6O5T
 
 | | Crystal Structure of VIM-2 with Compound 16 | | Descriptor: | ACETATE ION, Beta-lactamase class B VIM-2, ZINC ION, ... | | Authors: | Akhtar, A, Chen, Y. | | Deposit date: | 2019-03-04 | | Release date: | 2019-09-25 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases.
J.Med.Chem., 62, 2019
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6OVD
 | | Crystal structure of GluN1/GluN2A NMDA receptor agonist binding domains with glycine and antagonist, 3-ethylphenyl-ACEPC | | Descriptor: | (3S,5S)-5-[(2R)-2-amino-2-carboxyethyl]-1-(3-ethylphenyl)pyrazolidine-3-carboxylic acid, GLYCINE, Glutamate receptor ionotropic, ... | | Authors: | Syrenne, J.T, Mou, T.C, Tamborini, L, Pinto, A, Sprang, S.R, Hansen, K.B. | | Deposit date: | 2019-05-07 | | Release date: | 2020-05-13 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.102 Å) | | Cite: | Crystal structure of GluN1/GluN2A NMDA receptor agonist binding domains with glycine and antagonist, 3-ethylphenyl-ACEPC
To Be Published
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6OXO
 | | HIV-1 Protease NL4-3 WT in Complex with LR2-91 | | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[{[4-(hydroxymethyl)phenyl]sulfonyl}(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate, Protease NL4-3, SULFATE ION | | Authors: | Lockbaum, G.J, Rusere, L.N, Lee, S.K, Henes, M, Kosovrasti, K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | | Deposit date: | 2019-05-14 | | Release date: | 2019-08-21 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.003 Å) | | Cite: | HIV-1 Protease Inhibitors Incorporating Stereochemically Defined P2' Ligands To Optimize Hydrogen Bonding in the Substrate Envelope.
J.Med.Chem., 62, 2019
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6OXP
 | | HIV-1 Protease NL4-3 WT in Complex with UMass3 | | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-1-benzyl-2-hydroxy-3-({[4-(hydroxymethyl)phenyl]sulfonyl}[(2S)-2-methylbutyl]amino)propyl]carbamate, Protease NL4-3, SULFATE ION | | Authors: | Lockbaum, G.J, Rusere, L.N, Lee, S.K, Henes, M, Kosovrasti, K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | | Deposit date: | 2019-05-14 | | Release date: | 2019-08-21 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | HIV-1 Protease Inhibitors Incorporating Stereochemically Defined P2' Ligands To Optimize Hydrogen Bonding in the Substrate Envelope.
J.Med.Chem., 62, 2019
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6OXS
 | | HIV-1 Protease NL4-3 WT in Complex with LR-76 | | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[({4-[(1R)-1-hydroxyethyl]phenyl}sulfonyl)(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate, Protease NL4-3 | | Authors: | Lockbaum, G.J, Rusere, L.N, Lee, S.K, Henes, M, Kosovrasti, K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | | Deposit date: | 2019-05-14 | | Release date: | 2019-08-21 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.989 Å) | | Cite: | HIV-1 Protease Inhibitors Incorporating Stereochemically Defined P2' Ligands To Optimize Hydrogen Bonding in the Substrate Envelope.
J.Med.Chem., 62, 2019
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2WVU
 | | Crystal structure of a Michaelis complex of alpha-L-fucosidase GH29 from Bacteroides thetaiotaomicron with the synthetic substrate 4- nitrophenyl-alpha-L-fucose | | Descriptor: | 4-nitrophenyl 6-deoxy-alpha-L-galactopyranoside, ALPHA-L-FUCOSIDASE, SULFATE ION | | Authors: | Lammerts van Bueren, A, Ardevol, A, Fayers-Kerr, J, Luo, B, Zhang, Y, Sollogoub, M, Bleriot, Y, Rovira, C, Davies, G.J. | | Deposit date: | 2009-10-20 | | Release date: | 2010-02-02 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Analysis of the Reaction Coordinate of Alpha-L-Fucosidases: A Combined Structural and Quantum Mechanical Approach
J.Am.Chem.Soc., 132, 2010
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4MVK
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1PK4
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4WWS
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6Q85
 | | Structure of Fucosylated D-antimicrobial peptide SB11 in complex with the Fucose-binding lectin PA-IIL at 1.990 Angstrom resolution | | Descriptor: | 3,7-anhydro-2,8-dideoxy-L-glycero-D-gluco-octonic acid, AMINO GROUP, CALCIUM ION, ... | | Authors: | Baeriswyl, S, Stocker, A, Reymond, J.-L. | | Deposit date: | 2018-12-14 | | Release date: | 2019-03-20 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | X-ray Crystal Structures of Short Antimicrobial Peptides as Pseudomonas aeruginosa Lectin B Complexes.
Acs Chem.Biol., 14, 2019
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5I15
 | | CRYSTAL STRUCTURE OF HUMAN GERMLINE ANTIBODY IGHV1-69/IGKV1-39 | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, FAB HEAVY CHAIN, FAB LIGHT CHAIN | | Authors: | Teplyakov, A, Obmolova, G, Malia, T, Luo, J, Gilliland, G. | | Deposit date: | 2016-02-05 | | Release date: | 2016-06-08 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural diversity in a human antibody germline library.
Mabs, 8, 2016
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1GK0
 | | Structure-based prediction of modifications in glutarylamidase to allow single-step enzymatic production of 7-aminocephalosporanic acid from cephalosporin C | | Descriptor: | 1,2-ETHANEDIOL, CEPHALOSPORIN ACYLASE, PHOSPHATE ION | | Authors: | Fritz-Wolf, K, Koller, K.P, Lange, G, Liesum, A, Sauber, K, Schreuder, H, Aretz, W, Kabsch, W. | | Deposit date: | 2001-08-07 | | Release date: | 2002-01-01 | | Last modified: | 2019-05-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure-Based Prediction of Modifications in Glutarylamidase to Allow Single-Step Enzymatic Production of 7-Aminocephalosporanic Acid from Cephalosporin C.
Protein Sci., 11, 2002
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1MBE
 | | MOUSE C-MYB DNA-BINDING DOMAIN REPEAT 1 | | Descriptor: | MYB PROTO-ONCOGENE PROTEIN | | Authors: | Ogata, K, Morikawa, S, Nakamura, H, Hojo, H, Yoshimura, S, Zhang, R, Aimoto, S, Ametani, Y, Hirata, Z, Sarai, A, Ishii, S, Nishimura, Y. | | Deposit date: | 1995-05-19 | | Release date: | 1995-07-31 | | Last modified: | 2024-06-05 | | Method: | SOLUTION NMR | | Cite: | Comparison of the free and DNA-complexed forms of the DNA-binding domain from c-Myb.
Nat.Struct.Biol., 2, 1995
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2VUZ
 | | Crystal structure of Codakine in complex with biantennary nonasaccharide at 1.7A resolution | | Descriptor: | 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)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CODAKINE, ... | | Authors: | Gourdine, J.P, Cioci, G.C, Miguet, L, Unverzagt, C, Varrot, A, Gauthier, C, Smith-Ravin, E.J, Imberty, A. | | Deposit date: | 2008-06-02 | | Release date: | 2008-08-05 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | High Affinity Interaction between a Bivalve C-Type Lectin and a Biantennary Complex-Type N-Glycan Revealed by Crystallography and Microcalorimetry.
J.Biol.Chem., 283, 2008
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1MBG
 | | MOUSE C-MYB DNA-BINDING DOMAIN REPEAT 2 | | Descriptor: | MYB PROTO-ONCOGENE PROTEIN | | Authors: | Ogata, K, Morikawa, S, Nakamura, H, Hojo, H, Yoshimura, S, Zhang, R, Aimoto, S, Ametani, Y, Hirata, Z, Sarai, A, Ishii, S, Nishimura, Y. | | Deposit date: | 1995-05-19 | | Release date: | 1995-07-31 | | Last modified: | 2024-06-05 | | Method: | SOLUTION NMR | | Cite: | Comparison of the free and DNA-complexed forms of the DNA-binding domain from c-Myb.
Nat.Struct.Biol., 2, 1995
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7Z1S
 | | X-ray crystal structure of SLPYL1-NIO complex | | Descriptor: | GLYCEROL, NICOTINIC ACID, SlPYL1-NIO | | Authors: | Infantes, L, Albert, A. | | Deposit date: | 2022-02-25 | | Release date: | 2022-07-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structure-Based Modulation of the Ligand Sensitivity of a Tomato Dimeric Abscisic Acid Receptor Through a Glu to Asp Mutation in the Latch Loop.
Front Plant Sci, 13, 2022
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1MBK
 | | MOUSE C-MYB DNA-BINDING DOMAIN REPEAT 3 | | Descriptor: | MYB PROTO-ONCOGENE PROTEIN | | Authors: | Ogata, K, Morikawa, S, Nakamura, H, Hojo, H, Yoshimura, S, Zhang, R, Aimoto, S, Ametani, Y, Hirata, Z, Sarai, A, Ishii, S, Nishimura, Y. | | Deposit date: | 1995-05-19 | | Release date: | 1995-07-31 | | Last modified: | 2024-06-05 | | Method: | SOLUTION NMR | | Cite: | Comparison of the free and DNA-complexed forms of the DNA-binding domain from c-Myb.
Nat.Struct.Biol., 2, 1995
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6PXY
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1MBH
 | | MOUSE C-MYB DNA-BINDING DOMAIN REPEAT 2 | | Descriptor: | C-MYB | | Authors: | Ogata, K, Morikawa, S, Nakamura, H, Hojo, H, Yoshimura, S, Zhang, R, Aimoto, S, Ametani, Y, Hirata, Z, Sarai, A, Ishii, S, Nishimura, Y. | | Deposit date: | 1995-05-19 | | Release date: | 1995-09-15 | | Last modified: | 2024-06-05 | | Method: | SOLUTION NMR | | Cite: | Comparison of the free and DNA-complexed forms of the DNA-binding domain from c-Myb.
Nat.Struct.Biol., 2, 1995
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6PYY
 | | Crystal Structure of human Tryptophan 2,3-dioxygenase in complex with PF-06840003 in Active Site and Exo site | | Descriptor: | (3S)-3-(5-fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione, PROTOPORPHYRIN IX CONTAINING FE, Tryptophan 2,3-dioxygenase | | Authors: | Pham, K.N, Lewis-Ballester, A, Yeh, S.R. | | Deposit date: | 2019-07-31 | | Release date: | 2020-01-01 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural Basis of Inhibitor Selectivity in Human Indoleamine 2,3-Dioxygenase 1 and Tryptophan Dioxygenase.
J.Am.Chem.Soc., 141, 2019
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2W2R
 | | Structure of the vesicular stomatitis virus matrix protein | | Descriptor: | MATRIX PROTEIN | | Authors: | Graham, S.C, Assenberg, R, Delmas, O, Verma, A, Gholami, A, Talbi, C, Owens, R.J, Stuart, D.I, Grimes, J.M, Bourhy, H. | | Deposit date: | 2008-11-03 | | Release date: | 2009-01-13 | | Last modified: | 2019-05-08 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Rhabdovirus Matrix Protein Structures Reveal a Novel Mode of Self-Association.
Plos Pathog., 4, 2008
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2W31
 | | globin domain of Geobacter sulfurreducens globin-coupled sensor | | Descriptor: | GLOBIN, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Pesce, A, Thijs, L, Nardini, M, Desmet, F, Sisinni, L, Gourlay, L, Bolli, A, Coletta, M, Van Doorslaer, S, Wan, X, Alam, M, Ascenzi, P, Moens, L, Bolognesi, M, Dewilde, S. | | Deposit date: | 2008-11-05 | | Release date: | 2009-01-13 | | Last modified: | 2019-03-06 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Hise11 and Hisf8 Provide Bis-Histidyl Heme Hexa-Coordination in the Globin Domain of Geobacter Sulfurreducens Globin-Coupled Sensor.
J.Mol.Biol., 386, 2009
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7Z1Q
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7Z1P
 | | X-ray crystal structure of SLPYL1-E151D mutant | | Descriptor: | SLPYL1-E151D | | Authors: | Infantes, L, Albert, A. | | Deposit date: | 2022-02-25 | | Release date: | 2022-07-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Structure-Based Modulation of the Ligand Sensitivity of a Tomato Dimeric Abscisic Acid Receptor Through a Glu to Asp Mutation in the Latch Loop.
Front Plant Sci, 13, 2022
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1MQR
 | | THE CRYSTAL STRUCTURE OF ALPHA-D-GLUCURONIDASE (E386Q) FROM BACILLUS STEAROTHERMOPHILUS T-6 | | Descriptor: | ALPHA-D-GLUCURONIDASE, GLYCEROL | | Authors: | Golan, G, Shallom, D, Teplitsky, A, Zaide, G, Shulami, S, Baasov, T, Stojanoff, V, Thompson, A, Shoham, Y, Shoham, G. | | Deposit date: | 2002-09-17 | | Release date: | 2003-09-17 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structures of Geobacillus stearothermophilus {alpha}-Glucuronidase Complexed with Its Substrate and Products: MECHANISTIC IMPLICATIONS.
J.Biol.Chem., 279, 2004
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