4RP1
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8W8Q
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![BU of 8w8q by Molmil](/molmil-images/mine/8w8q) | Cryo-EM structure of the GPR101-Gs complex | Descriptor: | 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, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ... | Authors: | Sun, J.P, Gao, N, Yu, X, Wang, G.P, Yang, F, Wang, J.Y, Yang, Z, Guan, Y. | Deposit date: | 2023-09-04 | Release date: | 2024-01-03 | Last modified: | 2024-04-10 | Method: | ELECTRON MICROSCOPY (2.89 Å) | Cite: | Structure of GPR101-Gs enables identification of ligands with rejuvenating potential. Nat.Chem.Biol., 20, 2024
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4RRN
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![BU of 4rrn by Molmil](/molmil-images/mine/4rrn) | 8-Tetrahydropyran-2-yl chromans: highly selective beta-site amyloid precursor protein cleaving enzyme 1 (BACE1) inhibitors | Descriptor: | (4S,4a'S,10a'R)-2-amino-8'-(2-fluoropyridin-3-yl)-1-methyl-3',4',4a',10a'-tetrahydro-2'H-spiro[imidazole-4,10'-pyrano[3,2-b]chromen]-5(1H)-one, Beta-secretase 1, NICKEL (II) ION | Authors: | Thomas, A.A, Hunt, K.W, Newhouse, B, Watts, R.J, Liu, X, Vigers, G.P.A, Smith, D, Rhodes, S.P, Brown, K.D, Otten, J.N, Burkard, M, Cox, A.A, Geck Do, M.K, Dutcher, D, Rana, S, DeLisle, R.K, Regal, K, Wright, A.D, Groneberg, R, Liao, J, Scearce-Levie, K, Siu, M, Purkey, H.E, Lyssikatos, J.P. | Deposit date: | 2014-11-06 | Release date: | 2014-12-03 | Last modified: | 2014-12-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | 8-Tetrahydropyran-2-yl Chromans: Highly Selective Beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) Inhibitors. J.Med.Chem., 57, 2014
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8ZOZ
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![BU of 8zoz by Molmil](/molmil-images/mine/8zoz) | Crystal structure of the complex of glyceraldehyde-3-phosphate dehydrogenase of type B from Acinetobacter baumannii with Adenosine monophosphate at 3.20 A resolution. | Descriptor: | ADENOSINE MONOPHOSPHATE, Glyceraldehyde-3-phosphate dehydrogenase, SULFATE ION | Authors: | Pahuja, P, Viswanathan, V, Kumari, A, Singh, A, Kumar, A, Sharma, P, Chopra, S, Sharma, S, Raje, C.I, Singh, T.P. | Deposit date: | 2024-05-29 | Release date: | 2024-06-12 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Crystal structure of the complex of glyceraldehyde-3-phosphate dehydrogenase of type B from Acinetobacter baumannii with Adenosine monophosphate at 3.20 A resolution. To Be Published
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9BK3
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![BU of 9bk3 by Molmil](/molmil-images/mine/9bk3) | Crystal structure of Lactate dehydrogenase in complex with 4-((4-(1-methyl-1H-imidazole-2-carbonyl)phenyl)amino)-4-oxo-2-(4-(trifluoromethyl)phenyl)butanoic acid (R-enantiomer, orthorhombic P form) | Descriptor: | (2R)-4-[4-(1-methyl-1H-imidazole-2-carbonyl)anilino]-4-oxo-2-[4-(trifluoromethyl)phenyl]butanoic acid, CHLORIDE ION, L-lactate dehydrogenase A chain, ... | Authors: | Lovell, S, Cooper, A, Battaile, K.P, Sharma, H. | Deposit date: | 2024-04-26 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Synthesis and biological characterization of an orally bioavailable lactate dehydrogenase-A inhibitor against pancreatic cancer. Eur.J.Med.Chem., 275, 2024
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8W8S
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![BU of 8w8s by Molmil](/molmil-images/mine/8w8s) | Cryo-EM structure of the AA14-bound GPR101 complex | Descriptor: | 1-(4-methylpyridin-2-yl)-3-[3-(trifluoromethyl)phenyl]thiourea, Probable G-protein coupled receptor 101 | Authors: | Sun, J.P, Yu, X, Gao, N, Yang, F, Wang, J.Y, Yang, Z, Guan, Y, Wang, G.P. | Deposit date: | 2023-09-04 | Release date: | 2024-01-03 | Last modified: | 2024-04-10 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structure of GPR101-Gs enables identification of ligands with rejuvenating potential. Nat.Chem.Biol., 20, 2024
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8W8R
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![BU of 8w8r by Molmil](/molmil-images/mine/8w8r) | Cryo-EM structure of the AA-14-bound GPR101-Gs complex | Descriptor: | 1-(4-methylpyridin-2-yl)-3-[3-(trifluoromethyl)phenyl]thiourea, 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: | Sun, J.P, Yu, X, Gao, N, Yang, F, Wang, J.Y, Yang, Z, Guan, Y, Wang, G.P. | Deposit date: | 2023-09-04 | Release date: | 2024-01-03 | Last modified: | 2024-04-10 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structure of GPR101-Gs enables identification of ligands with rejuvenating potential. Nat.Chem.Biol., 20, 2024
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4S26
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![BU of 4s26 by Molmil](/molmil-images/mine/4s26) | Crystal structure of Arabidopsis thaliana ThiC with bound imidazole ribonucleotide, S-adenosylhomocysteine, Fe4S4 cluster and Zn (monoclinic crystal form) | Descriptor: | 1-(5-O-phosphono-beta-D-ribofuranosyl)-1H-imidazole, CHLORIDE ION, IRON/SULFUR CLUSTER, ... | Authors: | Fenwick, M.K, Mehta, A.P, Zhang, Y, Abdelwahed, S, Begley, T.P, Ealick, S.E. | Deposit date: | 2015-01-19 | Release date: | 2015-04-08 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Non-canonical active site architecture of the radical SAM thiamin pyrimidine synthase. Nat Commun, 6
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4TGF
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![BU of 4tgf by Molmil](/molmil-images/mine/4tgf) | SOLUTION STRUCTURES OF HUMAN TRANSFORMING GROWTH FACTOR ALPHA DERIVED FROM 1*H NMR DATA | Descriptor: | DES-VAL-1,VAL-2,TRANSFORMING GROWTH FACTOR, ALPHA | Authors: | Kline, T.P, Brown, F.K, Brown, S.C, Jeffs, P.W, Kopple, K.D, Mueller, L. | Deposit date: | 1990-06-13 | Release date: | 1991-10-15 | Last modified: | 2017-11-29 | Method: | SOLUTION NMR | Cite: | Solution structures of human transforming growth factor alpha derived from 1H NMR data. Biochemistry, 29, 1990
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4RO8
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1A75
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![BU of 1a75 by Molmil](/molmil-images/mine/1a75) | WHITING PARVALBUMIN | Descriptor: | CALCIUM ION, PARVALBUMIN | Authors: | Declercq, J.P, Baneres, J.L, Rambaud, J, Parello, J. | Deposit date: | 1998-03-19 | Release date: | 1998-06-17 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Tertiary Structure of a Trp-Containing Parvalbumin from Whiting (Merlangius Merlangus). Description of the Hydrophobic Core To be Published
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1A28
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4U1M
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![BU of 4u1m by Molmil](/molmil-images/mine/4u1m) | HLA class I micropolymorphisms determine peptide-HLA landscape and dictate differential HIV-1 escape through identical epitopes | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, GLYCEROL, ... | Authors: | Rizkallah, P.J, Cole, D.K, Fuller, A, Sewell, A.K. | Deposit date: | 2014-07-15 | Release date: | 2015-04-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.18 Å) | Cite: | A molecular switch in immunodominant HIV-1-specific CD8 T-cell epitopes shapes differential HLA-restricted escape. Retrovirology, 12, 2015
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4TZU
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![BU of 4tzu by Molmil](/molmil-images/mine/4tzu) | Crystal Structure of Murine Cereblon in Complex with Pomalidomide | Descriptor: | Protein cereblon, S-Pomalidomide, SULFATE ION, ... | Authors: | Chamberlain, P.P, Pagarigan, B, Delker, S, Leon, B. | Deposit date: | 2014-07-10 | Release date: | 2014-08-06 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Basis for Responsiveness to Thalidomide-Analog Drugs Defined by the Crystal Structure of the Human Cereblon:DDB1:Lenalidomide Complex to be published
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1A2W
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![BU of 1a2w by Molmil](/molmil-images/mine/1a2w) | CRYSTAL STRUCTURE OF A 3D DOMAIN-SWAPPED DIMER OF BOVINE PANCREATIC RIBONUCLEASE A | Descriptor: | CHLORIDE ION, RIBONUCLEASE A, SULFATE ION | Authors: | Liu, Y, Hart, P.J, Schlunegger, M.P, Eisenberg, D.S. | Deposit date: | 1998-01-12 | Release date: | 1998-04-29 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The crystal structure of a 3D domain-swapped dimer of RNase A at a 2.1-A resolution. Proc.Natl.Acad.Sci.USA, 95, 1998
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1AA5
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![BU of 1aa5 by Molmil](/molmil-images/mine/1aa5) | VANCOMYCIN | Descriptor: | ACETIC ACID, CHLORIDE ION, VANCOMYCIN, ... | Authors: | Loll, P.J, Bevivino, A.E, Korty, B.D, Axelsen, P.H. | Deposit date: | 1997-01-23 | Release date: | 1997-08-20 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (0.89 Å) | Cite: | Simultaneous Recognition of a Carboxylate-Containing Ligand and an Intramolecular Surrogate Ligand in the Crystal Structure of an Asymmetric Vancomycin Dimer. J.Am.Chem.Soc., 119, 1997
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4U1N
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![BU of 4u1n by Molmil](/molmil-images/mine/4u1n) | HLA class I micropolymorphisms determine peptide-HLA landscape and dictate differential HIV-1 escape through identical epitopes | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, GLYCEROL, ... | Authors: | Rizkallah, P.J, Cole, D.K, Fuller, A, Sewell, A.K. | Deposit date: | 2014-07-15 | Release date: | 2015-04-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | A molecular switch in immunodominant HIV-1-specific CD8 T-cell epitopes shapes differential HLA-restricted escape. Retrovirology, 12, 2015
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4U1S
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![BU of 4u1s by Molmil](/molmil-images/mine/4u1s) | HLA class I micropolymorphisms determine peptide-HLA landscape and dictate differential HIV-1 escape through identical epitopes | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, GLYCEROL, ... | Authors: | Rizkallah, P.J, Cole, D.K, Fuller, A, Sewell, A.K. | Deposit date: | 2014-07-16 | Release date: | 2015-04-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | A molecular switch in immunodominant HIV-1-specific CD8 T-cell epitopes shapes differential HLA-restricted escape. Retrovirology, 12, 2015
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4TZC
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![BU of 4tzc by Molmil](/molmil-images/mine/4tzc) | Crystal Structure of Murine Cereblon in Complex with Thalidomide | Descriptor: | Protein cereblon, S-Thalidomide, SULFATE ION, ... | Authors: | Chamberlain, P.P, Pagarigan, B, Delker, S, Leon, B. | Deposit date: | 2014-07-10 | Release date: | 2014-08-06 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Structural Basis for Responsiveness to Thalidomide-Analog Drugs Defined by the Crystal Structure of the Human Cereblon:DDB1:Lenalidomide Complex to be published
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1AJ5
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![BU of 1aj5 by Molmil](/molmil-images/mine/1aj5) | CALPAIN DOMAIN VI APO | Descriptor: | CALPAIN | Authors: | Cygler, M, Grochulski, P, Blanchard, H. | Deposit date: | 1997-05-15 | Release date: | 1998-05-20 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of a calpain Ca(2+)-binding domain reveals a novel EF-hand and Ca(2+)-induced conformational changes. Nat.Struct.Biol., 4, 1997
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1A1T
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![BU of 1a1t by Molmil](/molmil-images/mine/1a1t) | STRUCTURE OF THE HIV-1 NUCLEOCAPSID PROTEIN BOUND TO THE SL3 PSI-RNA RECOGNITION ELEMENT, NMR, 25 STRUCTURES | Descriptor: | NUCLEOCAPSID PROTEIN, SL3 STEM-LOOP RNA, ZINC ION | Authors: | De Guzman, R.N, Wu, Z.R, Stalling, C.C, Pappalardo, L, Borer, P.N, Summers, M.F. | Deposit date: | 1997-12-15 | Release date: | 1998-06-17 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Structure of the HIV-1 nucleocapsid protein bound to the SL3 psi-RNA recognition element. Science, 279, 1998
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4U1K
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![BU of 4u1k by Molmil](/molmil-images/mine/4u1k) | HLA class I micropolymorphisms determine peptide-HLA landscape and dictate differential HIV-1 escape through identical epitopes | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, GLYCEROL, ... | Authors: | Rizkallah, P.J, Cole, D.K, Fuller, A, Sewell, A.K. | Deposit date: | 2014-07-15 | Release date: | 2015-04-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | A molecular switch in immunodominant HIV-1-specific CD8 T-cell epitopes shapes differential HLA-restricted escape. Retrovirology, 12, 2015
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17RA
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![BU of 17ra by Molmil](/molmil-images/mine/17ra) | |
1AE5
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![BU of 1ae5 by Molmil](/molmil-images/mine/1ae5) | HUMAN HEPARIN BINDING PROTEIN | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HEPARIN BINDING PROTEIN | Authors: | Iversen, L.F, Kastrup, J.S, Bjorn, S.E, Rasmussen, P.B, Wiberg, F.C, Flodgaard, H.J, Larsen, I.K. | Deposit date: | 1997-03-05 | Release date: | 1998-03-11 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of HBP, a multifunctional protein with a serine proteinase fold. Nat.Struct.Biol., 4, 1997
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1A8O
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![BU of 1a8o by Molmil](/molmil-images/mine/1a8o) | HIV CAPSID C-TERMINAL DOMAIN | Descriptor: | HIV CAPSID | Authors: | Gamble, T.R, Yoo, S, Vajdos, F.F, Von Schwedler, U.K, Worthylake, D.K, Wang, H, Mccutcheon, J.P, Sundquist, W.I, Hill, C.P. | Deposit date: | 1998-03-27 | Release date: | 1998-10-14 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure of the carboxyl-terminal dimerization domain of the HIV-1 capsid protein. Science, 278, 1997
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