8VG8
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![BU of 8vg8 by Molmil](/molmil-images/mine/8vg8) | Crystal Structure of T115A Variant of D-Dopachrome Tautomerase (D-DT) Bound to 4CPPC | Descriptor: | 4-(3-carboxyphenyl)pyridine-2,5-dicarboxylic acid, D-dopachrome decarboxylase | Authors: | Parkins, A, Pilien, A, Wolff, A, Thompson, M.C, Pantouris, G. | Deposit date: | 2023-12-23 | Release date: | 2024-05-01 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | The C-terminal Region of D-DT Regulates Molecular Recognition for Protein-Ligand Complexes. J.Med.Chem., 67, 2024
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8Q35
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8Q39
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![BU of 8q39 by Molmil](/molmil-images/mine/8q39) | Crystal structure of YTHDC1 in complex with Compound 21 (ZA_515) | Descriptor: | 2-chloranyl-N-methyl-9-[[3-(1H-1,2,3,4-tetrazol-5-yl)phenyl]methyl]purin-6-amine, SULFATE ION, YTH domain-containing protein 1 | Authors: | Bedi, R.K, Zalesak, F, Caflisch, A. | Deposit date: | 2023-08-03 | Release date: | 2023-12-06 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Structure-Based Design of a Potent and Selective YTHDC1 Ligand. J.Med.Chem., 67, 2024
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8Q4T
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8WG7
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![BU of 8wg7 by Molmil](/molmil-images/mine/8wg7) | Cryo-EM structures of peptide free and Gs-coupled GLP-1R | Descriptor: | Glucagon-like peptide 1 receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Cong, Z.T, Zhao, F.H, Li, Y, Luo, G, Zhou, Q.T, Yang, D.H, Wang, M.W. | Deposit date: | 2023-09-20 | Release date: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (2.54 Å) | Cite: | Molecular features of the ligand-free GLP-1R, GCGR and GIPR in complex with G s proteins. Cell Discov, 10, 2024
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8WG8
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![BU of 8wg8 by Molmil](/molmil-images/mine/8wg8) | Cryo-EM structures of peptide free and Gs-coupled GCGR | Descriptor: | Glucagon receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Cong, Z.T, Zhao, F.H, Li, Y, Luo, G, Zhou, Q.T, Yang, D.H, Wang, M.W. | Deposit date: | 2023-09-20 | Release date: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (2.71 Å) | Cite: | Molecular features of the ligand-free GLP-1R, GCGR and GIPR in complex with G s proteins. Cell Discov, 10, 2024
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8VFN
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![BU of 8vfn by Molmil](/molmil-images/mine/8vfn) | Crystal Structure of WT D-Dopachrome Tautomerase (D-DT) at 310K | Descriptor: | D-dopachrome decarboxylase | Authors: | Parkins, A, Pilien, A, Wolff, A, Thompson, M.C, Pantouris, G. | Deposit date: | 2023-12-21 | Release date: | 2024-05-01 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.29 Å) | Cite: | The C-terminal Region of D-DT Regulates Molecular Recognition for Protein-Ligand Complexes. J.Med.Chem., 67, 2024
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8Q2U
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7BR3
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![BU of 7br3 by Molmil](/molmil-images/mine/7br3) | Crystal structure of the protein 1 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2R)-2,3-dihydroxypropyl dodecanoate, 4-[[(1R)-2-[5-(2-fluoranyl-3-methoxy-phenyl)-3-[[2-fluoranyl-6-(trifluoromethyl)phenyl]methyl]-4-methyl-2,6-bis(oxidanylidene)pyrimidin-1-yl]-1-phenyl-ethyl]amino]butanoic acid, ... | Authors: | Cheng, L, Shao, Z. | Deposit date: | 2020-03-26 | Release date: | 2020-10-07 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.79 Å) | Cite: | Structure of the human gonadotropin-releasing hormone receptor GnRH1R reveals an unusual ligand binding mode. Nat Commun, 11, 2020
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8Q37
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8Q4M
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8VG7
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![BU of 8vg7 by Molmil](/molmil-images/mine/8vg7) | Crystal Structure of T115A Variant of D-Dopachrome Tautomerase (D-DT) | Descriptor: | D-dopachrome decarboxylase | Authors: | Parkins, A, Pilien, A, Wolff, A, Thompson, M.C, Pantouris, G. | Deposit date: | 2023-12-23 | Release date: | 2024-05-01 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.24 Å) | Cite: | The C-terminal Region of D-DT Regulates Molecular Recognition for Protein-Ligand Complexes. J.Med.Chem., 67, 2024
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5QCZ
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![BU of 5qcz by Molmil](/molmil-images/mine/5qcz) | Crystal structure of BACE complex with BMC015 | Descriptor: | (4S)-4-{(S)-hydroxy[(3R,6R)-6-(methoxymethyl)morpholin-3-yl]methyl}-19-(methoxymethyl)-11-oxa-3,16-diazatricyclo[15.3.1.1~6,10~]docosa-1(21),6(22),7,9,17,19-hexaen-2-one, Beta-secretase 1 | Authors: | Rondeau, J.M, Shao, C, Yang, H, Burley, S.K. | Deposit date: | 2017-12-01 | Release date: | 2020-06-03 | Last modified: | 2021-02-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | D3R grand challenge 4: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies. J.Comput.Aided Mol.Des., 34, 2020
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1K3L
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![BU of 1k3l by Molmil](/molmil-images/mine/1k3l) | Crystal Structure Analysis of S-hexyl-glutathione Complex of Glutathione Transferase at 1.5 Angstroms Resolution | Descriptor: | GLUTATHIONE S-TRANSFERASE A1, S-HEXYLGLUTATHIONE | Authors: | Le Trong, I, Stenkamp, R.E, Ibarra, C, Atkins, W.M, Adman, E.T. | Deposit date: | 2001-10-03 | Release date: | 2002-10-23 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | 1.3-A resolution structure of human glutathione S-transferase with S-hexyl
glutathione bound reveals possible extended ligandin binding site Proteins, 48, 2002
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8VG5
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![BU of 8vg5 by Molmil](/molmil-images/mine/8vg5) | Crystal Structure of V113N Variant of D-Dopachrome Tautomerase (D-DT) Bound with 4CPPC | Descriptor: | 4-(3-carboxyphenyl)pyridine-2,5-dicarboxylic acid, CITRIC ACID, D-dopachrome decarboxylase | Authors: | Parkins, A, Pilien, A, Thompson, M.C, Pantouris, G. | Deposit date: | 2023-12-22 | Release date: | 2024-05-01 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | The C-terminal Region of D-DT Regulates Molecular Recognition for Protein-Ligand Complexes. J.Med.Chem., 67, 2024
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8WA3
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![BU of 8wa3 by Molmil](/molmil-images/mine/8wa3) | Cryo-EM structure of peptide free and Gs-coupled GIPR | Descriptor: | Gastric inhibitory polypeptide receptor,Fusion protein, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1,O-antigen polymerase, ... | Authors: | Cong, Z.T, Zhao, F.H, Li, Y, Luo, G, Zhou, Q.T, Yang, D.H, Wang, M.W. | Deposit date: | 2023-09-06 | Release date: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (2.86 Å) | Cite: | Molecular features of the ligand-free GLP-1R, GCGR and GIPR in complex with G s proteins. Cell Discov, 10, 2024
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8VDY
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![BU of 8vdy by Molmil](/molmil-images/mine/8vdy) | Crystal Structure of Delta 114-117 D-Dopachrome Tautomerase (D-DT) | Descriptor: | D-dopachrome decarboxylase | Authors: | Parkins, A, Pilien, A, Wolff, A, Thompson, M.C, Pantouris, G. | Deposit date: | 2023-12-18 | Release date: | 2024-05-01 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | The C-terminal Region of D-DT Regulates Molecular Recognition for Protein-Ligand Complexes. J.Med.Chem., 67, 2024
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8VFL
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![BU of 8vfl by Molmil](/molmil-images/mine/8vfl) | Crystal Structure of WT D-Dopachrome Tautomerase (D-DT) at 290K | Descriptor: | D-dopachrome decarboxylase | Authors: | Parkins, A, Pilien, A, Wolff, A, Thompson, M.C, Pantouris, G. | Deposit date: | 2023-12-21 | Release date: | 2024-05-01 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.23 Å) | Cite: | The C-terminal Region of D-DT Regulates Molecular Recognition for Protein-Ligand Complexes. J.Med.Chem., 67, 2024
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8WUE
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2HXR
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![BU of 2hxr by Molmil](/molmil-images/mine/2hxr) | Structure of the ligand binding domain of E. coli CynR, a transcriptional regulator controlling cyanate metabolism | Descriptor: | HTH-type transcriptional regulator cynR | Authors: | Singer, A.U, Cuff, M.E, Evdokimova, E, Kagan, O, Joachimiak, A, Edwards, A.M, Savchenko, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2006-08-03 | Release date: | 2006-08-22 | Last modified: | 2017-10-18 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | The structure of CynR, a transcriptional regulator, both in the presence and absence of sodium azide, its activator ligand To be Published
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8VFK
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![BU of 8vfk by Molmil](/molmil-images/mine/8vfk) | Crystal Structure of Delta 109-117 D-Dopachrome Tautomerase (D-DT) | Descriptor: | CITRATE ANION, D-dopachrome decarboxylase, SODIUM ION | Authors: | Parkins, A, Pilien, A, Wolff, A, Thompson, M.C, Pantouris, G. | Deposit date: | 2023-12-21 | Release date: | 2024-05-01 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | The C-terminal Region of D-DT Regulates Molecular Recognition for Protein-Ligand Complexes. J.Med.Chem., 67, 2024
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5QD0
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![BU of 5qd0 by Molmil](/molmil-images/mine/5qd0) | Crystal structure of BACE complex withBMC006 | Descriptor: | (5S,8S,10R)-8-[(1R)-1-hydroxy-2-{[(5-propyl-1H-pyrazol-3-yl)methyl]amino}ethyl]-4,5,10-trimethyl-1-oxa-4,7-diazacyclohexadecane-3,6-dione, Beta-secretase 1 | Authors: | Rondeau, J.M, Shao, C, Yang, H, Burley, S.K. | Deposit date: | 2017-12-01 | Release date: | 2020-06-03 | Last modified: | 2021-02-10 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | D3R grand challenge 4: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies. J.Comput.Aided Mol.Des., 34, 2020
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5QCV
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![BU of 5qcv by Molmil](/molmil-images/mine/5qcv) | Crystal structure of BACE complex with BMC023 | Descriptor: | (10S,13S)-13-[(1R)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-9,10-dimethyl-2-oxa-9,12-diazabicyclo[13.3.1]nonadeca-1(19),15,17-triene-8,11-dione, Beta-secretase 1 | Authors: | Rondeau, J.M, Shao, C, Yang, H, Burley, S.K. | Deposit date: | 2017-12-01 | Release date: | 2020-06-03 | Last modified: | 2021-02-10 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | D3R grand challenge 4: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies. J.Comput.Aided Mol.Des., 34, 2020
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5QDB
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![BU of 5qdb by Molmil](/molmil-images/mine/5qdb) | Crystal structure of BACE complex with BMC002 | Descriptor: | (3S,14R,16S)-16-[(1R)-1-hydroxy-2-{[3-(1-methylethyl)benzyl]amino}ethyl]-3,4,14-trimethyl-1,4-diazacyclohexadecane-2,5- dione, Beta-secretase 1 | Authors: | Rondeau, J.M, Shao, C, Yang, H, Burley, S.K. | Deposit date: | 2017-12-01 | Release date: | 2020-06-03 | Last modified: | 2021-02-10 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | D3R grand challenge 4: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies. J.Comput.Aided Mol.Des., 34, 2020
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2OVE
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![BU of 2ove by Molmil](/molmil-images/mine/2ove) | Crystal Structure of Recombinant Human Complement Protein C8gamma | Descriptor: | Complement component 8, gamma polypeptide | Authors: | Chiswell, B, Lovelace, L.L, Brannen, C, Ortlund, E.A, Lebioda, L, Sodetz, J.M. | Deposit date: | 2007-02-13 | Release date: | 2007-05-22 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural features of the ligand binding site on human complement protein C8gamma: A member of the lipocalin family Biochim.Biophys.Acta, 1774, 2007
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