5M0M
 
 | | Structure-based evolution of a hybrid steroid series of Autotaxin inhibitors | | Descriptor: | (2R)-2-hydroxy-3-(phosphonooxy)propyl (9E)-octadec-9-enoate, CALCIUM ION, Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, ... | | Authors: | Keune, W.-J, Heidebrecht, T, Perrakis, A. | | Deposit date: | 2016-10-05 | | Release date: | 2017-08-16 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Rational Design of Autotaxin Inhibitors by Structural Evolution of Endogenous Modulators.
J. Med. Chem., 60, 2017
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5M0S
 | | Structure-based evolution of a hybrid steroid series of Autotaxin inhibitors | | Descriptor: | CALCIUM ION, Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, GLYCEROL, ... | | Authors: | Keune, W.-J, Heidebrecht, T, Perrakis, A. | | Deposit date: | 2016-10-05 | | Release date: | 2017-08-16 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Rational Design of Autotaxin Inhibitors by Structural Evolution of Endogenous Modulators.
J. Med. Chem., 60, 2017
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5O47
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1L6X
 | | FC FRAGMENT OF RITUXIMAB BOUND TO A MINIMIZED VERSION OF THE B-DOMAIN FROM PROTEIN A CALLED Z34C | | Descriptor: | IMMUNOGLOBULIN GAMMA-1 HEAVY CHAIN CONSTANT REGION, Minimized B-domain of Protein A Z34C, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[beta-D-galactopyranose-(1-4)-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)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Idusogie, E.E, Presta, L.G, Santoro-Gazzano, H, Totpal, K, Wong, P.Y, Ultsch, M, Meng, Y.G, Mullkerrin, M.G. | | Deposit date: | 2002-03-14 | | Release date: | 2002-04-10 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Mapping of the C1q binding site on rituxan, a chimeric antibody with a human IgG1 Fc.
J.Immunol., 164, 2000
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1JTW
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5O4E
 | | Crystal structure of VEGF in complex with heterodimeric Fcab JanusCT6 | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | | Authors: | Mlynek, G, Lobner, E, Kubinger, K, Humm, A, Obinger, C, Djinovic-Carugo, K. | | Deposit date: | 2017-05-29 | | Release date: | 2017-08-30 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Two-faced Fcab prevents polymerization with VEGF and reveals thermodynamics and the 2.15 angstrom crystal structure of the complex.
MAbs, 9, 2017
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1LOF
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1LGB
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1L7I
 | | Crystal Structure of the anti-ErbB2 Fab2C4 | | Descriptor: | SULFATE ION, chimera of Fab2C4: "humanized" murine monoclonal antibody | | Authors: | Vajdos, F.F, Adams, C.W, Breece, T.N, Presta, L.G, de Vos, A.M, Sidhu, S.S. | | Deposit date: | 2002-03-15 | | Release date: | 2002-07-10 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Comprehensive functional maps of the antigen-binding site of an anti-ErbB2 antibody obtained with shotgun scanning mutagenesis.
J.Mol.Biol., 320, 2002
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1LUD
 | | SOLUTION STRUCTURE OF DIHYDROFOLATE REDUCTASE COMPLEXED WITH TRIMETHOPRIM AND NADPH, 24 STRUCTURES | | Descriptor: | 2,4-DIAMINO-5-(3,4,5-TRIMETHOXY-BENZYL)-PYRIMIDIN-1-IUM, DIHYDROFOLATE REDUCTASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Polshakov, V.I, Smirnov, E.G, Birdsall, B, Kelly, G, Feeney, J. | | Deposit date: | 2002-05-22 | | Release date: | 2002-12-18 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | NMR-based solution structure of the complex of Lactobacillus casei dihydrofolate reductase with trimethoprim and NADPH
J.Biomol.Nmr, 24, 2002
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1LR1
 | | Solution Structure of the Oligomerization Domain of the Bacterial Chromatin-Structuring Protein H-NS | | Descriptor: | dna-binding protein h-ns | | Authors: | Esposito, D, Petrovic, A, Harris, R, Ono, S, Eccleston, J, Mbabaali, A, Haq, I, Higgins, C.F, Hinton, J.C.D, Driscoll, P.C, Ladbury, J.E. | | Deposit date: | 2002-05-14 | | Release date: | 2003-01-14 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | H-NS Oligomerization Domain Structure Reveals the Mechanism for High Order
Self-association of the Intact Protein
J.Mol.Biol., 324, 2002
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1LFO
 | | LIVER FATTY ACID BINDING PROTEIN-OLEATE COMPLEX | | Descriptor: | BUTENOIC ACID, LIVER FATTY ACID BINDING PROTEIN, OLEIC ACID, ... | | Authors: | Thompson, J, Winter, N, Terwey, D, Bratt, J, Banaszak, L. | | Deposit date: | 1996-12-09 | | Release date: | 1997-06-16 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The crystal structure of the liver fatty acid-binding protein. A complex with two bound oleates.
J.Biol.Chem., 272, 1997
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1LZL
 | | Bacterial Heroin Esterase | | Descriptor: | HEROIN ESTERASE | | Authors: | Zhu, X, Larsen, N.A, Basran, A, Bruce, N.C, Wilson, I.A. | | Deposit date: | 2002-06-10 | | Release date: | 2003-01-28 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | OBSERVATION OF AN ARSENIC ADDUCT IN AN ACETYL ESTERASE CRYSTAL STRUCTURE
J.Biol.Chem., 278, 2003
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1MCO
 | | THREE-DIMENSIONAL STRUCTURE OF A HUMAN IMMUNOGLOBULIN WITH A HINGE DELETION | | Descriptor: | IGG1 MCG INTACT ANTIBODY (HEAVY CHAIN), IGG1 MCG INTACT ANTIBODY (LIGHT CHAIN), N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-L-gulopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Guddat, L.W, Edmundson, A.B. | | Deposit date: | 1993-02-25 | | Release date: | 1994-01-31 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Three-dimensional structure of a human immunoglobulin with a hinge deletion.
Proc.Natl.Acad.Sci.Usa, 90, 1993
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1LZK
 | | BACTERIAL HEROIN ESTERASE COMPLEX WITH TRANSITION STATE ANALOG DIMETHYLARSENIC ACID | | Descriptor: | CACODYLATE ION, HEROIN ESTERASE | | Authors: | Zhu, X, Larsen, N.A, Basran, A, Bruce, N.C, Wilson, I.A. | | Deposit date: | 2002-06-10 | | Release date: | 2003-01-28 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | OBSERVATION OF AN ARSENIC ADDUCT IN AN ACETYL ESTERASE CRYSTAL STRUCTURE
J.Biol.Chem., 278, 2003
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1MNU
 | | UNLIGANDED BACTERICIDAL ANTIBODY AGAINST NEISSERIA MENINGITIDIS | | Descriptor: | CADMIUM ION, PROTEIN (IGG2A-KAPPA ANTIBODY MN12H2 (HEAVY CHAIN)), PROTEIN (IGG2A-KAPPA ANTIBODY MN12H2 (LIGHT CHAIN)) | | Authors: | Van Den Elsen, J, Vandeputte-Rutten, L, Kroon, J, Gros, P. | | Deposit date: | 1999-04-30 | | Release date: | 1999-05-06 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Bactericidal antibody recognition of meningococcal PorA by induced fit. Comparison of liganded and unliganded Fab structures.
J.Biol.Chem., 274, 1999
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1MNL
 | | HIGH-RESOLUTION SOLUTION STRUCTURE OF A SWEET PROTEIN SINGLE-CHAIN MONELLIN (SCM) DETERMINED BY NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY AND DYNAMICAL SIMULATED ANNEALING CALCULATIONS, 21 STRUCTURES | | Descriptor: | MONELLIN | | Authors: | Lee, S.-Y, Lee, J.-H, Chang, H.-J, Jo, J.-M, Jung, J.-W, Lee, W. | | Deposit date: | 1998-08-06 | | Release date: | 1999-06-08 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structure of a sweet protein single-chain monellin determined by nuclear magnetic resonance and dynamical simulated annealing calculations.
Biochemistry, 38, 1999
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3RG1
 | | Crystal structure of the RP105/MD-1 complex | | Descriptor: | (1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, CD180 molecule, LY86 protein, ... | | Authors: | Yoon, S.I, Hong, M, Wilson, I.A. | | Deposit date: | 2011-04-07 | | Release date: | 2011-08-31 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.91 Å) | | Cite: | An unusual dimeric structure and assembly for TLR4 regulator RP105-MD-1.
Nat.Struct.Mol.Biol., 18, 2011
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1MWE
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3W09
 | | Influenza virus neuraminidase subtype N9 (TERN) complexed with 2,3-dif guanidino-neu5ac2en inhibitor | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5-acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-3-fluoro-D-glycero-D-galacto-non-2-enonic acid, ... | | Authors: | Streltsov, V.A. | | Deposit date: | 2012-10-25 | | Release date: | 2013-05-01 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Mechanism-based covalent neuraminidase inhibitors with broad-spectrum influenza antiviral activity
Science, 340, 2013
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1P2G
 | | Crystal Structure of Glycogen Phosphorylase B in complex with Gamma Cyclodextrin | | Descriptor: | Cyclooctakis-(1-4)-(alpha-D-glucopyranose), Glycogen phosphorylase, muscle form, ... | | Authors: | Pinotsis, N, Leonidas, D.D, Chrysina, E.D, Oikonomakos, N.G, Mavridis, I.M. | | Deposit date: | 2003-04-15 | | Release date: | 2003-09-02 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The binding of beta- and gamma-cyclodextrins to glycogen phosphorylase b: Kinetic and crystallographic studies.
Protein Sci., 12, 2003
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1NTS
 | | 5'(dCCPUPCPCPUPUP)3':3'(rAGGAGGAAA)5', where P=propynyl | | Descriptor: | 5'-D(*(5PC)P*(5PC)P*(PDU)P*(5PC)P*(5PC)P*(PDU)P*(PDU))-3', 5'-R(*AP*AP*AP*GP*GP*AP*GP*GP*A)-3' | | Authors: | Znosko, B.M, Barnes III, T.W, Krugh, T.R, Turner, D.H. | | Deposit date: | 2003-01-30 | | Release date: | 2003-06-10 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | NMR Studies of DNA Single Strands and DNA:RNA Hybrids With and Without 1-Propynylation at C5 of Oligopyrimidines
J.Am.Chem.Soc., 125, 2003
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3VUN
 | | Crystal structure of a influenza A virus (A/Aichi/2/1968 H3N2) hemagglutinin in C2 space group. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, ... | | Authors: | Yasutake, Y, Suzuki, T, Kawaguchi, A, Nobusawa, E. | | Deposit date: | 2012-07-02 | | Release date: | 2012-08-01 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystal structure of a influenza A virus (A/Aichi/2/1968 H3N2) hemagglutinin in C2 space group
To be Published
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1ORK
 | | TET REPRESSOR, CLASS D IN COMPLEX WITH 9-(N,N-DIMETHYLGLYCYLAMIDO)-6-DEMETHYL-6-DEOXY-TETRACYCLINE | | Descriptor: | 9-(N,N-DIMETHYLGLYCYLAMIDO)-6-DEOXY-6-DEMETHYL-TETRACYCLINE, MAGNESIUM ION, TETRACYCLINE REPRESSOR | | Authors: | Orth, P, Schnappinger, D, Sum, P.-E, Ellestad, G.A, Hillen, W, Saenger, W, Hinrichs, W. | | Deposit date: | 1998-05-21 | | Release date: | 1999-06-15 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure of the tet repressor in complex with a novel tetracycline, 9-(N,N-dimethylglycylamido)- 6-demethyl-6-deoxy-tetracycline.
J.Mol.Biol., 285, 1999
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3ZUD
 | | THERMOASCUS GH61 ISOZYME A | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Otten, H, Quinlan, R.J, Sweeney, M.D, Poulsen, J.-C.N, Johansen, K.S, Krogh, K.B.R.M, Joergensen, C.I, Tovborg, M, Anthonsen, A, Tryfona, T, Walter, C.P, Dupree, P, Xu, F, Davies, G.J, Walton, P.H, Lo Leggio, L. | | Deposit date: | 2011-07-18 | | Release date: | 2011-09-07 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Insights Into the Oxidative Degradation of Cellulose by a Copper Metalloenzyme that Exploits Biomass Components.
Proc.Natl.Acad.Sci.USA, 108, 2011
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