyrimidinyl]-6-methyl-3-piperidinyl}carbamate | Descriptor: | 3-phosphoinositide-dependent protein kinase 1, GLYCEROL, SULFATE ION, ... | Authors: | Medina, J.R, Becker, C.J, Blackledge, C.W, Duquenne, C, Feng, Y, Grant, S.W, Heerding, D, Li, W.H, Miller, W.H, Romeril, S.P, Scherzer, D, Shu, A, Bobko, M.A, Chadderton, A.R, Dumble, M, Gradiner, C.M, Gilbert, S, Liu, Q, Rabindran, S.K, Sudakin, V, Xiang, H, Brady, P.G, Campobasso, N, Ward, P, Axten, J.M. | Deposit date: | 2011-01-17 | Release date: | 2011-03-09 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-Based Design of Potent and Selective 3-Phosphoinositide-Dependent Kinase-1 (PDK1) Inhibitors. J.Med.Chem., 54, 2011
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3QD4
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![BU of 3qd4 by Molmil](/molmil-images/mine/3qd4) | Phosphoinositide-Dependent Kinase-1 (PDK1) kinase domain with 1,1-Dimethylethyl{(3R,5R)-1-[2-amino-6-(3-amino-1H-indazol-6-yl)-4-pyrimidinyl]-5-methyl-3-piperidinyl}carbamate | Descriptor: | 3-phosphoinositide-dependent protein kinase 1, SULFATE ION, tert-butyl {(3R,5R)-1-[2-amino-6-(3-amino-2H-indazol-6-yl)pyrimidin-4-yl]-5-methylpiperidin-3-yl}carbamate | Authors: | Medina, J.R, Becker, C.J, Blackledge, C.W, Duquenne, C, Feng, Y, Grant, S.W, Heerding, D, Li, W.H, Miller, W.H, Romeril, S.P, Scherzer, D, Shu, A, Bobko, M.A, Chadderton, A.R, Dumble, M, Gradiner, C.M, Gilbert, S, Liu, Q, Rabindran, S.K, Sudakin, V, Xiang, H, Brady, P.G, Campobasso, N, Ward, P, Axten, J.M. | Deposit date: | 2011-01-17 | Release date: | 2011-03-09 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure-Based Design of Potent and Selective 3-Phosphoinositide-Dependent Kinase-1 (PDK1) Inhibitors. J.Med.Chem., 54, 2011
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3QCY
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![BU of 3qcy by Molmil](/molmil-images/mine/3qcy) | Phosphoinositide-Dependent Kinase-1 (PDK1) kinase domain with 4-[2-Amino-6-(3-amino-1H-indazol-6-yl)-4-pyrimidinyl]-N-phenyl-2-morpholinecarboxamide | Descriptor: | (2S)-4-[2-amino-6-(3-amino-2H-indazol-6-yl)pyrimidin-4-yl]-N-phenylmorpholine-2-carboxamide, 3-phosphoinositide-dependent protein kinase 1, GLYCEROL, ... | Authors: | Medina, J.R, Becker, C.J, Blackledge, C.W, Duquenne, C, Feng, Y, Grant, S.W, Heerding, D, Li, W.H, Miller, W.H, Romeril, S.P, Scherzer, D, Shu, A, Bobko, M.A, Chadderton, A.R, Dumble, M, Gradiner, C.M, Gilbert, S, Liu, Q, Rabindran, S.K, Sudakin, V, Xiang, H, Brady, P.G, Campobasso, N, Ward, P, Axten, J.M. | Deposit date: | 2011-01-17 | Release date: | 2011-03-09 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure-Based Design of Potent and Selective 3-Phosphoinositide-Dependent Kinase-1 (PDK1) Inhibitors. J.Med.Chem., 54, 2011
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