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2Y4W
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BU of 2y4w by Molmil
Solution structure of human ubiquitin conjugating enzyme Rad6b
Descriptor: UBIQUITIN-CONJUGATING ENZYME E2 B
Authors:Huang, A, Hibbert, R.G, deJong, R.N, Das, D, Sixma, T.K, Boelens, R.
Deposit date:2011-01-11
Release date:2011-05-11
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Symmetry and Asymmetry of the Ring-Ring Dimer of Rad18
J.Mol.Biol., 410, 2011
2K4D
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BU of 2k4d by Molmil
E2-c-Cbl recognition is necessary but not sufficient for ubiquitination activity
Descriptor: E3 ubiquitin-protein ligase CBL, ZINC ION
Authors:Huang, A, De Jong, R.N, Wienk, H, Winkler, S.G, Timmers, H.T.M, Boelens, R.
Deposit date:2008-06-06
Release date:2009-01-20
Last modified:2024-10-30
Method:SOLUTION NMR
Cite:E2-c-Cbl recognition is necessary but not sufficient for ubiquitination activity
J.Mol.Biol., 385, 2009
2PJT
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BU of 2pjt by Molmil
Crystal structure of the catalytic domain of MMP-13 complexed with WAY-344
Descriptor: CALCIUM ION, Collagenase 3, TERT-BUTYL 4-({[4-(BUT-2-YN-1-YLAMINO)PHENYL]SULFONYL}METHYL)-4-[(HYDROXYAMINO)CARBONYL]PIPERIDINE-1-CARBOXYLATE, ...
Authors:Xu, Z, Huang, A, Lovering, F, Levin, J.I, Mosyak, L.
Deposit date:2007-04-16
Release date:2008-04-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure-based design of TACE selective inhibitors: manipulations in the S1'-S3' pocket.
Bioorg.Med.Chem., 15, 2007
3C8O
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BU of 3c8o by Molmil
The Crystal Structure of RraA from PAO1
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Regulator of ribonuclease activity A, ...
Authors:Luo, M, Niu, S, Yin, Y, Huang, A, Wang, D.
Deposit date:2008-02-12
Release date:2009-02-17
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The Crystal Structure of RraA from PAO1
To be published
2LH8
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BU of 2lh8 by Molmil
Syrian hamster prion protein with thiamine
Descriptor: 3-(4-AMINO-2-METHYL-PYRIMIDIN-5-YLMETHYL)-5-(2-HYDROXY-ETHYL)-4-METHYL-THIAZOL-3-IUM, Major prion protein
Authors:Perez-Pineiro, R, Bjorndahl, T.C, Berjanskii, M, Hau, D, Li, L, Huang, A, Lee, R, Gibbs, E, Ladner, C, Wei Dong, Y, Abera, A, Cashman, N.R, Wishart, D.
Deposit date:2011-08-05
Release date:2011-09-14
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:The prion protein binds thiamine.
Febs J., 278, 2011
2Y43
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BU of 2y43 by Molmil
Rad18 ubiquitin ligase RING domain structure
Descriptor: E3 UBIQUITIN-PROTEIN LIGASE RAD18, ZINC ION
Authors:Hibbert, R.G, Sixma, T.K.
Deposit date:2011-01-04
Release date:2011-05-11
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Symmetry and Asymmetry of the Ring-Ring Dimer of Rad18.
J.Mol.Biol., 410, 2011
1ELH
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BU of 1elh by Molmil
NMR ANALYSIS OF HELIX I FROM THE 5S RNA OF ESCHERICHIA COLI
Descriptor: RNA (5'-R(*AP*AP*CP*UP*GP*CP*CP*AP*GP*GP*CP*AP*U)-3'), RNA (5'-R(*UP*UP*GP*CP*CP*UP*GP*GP*CP*GP*GP*C)-3')
Authors:White, S, Moore, P.
Deposit date:1993-06-23
Release date:1994-01-31
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:NMR analysis of helix I from the 5S RNA of Escherichia coli.
Biochemistry, 31, 1992
9N3R
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BU of 9n3r by Molmil
Crystal structure of PRMT5:MEP50 in complex with MTA and TNG462
Descriptor: 1,2-ETHANEDIOL, 5'-DEOXY-5'-METHYLTHIOADENOSINE, CHLORIDE ION, ...
Authors:Whittington, D.A.
Deposit date:2025-01-31
Release date:2025-03-12
Last modified:2025-03-19
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:Discovery of TNG462: A Highly Potent and Selective MTA-Cooperative PRMT5 Inhibitor to Target Cancers with MTAP Deletion.
J.Med.Chem., 68, 2025
9N3N
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BU of 9n3n by Molmil
Crystal structure of PRMT5:MEP50 in complex with MTA and oxamide compound 3
Descriptor: 1,2-ETHANEDIOL, 5'-DEOXY-5'-METHYLTHIOADENOSINE, CHLORIDE ION, ...
Authors:Whittington, D.A.
Deposit date:2025-01-31
Release date:2025-03-12
Last modified:2025-03-19
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Discovery of TNG462: A Highly Potent and Selective MTA-Cooperative PRMT5 Inhibitor to Target Cancers with MTAP Deletion.
J.Med.Chem., 68, 2025
9N3O
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BU of 9n3o by Molmil
Crystal structure of PRMT5:MEP50 in complex with MTA and oxamide compound 14
Descriptor: 1,2-ETHANEDIOL, 5'-DEOXY-5'-METHYLTHIOADENOSINE, CHLORIDE ION, ...
Authors:Whittington, D.A.
Deposit date:2025-01-31
Release date:2025-03-12
Last modified:2025-03-19
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Discovery of TNG462: A Highly Potent and Selective MTA-Cooperative PRMT5 Inhibitor to Target Cancers with MTAP Deletion.
J.Med.Chem., 68, 2025
9N3Q
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BU of 9n3q by Molmil
Crystal structure of PRMT5:MEP50 in complex with MTA and oxamide compound 51
Descriptor: 1,2-ETHANEDIOL, 5'-DEOXY-5'-METHYLTHIOADENOSINE, Methylosome protein 50, ...
Authors:Whittington, D.A.
Deposit date:2025-01-31
Release date:2025-03-12
Last modified:2025-03-19
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Discovery of TNG462: A Highly Potent and Selective MTA-Cooperative PRMT5 Inhibitor to Target Cancers with MTAP Deletion.
J.Med.Chem., 68, 2025
9N3P
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BU of 9n3p by Molmil
Crystal structure of PRMT5:MEP50 in complex with MTA and oxamide compound 30
Descriptor: 1,2-ETHANEDIOL, 5'-DEOXY-5'-METHYLTHIOADENOSINE, CHLORIDE ION, ...
Authors:Whittington, D.A.
Deposit date:2025-01-31
Release date:2025-03-12
Last modified:2025-03-19
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Discovery of TNG462: A Highly Potent and Selective MTA-Cooperative PRMT5 Inhibitor to Target Cancers with MTAP Deletion.
J.Med.Chem., 68, 2025
8U4E
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BU of 8u4e by Molmil
Cryo-EM structure of long form insulin receptor (IR-B) with three IGF2 bound, asymmetric conformation.
Descriptor: Insulin receptor, Insulin-like growth factor II
Authors:An, W, Hall, C, Li, J, Huang, A, Wu, J, Park, J, Bai, X.C, Choi, E.
Deposit date:2023-09-10
Release date:2024-03-27
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Activation of the insulin receptor by insulin-like growth factor 2.
Nat Commun, 15, 2024
8U4B
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BU of 8u4b by Molmil
Cryo-EM structure of long form insulin receptor (IR-B) in the apo state
Descriptor: Insulin receptor
Authors:An, W, Hall, C, Li, J, Huang, A, Wu, J, Park, J, Bai, X.C, Choi, E.
Deposit date:2023-09-10
Release date:2024-03-27
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Activation of the insulin receptor by insulin-like growth factor 2.
Nat Commun, 15, 2024
8U4C
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BU of 8u4c by Molmil
Cryo-EM structure of long form insulin receptor (IR-B) with four IGF2 bound, symmetric conformation.
Descriptor: Insulin receptor, Insulin-like growth factor II
Authors:An, W, Hall, C, Li, J, Huang, A, Wu, J, Park, J, Bai, X.C, Choi, E.
Deposit date:2023-09-10
Release date:2024-03-27
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Activation of the insulin receptor by insulin-like growth factor 2.
Nat Commun, 15, 2024
9MGN
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BU of 9mgn by Molmil
Crystal structure of PRMT5:MEP50 in complex with MTA and compound 41
Descriptor: 1,2-ETHANEDIOL, 2-(cyclobutylamino)-N-[(2S)-2-hydroxy-3-{6-[(1H-pyrazol-4-yl)methoxy]-3,4-dihydroisoquinolin-2(1H)-yl}propyl]pyridine-4-carboxamide, 5'-DEOXY-5'-METHYLTHIOADENOSINE, ...
Authors:Whittington, D.A.
Deposit date:2024-12-11
Release date:2025-03-05
Method:X-RAY DIFFRACTION (2.82 Å)
Cite:MTA-Cooperative PRMT5 Inhibitors: Mechanism Switching Through Structure-Based Design.
J.Med.Chem., 68, 2025
9MGM
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BU of 9mgm by Molmil
Crystal structure of PRMT5:MEP50 in complex with MTA and compound 24
Descriptor: 2-(cyclobutylamino)-N-[(2S)-2-hydroxy-3-{6-[(1-methyl-1H-pyrazol-5-yl)methoxy]-3,4-dihydroisoquinolin-2(1H)-yl}propyl]pyridine-4-carboxamide, 5'-DEOXY-5'-METHYLTHIOADENOSINE, Methylosome protein 50, ...
Authors:Whittington, D.A.
Deposit date:2024-12-11
Release date:2025-03-05
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:MTA-Cooperative PRMT5 Inhibitors: Mechanism Switching Through Structure-Based Design.
J.Med.Chem., 68, 2025
9MGQ
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BU of 9mgq by Molmil
Crystal structure of PRMT5:MEP50 in complex with sinefungin and compound 47
Descriptor: 1,2-ETHANEDIOL, 2-(cyclobutylamino)-N-{(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl}pyridine-4-carboxamide, DI(HYDROXYETHYL)ETHER, ...
Authors:Whittington, D.A.
Deposit date:2024-12-11
Release date:2025-03-05
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:MTA-Cooperative PRMT5 Inhibitors: Mechanism Switching Through Structure-Based Design.
J.Med.Chem., 68, 2025
9MGL
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BU of 9mgl by Molmil
Crystal structure of PRMT5:MEP50 in complex with MTA and GSK3326595
Descriptor: 1,2-ETHANEDIOL, 5'-DEOXY-5'-METHYLTHIOADENOSINE, DI(HYDROXYETHYL)ETHER, ...
Authors:Whittington, D.A.
Deposit date:2024-12-11
Release date:2025-03-05
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:MTA-Cooperative PRMT5 Inhibitors: Mechanism Switching Through Structure-Based Design.
J.Med.Chem., 68, 2025
9MGP
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BU of 9mgp by Molmil
Crystal structure of PRMT5:MEP50 in complex with MTA and compound 46a
Descriptor: 1,2-ETHANEDIOL, 5'-DEOXY-5'-METHYLTHIOADENOSINE, CHLORIDE ION, ...
Authors:Whittington, D.A.
Deposit date:2024-12-11
Release date:2025-03-05
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:MTA-Cooperative PRMT5 Inhibitors: Mechanism Switching Through Structure-Based Design.
J.Med.Chem., 68, 2025
9MGR
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BU of 9mgr by Molmil
Crystal structure of PRMT5:MEP50 in complex with MTA and compound 51
Descriptor: 1,2-ETHANEDIOL, 5'-DEOXY-5'-METHYLTHIOADENOSINE, 6-[(1-acetylazetidin-3-yl)amino]-N-[(2R)-2-hydroxy-2-{(3S)-7-[(4-methyl-1,3-oxazol-5-yl)methoxy]-1,2,3,4-tetrahydroisoquinolin-3-yl}ethyl]-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide, ...
Authors:Whittington, D.A.
Deposit date:2024-12-11
Release date:2025-03-05
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:MTA-Cooperative PRMT5 Inhibitors: Mechanism Switching Through Structure-Based Design.
J.Med.Chem., 68, 2025
1T2M
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BU of 1t2m by Molmil
Solution Structure Of The Pdz Domain Of AF-6
Descriptor: AF-6 protein
Authors:Zhou, H, Wu, J.H, Xu, Y.Q, Huang, A.D, Shi, Y.Y.
Deposit date:2004-04-22
Release date:2005-02-08
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution Structure of AF-6 PDZ Domain and Its Interaction with the C-terminal Peptides from Neurexin and Bcr
J.Biol.Chem., 280, 2005
5KSJ
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BU of 5ksj by Molmil
Crystal structure of deoxygenated hemoglobin in complex with Sphingosine phosphate
Descriptor: (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
Authors:Ahmed, M.H, Safo, M.K, Xia, Y.
Deposit date:2016-07-08
Release date:2017-07-26
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural and Functional Insight of Sphingosine 1-Phosphate-Mediated Pathogenic Metabolic Reprogramming in Sickle Cell Disease.
Sci Rep, 7, 2017
5KSI
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BU of 5ksi by Molmil
Crystal structure of deoxygenated hemoglobin in complex with sphingosine phosphate and 2,3-Bisphosphoglycerate
Descriptor: (2R)-2,3-diphosphoglyceric acid, (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, Hemoglobin subunit alpha, ...
Authors:Ahmed, M.H, Safo, M.K, Xia, Y.
Deposit date:2016-07-08
Release date:2017-07-26
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and Functional Insight of Sphingosine 1-Phosphate-Mediated Pathogenic Metabolic Reprogramming in Sickle Cell Disease.
Sci Rep, 7, 2017
8IEM
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BU of 8iem by Molmil
Cryo-EM structure of ATP13A2 in the E2P state
Descriptor: BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, Polyamine-transporting ATPase 13A2, ...
Authors:Liu, Z.M, Mu, J.Q, Xue, C.Y.
Deposit date:2023-02-15
Release date:2023-12-20
Method:ELECTRON MICROSCOPY (3.35 Å)
Cite:Conformational cycle of human polyamine transporter ATP13A2.
Nat Commun, 14, 2023

 

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