7ZL9
 
 | | Crystal structure of human GPCR Niacin receptor (HCA2) | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, DI(HYDROXYETHYL)ETHER, Hydroxycarboxylic acid receptor 2,Soluble cytochrome b562, ... | | Authors: | Yang, Y, Kang, H.J, Gao, R.G, Wang, J.J, Han, G.W, FiBerto, J.F, Wu, L.J, Tong, J.H, Qu, L, Wu, Y.R, Pileski, R, Li, X.M, Zhang, X.C, Zhao, S.W, Kenakin, T, Wang, Q, Stevens, R.C, Peng, W, Roth, B.L, Rao, Z.H, Liu, Z.J. | | Deposit date: | 2022-04-14 | | Release date: | 2023-04-12 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural insights into the human niacin receptor HCA2-G i signalling complex.
Nat Commun, 14, 2023
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1PJO
 | | Crystal Structure of an RNA/DNA hybrid of HIV-1 PPT | | Descriptor: | 5'-D(*CP*TP*TP*TP*TP*CP*TP*TP*TP*G)-3', 5'-R(*CP*AP*AP*AP*GP*AP*AP*AP*AP*G)-3', MAGNESIUM ION | | Authors: | Kopka, M.L, Lavelle, L, Han, G.W, Ng, H.-L, Dickerson, R.E. | | Deposit date: | 2003-06-03 | | Release date: | 2003-12-09 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | An Unusual Sugar Conformation in the Structure of an RNA/DNA
Decamer of the Polypurine Tract May Affect Recognition by RNase H
J.Mol.Biol., 334, 2003
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8ANS
 | | Crystal structure of D1228V c-MET bound by compound 1. | | Descriptor: | 3-[bis(fluoranyl)methyl]-~{N}-methyl-~{N}-[(1~{R})-8-methyl-5-(3-methyl-1~{H}-indazol-6-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-2-carboxamide, GLYCEROL, Hepatocyte growth factor receptor | | Authors: | Collie, G.W. | | Deposit date: | 2022-08-05 | | Release date: | 2022-08-31 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Discovery of a selective c-MET inhibitor with a novel binding mode.
Bioorg.Med.Chem.Lett., 75, 2022
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8AN8
 | | Crystal structure of wild-type c-MET bound by compound 7. | | Descriptor: | 3-[bis(fluoranyl)methyl]-~{N}-methyl-~{N}-[(1~{R})-8-methyl-5-(3-methyl-1~{H}-indazol-6-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-2-carboxamide, Hepatocyte growth factor receptor, SULFATE ION | | Authors: | Collie, G.W. | | Deposit date: | 2022-08-04 | | Release date: | 2022-08-31 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.394 Å) | | Cite: | Discovery of a selective c-MET inhibitor with a novel binding mode.
Bioorg.Med.Chem.Lett., 75, 2022
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1E5N
 | | E246C mutant of P fluorescens subsp. cellulosa xylanase A in complex with xylopentaose | | Descriptor: | CALCIUM ION, ENDO-1,4-BETA-XYLANASE A, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose | | Authors: | Lo Leggio, L, Jenkins, J.A, Harris, G.W, Pickersgill, R.W. | | Deposit date: | 2000-07-27 | | Release date: | 2000-12-08 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | X-ray crystallographic study of xylopentaose binding to Pseudomonas fluorescens xylanase A.
Proteins, 41, 2000
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1G4Q
 | | RNA/DNA HYBRID DECAMER OF CAAAGAAAAG/CTTTTCTTTG | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 5'-D(*CP*TP*TP*TP*TP*CP*TP*TP*TP*G)-3', 5'-R(*CP*AP*AP*AP*GP*AP*AP*AP*AP*G)-3', ... | | Authors: | Han, G.W. | | Deposit date: | 2000-10-27 | | Release date: | 2003-07-08 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Direct-methods determination of an RNA/DNA hybrid decamer at 1.15 A resolution.
Acta Crystallogr.,Sect.D, 57, 2001
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5DHG
 | | The crystal structure of nociceptin/orphanin FQ peptide receptor (NOP) in complex with C-35 (PSI Community Target) | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1-benzyl-N-{3-[4-(2,6-dichlorophenyl)piperidin-1-yl]propyl}-D-prolinamide, OLEIC ACID, ... | | Authors: | Miller, R.L, Thompson, A.A, Trapella, C, Guerrini, R, Malfacini, D, Patel, N, Han, G.W, Cherezov, V, Calo, G, Katritch, V, Stevens, R.C, GPCR Network (GPCR) | | Deposit date: | 2015-08-30 | | Release date: | 2015-10-21 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | The Importance of Ligand-Receptor Conformational Pairs in Stabilization: Spotlight on the N/OFQ G Protein-Coupled Receptor.
Structure, 23, 2015
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6GN2
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5F4N
 | | Multi-parameter lead optimization to give an oral CHK1 inhibitor clinical candidate: (R)-5-((4-((morpholin-2-ylmethyl)amino)-5-(trifluoromethyl)pyridin-2-yl)amino)pyrazine-2-carbonitrile (CCT245737) | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Serine/threonine-protein kinase Chk1, ... | | Authors: | Collins, I, Garrett, M.D, van Montfort, R, Osborne, J.D, Matthews, T.P, McHardy, T, Proisy, N, Cheung, K.J, Lainchbury, M, Brown, N, Walton, M.I, Eve, P.D, Boxall, K.J, Hayes, A, Henley, A.T, Valenti, M.R, De Haven Brandon, A.K, Box, G, Westwood, I.M, Jamin, Y, Robinson, S.P, Leonard, P, Reader, J.C, Aherne, G.W, Raynaud, F.I, Eccles, S.A. | | Deposit date: | 2015-12-03 | | Release date: | 2016-05-25 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Multiparameter Lead Optimization to Give an Oral Checkpoint Kinase 1 (CHK1) Inhibitor Clinical Candidate: (R)-5-((4-((Morpholin-2-ylmethyl)amino)-5-(trifluoromethyl)pyridin-2-yl)amino)pyrazine-2-carbonitrile (CCT245737).
J.Med.Chem., 59, 2016
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5ET9
 | | Racemic crystal structures of Pribnow box consensus promoter sequence (P21/n) | | Descriptor: | BARIUM ION, Pribnow box consensus sequence- template strand, Pribnow box non-template strand | | Authors: | Mandal, P.K, Collie, G.W, Kauffmann, B, Srivastava, S.C, Huc, I. | | Deposit date: | 2015-11-17 | | Release date: | 2016-05-18 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Structure elucidation of the Pribnow box consensus promoter sequence by racemic DNA crystallography.
Nucleic Acids Res., 44, 2016
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6GN3
 | | Racemic crystal structure of A-DNA duplex formed from d(CCCGGG) in space group P21/n | | Descriptor: | CHLORIDE ION, COBALT (II) ION, DNA (5'-D(*CP*CP*CP*GP*GP*G)-3'), ... | | Authors: | Mandal, P.K, Collie, G.W, Kauffmann, B, Huc, I. | | Deposit date: | 2018-05-29 | | Release date: | 2019-09-11 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Racemic crystal structures of A-DNA duplexes
To Be Published
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5HBV
 | | Complex structure of Fab35 and mouse nAChR alpha1 | | Descriptor: | Acetylcholine receptor subunit alpha 1, Alpha-bungarotoxin isoform V31, Fab35, ... | | Authors: | Noridomi, K, Watanabe, G, Hansen, M.N, Han, G.W, Chen, L. | | Deposit date: | 2016-01-02 | | Release date: | 2017-05-03 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural insights into the molecular mechanisms of myasthenia gravis and their therapeutic implications.
Elife, 6, 2017
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5HBT
 | | Complex structure of Fab35 and human nAChR alpha1 | | Descriptor: | Acetylcholine receptor subunit alpha 1, Alpha-bungarotoxin isoform V31, Fab35, ... | | Authors: | Noridomi, K, Watanabe, G, Hansen, M.N, Han, G.W, Chen, L. | | Deposit date: | 2016-01-02 | | Release date: | 2017-05-03 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Structural insights into the molecular mechanisms of myasthenia gravis and their therapeutic implications.
Elife, 6, 2017
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9EXW
 | | Crystal structure of the PWWP1 domain of NSD2 bound by compound 17. | | Descriptor: | 1,2-ETHANEDIOL, 7-[3-methyl-5-[2-methyl-5-[(pyridin-3-ylamino)methyl]phenyl]imidazol-4-yl]-4~{H}-1,4-benzoxazin-3-one, Histone-lysine N-methyltransferase NSD2 | | Authors: | Collie, G.W. | | Deposit date: | 2024-04-09 | | Release date: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | Identification of Novel Potent NSD2-PWWP1 Ligands Using Structure-Based Design and Computational Approaches.
J.Med.Chem., 2024
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9EXX
 | | Crystal structure of the PWWP1 domain of NSD2 bound by compound 18. | | Descriptor: | 1,2-ETHANEDIOL, 4-methyl-3-[1-methyl-5-(3-oxidanylidene-4~{H}-1,4-benzoxazin-7-yl)imidazol-4-yl]-~{N}-phenyl-benzamide, ETHANOL, ... | | Authors: | Collie, G.W. | | Deposit date: | 2024-04-09 | | Release date: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.943 Å) | | Cite: | Identification of Novel Potent NSD2-PWWP1 Ligands Using Structure-Based Design and Computational Approaches.
J.Med.Chem., 2024
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9EXY
 | | Crystal structure of the PWWP1 domain of NSD2 bound by compound 34. | | Descriptor: | 7-[5-methyl-3-[2-methyl-5-(piperidin-1-ylmethyl)phenyl]-1,2-oxazol-4-yl]-4~{H}-1,4-benzoxazin-3-one, Histone-lysine N-methyltransferase NSD2 | | Authors: | Collie, G.W. | | Deposit date: | 2024-04-09 | | Release date: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.699 Å) | | Cite: | Identification of Novel Potent NSD2-PWWP1 Ligands Using Structure-Based Design and Computational Approaches.
J.Med.Chem., 2024
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170D
 | | SOLUTION STRUCTURE OF A DNA DODECAMER CONTAINING THE ANTI-NEOPLASTIC AGENT ARABINOSYLCYTOSINE: COMBINED USE OF NMR, RESTRAINED MOLECULAR DYNAMICS AND FULL RELAXATION MATRIX REFINEMENT | | Descriptor: | DNA/RNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*T)-R(P*CAR)-D(P*GP*CP*G)-3') | | Authors: | Schweitzer, B.I, Mikita, T, Kellogg, G.W, Gardner, K.H, Beardsley, G.P. | | Deposit date: | 1994-03-14 | | Release date: | 1994-07-31 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structure of a DNA dodecamer containing the anti-neoplastic agent arabinosylcytosine: combined use of NMR, restrained molecular dynamics, and full relaxation matrix refinement.
Biochemistry, 33, 1994
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1ALF
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171D
 | | SOLUTION STRUCTURE OF A DNA DODECAMER CONTAINING THE ANTI-NEOPLASTIC AGENT ARABINOSYLCYTOSINE: COMBINED USE OF NMR, RESTRAINED MOLECULAR DYNAMICS AND FULL RELAXATION MATRIX REFINEMENT | | Descriptor: | DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3') | | Authors: | Schweitzer, B.I, Mikita, T, Kellogg, G.W, Gardner, K.H, Beardsley, G.P. | | Deposit date: | 1994-03-14 | | Release date: | 1994-07-31 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structure of a DNA dodecamer containing the anti-neoplastic agent arabinosylcytosine: combined use of NMR, restrained molecular dynamics, and full relaxation matrix refinement.
Biochemistry, 33, 1994
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1ALE
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1B8X
 | | GLUTATHIONE S-TRANSFERASE FUSED WITH THE NUCLEAR MATRIX TARGETING SIGNAL OF THE TRANSCRIPTION FACTOR AML-1 | | Descriptor: | PROTEIN (AML-1B) | | Authors: | Tang, L, Guo, B, Van Wijnen, A.J, Lian, J.B, Stein, J.L, Stein, G.S, Zhou, G.W. | | Deposit date: | 1999-02-03 | | Release date: | 1999-04-12 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Preliminary crystallographic study of glutathione S-transferase fused with the nuclear matrix targeting signal of the transcription factor AML-1/CBF-alpha2.
J.Struct.Biol., 123, 1998
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7TXX
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6W25
 | | Crystal structure of the Melanocortin-4 Receptor (MC4R) in complex with SHU9119 | | Descriptor: | CALCIUM ION, Melanocortin receptor 4,GlgA glycogen synthase,Melanocortin receptor 4, OLEIC ACID, ... | | Authors: | Yu, J, Gimenez, L.E, Hernandez, C.C, Wu, Y, Wein, A.H, Han, G.W, McClary, K, Mittal, S.R, Burdsall, K, Stauch, B, Wu, L, Stevens, S.N, Peisley, A, Williams, S.Y, Chen, V, Millhauser, G.L, Zhao, S, Cone, R.D, Stevens, R.C. | | Deposit date: | 2020-03-04 | | Release date: | 2020-04-29 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Determination of the melanocortin-4 receptor structure identifies Ca2+as a cofactor for ligand binding.
Science, 368, 2020
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6VJM
 | | Human metabotropic GABA(B) receptor in its apo state | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Shaye, H, Han, G.W, Gati, C, Cherezov, V. | | Deposit date: | 2020-01-16 | | Release date: | 2020-06-10 | | Last modified: | 2020-08-26 | | Method: | ELECTRON MICROSCOPY (3.97 Å) | | Cite: | Structural basis of the activation of a metabotropic GABA receptor.
Nature, 584, 2020
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7TVL
 | | Viral AMG chitosanase V-Csn, apo structure | | Descriptor: | GLYCEROL, SULFATE ION, Viral chitosanase V-Csn | | Authors: | Smith, C.A, Wu, R, Buchko, G.W, Cort, J.R, Hofmockel, K.S, Jansson, J.K. | | Deposit date: | 2022-02-05 | | Release date: | 2022-10-05 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (0.89 Å) | | Cite: | Structural characterization of a soil viral auxiliary metabolic gene product - a functional chitosanase.
Nat Commun, 13, 2022
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