8CE3
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![BU of 8ce3 by Molmil](/molmil-images/mine/8ce3) | Crystal structure of MGAT5 (alpha-1,6-mannosylglycoprotein 6-beta-N-acetylglucosaminyltransferase V) luminal domain with a Lys329-Ile345 loop truncation, in complex with 3D fragment 2548 | Descriptor: | (3~{S})-1-ethanoyl-3-(4-methylphenyl)piperidine-3-carboxylic acid, 1,2-ETHANEDIOL, Alpha-1,6-mannosylglycoprotein 6-beta-N-acetylglucosaminyltransferase A, ... | Authors: | Gilio, A.K, Darby, J.F, Wu, L, Davies, G.J. | Deposit date: | 2023-02-01 | Release date: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | A Modular 3-D Fragment Collection: Design, Synthesis and Screening To Be Published
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6YBK
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![BU of 6ybk by Molmil](/molmil-images/mine/6ybk) | Structure of MBP-Mcl-1 in complex with compound 4d | Descriptor: | (2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-[2-(pyrazin-2-ylmethoxy)phenyl]propanoic acid, CHLORIDE ION, Maltose/maltodextrin-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, ... | Authors: | Dokurno, P, Surgenor, A.E, Murray, J.B. | Deposit date: | 2020-03-17 | Release date: | 2020-11-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of S64315, a Potent and Selective Mcl-1 Inhibitor. J.Med.Chem., 63, 2020
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6YJS
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![BU of 6yjs by Molmil](/molmil-images/mine/6yjs) | Crystal structure of MGAT5 (alpha-1,6-mannosylglycoprotein 6-beta-N-acetylglucosaminyltransferase V) luminal domain with a Lys329-Ile345 loop truncation, in complex with biantennary pentasaccharide M592 | Descriptor: | 1,2-ETHANEDIOL, 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)]alpha-D-mannopyranose, ... | Authors: | Wu, L, Darby, J.F, Gilio, A.K, Davies, G.J. | Deposit date: | 2020-04-04 | Release date: | 2020-08-05 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Substrate Engagement and Catalytic Mechanisms of N-Acetylglucosaminyltransferase V Acs Catalysis, 2020
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6YJT
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![BU of 6yjt by Molmil](/molmil-images/mine/6yjt) | Crystal structure of MGAT5 (alpha-1,6-mannosylglycoprotein 6-beta-N-acetylglucosaminyltransferase V) luminal domain with a Lys329-Ile345 loop truncation, in complex with UDP | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-1,6-mannosylglycoprotein 6-beta-N-acetylglucosaminyltransferase A, ... | Authors: | Wu, L, Darby, J.F, Gilio, A.K, Davies, G.J. | Deposit date: | 2020-04-04 | Release date: | 2020-08-05 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Substrate Engagement and Catalytic Mechanisms of N-Acetylglucosaminyltransferase V Acs Catalysis, 2020
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6YJQ
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![BU of 6yjq by Molmil](/molmil-images/mine/6yjq) | Crystal structure of unliganded MGAT5 (alpha-1,6-mannosylglycoprotein 6-beta-N-acetylglucosaminyltransferase V) luminal domain with a Lys329-Ile345 loop truncation | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-1,6-mannosylglycoprotein 6-beta-N-acetylglucosaminyltransferase A,Alpha-1,6-mannosylglycoprotein 6-beta-N-acetylglucosaminyltransferase A, ... | Authors: | Wu, L, Darby, J.F, Gilio, A.K, Davies, G.J. | Deposit date: | 2020-04-04 | Release date: | 2020-08-05 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Substrate Engagement and Catalytic Mechanisms of N-Acetylglucosaminyltransferase V Acs Catalysis, 2020
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6YBJ
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![BU of 6ybj by Molmil](/molmil-images/mine/6ybj) | Structure of MBP-Mcl-1 in complex with compound 3e | Descriptor: | (2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(5-fluoranylfuran-2-yl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-[2-[(2-methylpyrazol-3-yl)methoxy]phenyl]propanoic acid, CHLORIDE ION, Maltose/maltodextrin-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, ... | Authors: | Dokurno, P, Surgenor, A.E, Murray, J.B. | Deposit date: | 2020-03-17 | Release date: | 2020-11-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Discovery of S64315, a Potent and Selective Mcl-1 Inhibitor. J.Med.Chem., 63, 2020
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6YBL
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![BU of 6ybl by Molmil](/molmil-images/mine/6ybl) | Structure of MBP-Mcl-1 in complex with compound 9m | Descriptor: | (2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-[2-[[2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy]phenyl]propanoic acid, Maltose/maltodextrin-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Dokurno, P, Surgenor, A.E, Murray, J.B. | Deposit date: | 2020-03-17 | Release date: | 2020-11-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Discovery of S64315, a Potent and Selective Mcl-1 Inhibitor. J.Med.Chem., 63, 2020
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6YBG
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![BU of 6ybg by Molmil](/molmil-images/mine/6ybg) | Structure of Mcl-1 in complex with compound 2g | Descriptor: | (2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(3-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-(2-methoxyphenyl)propanoic acid, CHLORIDE ION, Induced myeloid leukemia cell differentiation protein Mcl-1 | Authors: | Dokurno, P, Surgenor, A.E, Murray, J.B. | Deposit date: | 2020-03-17 | Release date: | 2020-11-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Discovery of S64315, a Potent and Selective Mcl-1 Inhibitor. J.Med.Chem., 63, 2020
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6YJV
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![BU of 6yjv by Molmil](/molmil-images/mine/6yjv) | Crystal structure of unliganded MGAT5 (alpha-1,6-mannosylglycoprotein 6-beta-N-acetylglucosaminyltransferase V) luminal domain with a Lys329-Ile345 loop truncation, in complex with UDP-2-deoxy-2-fluoroglucose and biantennary pentasaccharide M592 | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]alpha-D-mannopyranose, ... | Authors: | Wu, L, Darby, J.F, Gilio, A.K, Davies, G.J. | Deposit date: | 2020-04-04 | Release date: | 2020-08-05 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Substrate Engagement and Catalytic Mechanisms of N-Acetylglucosaminyltransferase V Acs Catalysis, 2020
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6YJU
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![BU of 6yju by Molmil](/molmil-images/mine/6yju) | Crystal structure of MGAT5 (alpha-1,6-mannosylglycoprotein 6-beta-N-acetylglucosaminyltransferase V) luminal domain with a Lys329-Ile345 loop truncation, in complex with UDP and biantennary pentasaccharide M592 | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]alpha-D-mannopyranose, ... | Authors: | Wu, L, Darby, J.F, Gilio, A.K, Davies, G.J. | Deposit date: | 2020-04-04 | Release date: | 2020-08-05 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Substrate Engagement and Catalytic Mechanisms of N-Acetylglucosaminyltransferase V Acs Catalysis, 2020
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6YJR
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![BU of 6yjr by Molmil](/molmil-images/mine/6yjr) | Crystal structure of unliganded MGAT5 (alpha-1,6-mannosylglycoprotein 6-beta-N-acetylglucosaminyltransferase V) luminal domain. | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-1,6-mannosylglycoprotein 6-beta-N-acetylglucosaminyltransferase A, ... | Authors: | Wu, L, Darby, J.F, Gilio, A.K, Davies, G.J. | Deposit date: | 2020-04-04 | Release date: | 2020-08-05 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.198 Å) | Cite: | Substrate Engagement and Catalytic Mechanisms of N-Acetylglucosaminyltransferase V Acs Catalysis, 2020
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4INS
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![BU of 4ins by Molmil](/molmil-images/mine/4ins) | THE STRUCTURE OF 2ZN PIG INSULIN CRYSTALS AT 1.5 ANGSTROMS RESOLUTION | Descriptor: | INSULIN (CHAIN A), INSULIN (CHAIN B), ZINC ION | Authors: | Dodson, G.G, Dodson, E.J, Hodgkin, D.C, Isaacs, N.W, Vijayan, M. | Deposit date: | 1989-07-10 | Release date: | 1990-04-15 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | The structure of 2Zn pig insulin crystals at 1.5 A resolution. Philos.Trans.R.Soc.London,Ser.B, 319, 1988
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1QKN
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![BU of 1qkn by Molmil](/molmil-images/mine/1qkn) | |
1QKM
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![BU of 1qkm by Molmil](/molmil-images/mine/1qkm) | |
1HJ1
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![BU of 1hj1 by Molmil](/molmil-images/mine/1hj1) | RAT OESTROGEN RECEPTOR BETA LIGAND-BINDING DOMAIN IN COMPLEX WITH PURE ANTIOESTROGEN ICI164,384 | Descriptor: | N-BUTYL-11-[(7R,8R,9S,13S,14S,17S)-3,17-DIHYDROXY-13-METHYL-7,8,9,11,12,13,14,15,16,17-DECAHYDRO-6H-CYCLOPENTA[A]PHENANTHREN-7-YL]-N-METHYLUNDECANAMIDE, NICKEL (II) ION, OESTROGEN RECEPTOR BETA, ... | Authors: | Pike, A.C.W, Brzozowski, A.M, Carlquist, M. | Deposit date: | 2001-01-08 | Release date: | 2002-01-04 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural Insights Into the Mode of Action of a Pure Antiestrogen Structure, 9, 2001
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1YCA
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![BU of 1yca by Molmil](/molmil-images/mine/1yca) | DISTAL POCKET POLARITY IN LIGAND BINDING TO MYOGLOBIN: DEOXY AND CARBONMONOXY FORMS OF A THREONINE68 (E11) MUTANT INVESTIGATED BY X-RAY CRYSTALLOGRAPHY AND INFRARED SPECTROSCOPY | Descriptor: | CARBON MONOXIDE, MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Cameron, A.D, Smerdon, S.J, Wilkinson, A.J, Habash, J, Helliwell, J.R. | Deposit date: | 1993-08-10 | Release date: | 1994-01-31 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Distal pocket polarity in ligand binding to myoglobin: deoxy and carbonmonoxy forms of a threonine68(E11) mutant investigated by X-ray crystallography and infrared spectroscopy. Biochemistry, 32, 1993
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1YCB
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![BU of 1ycb by Molmil](/molmil-images/mine/1ycb) | DISTAL POCKET POLARITY IN LIGAND BINDING TO MYOGLOBIN: DEOXY AND CARBONMONOXY FORMS OF A THREONINE68 (E11) MUTANT INVESTIGATED BY X-RAY CRYSTALLOGRAPHY AND INFRARED SPECTROSCOPY | Descriptor: | MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Cameron, A.D, Smerdon, S.J, Wilkinson, A.J, Habash, J, Helliwell, J.R. | Deposit date: | 1993-08-10 | Release date: | 1994-01-31 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Distal pocket polarity in ligand binding to myoglobin: deoxy and carbonmonoxy forms of a threonine68(E11) mutant investigated by X-ray crystallography and infrared spectroscopy. Biochemistry, 32, 1993
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4ENG
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![BU of 4eng by Molmil](/molmil-images/mine/4eng) | STRUCTURE OF ENDOGLUCANASE V CELLOHEXAOSE COMPLEX | Descriptor: | ENDOGLUCANASE V CELLOHEXAOSE COMPLEX, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Davies, G.J, Schulein, M. | Deposit date: | 1996-10-17 | Release date: | 1997-06-16 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure determination and refinement of the Humicola insolens endoglucanase V at 1.5 A resolution. Acta Crystallogr.,Sect.D, 52, 1996
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6INS
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![BU of 6ins by Molmil](/molmil-images/mine/6ins) | X-RAY ANALYSIS OF THE SINGLE CHAIN B29-A1 PEPTIDE-LINKED INSULIN MOLECULE. A COMPLETELY INACTIVE ANALOGUE | Descriptor: | INSULIN, ZINC ION | Authors: | Derewenda, U, Derewenda, Z, Dodson, E.J, Dodson, G.G, Bing, X, Markussen, J. | Deposit date: | 1992-11-25 | Release date: | 1994-01-31 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | X-ray analysis of the single chain B29-A1 peptide-linked insulin molecule. A completely inactive analogue. J.Mol.Biol., 220, 1991
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1MYJ
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![BU of 1myj by Molmil](/molmil-images/mine/1myj) | DISTAL POLARITY IN LIGAND BINDING TO MYOGLOBIN: STRUCTURAL AND FUNCTIONAL CHARACTERIZATION OF A THREONINE68(E11) MUTANT | Descriptor: | MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | Authors: | Smerdon, S.J, Oldfield, T.J, Wilkinson, A.J, Dauter, Z, Petratos, K, Wilson, K.S. | Deposit date: | 1992-02-27 | Release date: | 1994-01-31 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Distal pocket polarity in ligand binding to myoglobin: structural and functional characterization of a threonine68(E11) mutant. Biochemistry, 30, 1991
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1MYG
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![BU of 1myg by Molmil](/molmil-images/mine/1myg) | HIGH RESOLUTION X-RAY STRUCTURES OF PIG METMYOGLOBIN AND TWO CD3 MUTANTS MB(LYS45-> ARG) AND MB(LYS45-> SER) | Descriptor: | MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | Authors: | Smerdon, S.J, Oldfield, T.J, Wilkinson, A.J, Dauter, Z, Petratos, K, Wilson, K.S. | Deposit date: | 1992-02-27 | Release date: | 1994-01-31 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | High-resolution X-ray structures of pig metmyoglobin and two CD3 mutants: Mb(Lys45----Arg) and Mb(Lys45----Ser). Biochemistry, 31, 1992
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1MYI
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![BU of 1myi by Molmil](/molmil-images/mine/1myi) | HIGH RESOLUTION X-RAY STRUCTURES OF PIG METMYOGLOBIN AND TWO CD3 MUTANTS MB(LYS45-> ARG) AND MB(LYS45-> SER) | Descriptor: | MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Smerdon, S.J, Oldfield, T.J, Wilkinson, A.J, Dauter, Z, Petratos, K, Wilson, K.S. | Deposit date: | 1992-02-27 | Release date: | 1994-01-31 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | High-resolution X-ray structures of pig metmyoglobin and two CD3 mutants: Mb(Lys45----Arg) and Mb(Lys45----Ser). Biochemistry, 31, 1992
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1MYH
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![BU of 1myh by Molmil](/molmil-images/mine/1myh) | HIGH RESOLUTION X-RAY STRUCTURES OF PIG METMYOGLOBIN AND TWO CD3 MUTANTS MB(LYS45-> ARG) AND MB(LYS45-> SER) | Descriptor: | MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | Authors: | Smerdon, S.J, Oldfield, T.J, Wilkinson, A.J, Dauter, Z, Petratos, K, Wilson, K.S. | Deposit date: | 1992-02-27 | Release date: | 1994-01-31 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | High-resolution X-ray structures of pig metmyoglobin and two CD3 mutants: Mb(Lys45----Arg) and Mb(Lys45----Ser). Biochemistry, 31, 1992
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5C7R
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![BU of 5c7r by Molmil](/molmil-images/mine/5c7r) | Revealing surface waters on an antifreeze protein by fusion protein crystallography | Descriptor: | Fusion protein of Maltose-binding periplasmic protein and Type-3 ice-structuring protein HPLC 12, SULFATE ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Sun, T, Gauthier, S, Campbell, R.L, Davies, P.L. | Deposit date: | 2015-06-24 | Release date: | 2015-09-30 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Revealing Surface Waters on an Antifreeze Protein by Fusion Protein Crystallography Combined with Molecular Dynamic Simulations. J.Phys.Chem.B, 119, 2015
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7AJ4
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![BU of 7aj4 by Molmil](/molmil-images/mine/7aj4) | Structure of DYRK1A in complex with compound 5 | Descriptor: | 4-(4-chloranyl-3-methoxy-phenyl)pyridin-2-amine, CHLORIDE ION, Dual specificity tyrosine-phosphorylation-regulated kinase 1A | Authors: | Dokurno, P, Surgenor, A.E, Kotschy, A. | Deposit date: | 2020-09-28 | Release date: | 2021-05-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors. J.Med.Chem., 64, 2021
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