PDB: 92800 resultsInfo pagesStatus searchChemie searchBIRD

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1V2O	Trypsin inhibitor in complex with bovine trypsin variant X(SSYI)bT.B4 Descriptor: CALCIUM ION, METHYL N-[(4-METHYLPHENYL)SULFONYL]GLYCYL-3-[AMINO(IMINO)METHYL]-D-PHENYLALANINATE, SULFATE ION, ... Authors: Rauh, D, Klebe, G, Stubbs, M.T. Deposit date: 2003-10-17 Release date: 2004-06-01 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (1.62 Å) Cite: Understanding protein-ligand interactions: the price of protein flexibility J.Mol.Biol., 335, 2004
1JW5	Structure of Maltose Bound to Open-form Maltodextrin-binding Protein in P1 Crystal Descriptor: alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, maltodextrin-binding protein Authors: Duan, X, Quiocho, F.A. Deposit date: 2001-09-02 Release date: 2002-01-30 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (2 Å) Cite: Structural evidence for a dominant role of nonpolar interactions in the binding of a transport/chemosensory receptor to its highly polar ligands. Biochemistry, 41, 2002
1V2M	Benzamidine in complex with bovine trypsin variant X(triple.Glu)bT.A1 Descriptor: BENZAMIDINE, SULFATE ION, Trypsin Authors: Rauh, D, Klebe, G, Stubbs, M.T. Deposit date: 2003-10-17 Release date: 2004-06-01 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (1.65 Å) Cite: Understanding protein-ligand interactions: the price of protein flexibility J.Mol.Biol., 335, 2004
1V2U	Benzamidine in complex with bovine trypsin varinat X(SSAI)bT.D1 Descriptor: BENZAMIDINE, CALCIUM ION, SULFATE ION, ... Authors: Rauh, D, Klebe, G, Stubbs, M.T. Deposit date: 2003-10-17 Release date: 2004-06-01 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Understanding protein-ligand interactions: the price of protein flexibility J.Mol.Biol., 335, 2004
6I6G	Dehaloperoxidase B from Amphitrite ornata - complex with 5-bromoindole Descriptor: 5-bromanyl-1~{H}-indole, Dehaloperoxidase B, PROTOPORPHYRIN IX CONTAINING FE, ... Authors: Moreno-Chicano, T, Ebrahim, A.E, Worrall, J.A.R, Strange, R.W, Axford, D, Sherrell, D.A, Sugimoto, H, Tono, K, Owada, S, Duyvesteyn, H. Deposit date: 2018-11-15 Release date: 2019-11-20 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.85 Å) Cite: High-throughput structures of protein-ligand complexes at room temperature using serial femtosecond crystallography. Iucrj, 6, 2019
2OTY	1,2-dichlorobenzene in complex with T4 Lysozyme L99A Descriptor: 1,2-DICHLOROBENZENE, BETA-MERCAPTOETHANOL, Lysozyme, ... Authors: Graves, A.P, Shoichet, B.K. Deposit date: 2007-02-09 Release date: 2007-08-07 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (1.83 Å) Cite: Predicting absolute ligand binding free energies to a simple model site. J.Mol.Biol., 371, 2007
2OU0	1-methylpyrrole in complex with T4 Lysozyme L99A Descriptor: 1-METHYL-1H-PYRROLE, Lysozyme, PHOSPHATE ION Authors: Graves, A.P, Shoichet, B.K. Deposit date: 2007-02-09 Release date: 2007-08-07 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (1.94 Å) Cite: Predicting absolute ligand binding free energies to a simple model site. J.Mol.Biol., 371, 2007
1V2L	Benzamidine in complex with bovine trypsin variant X(triple.Glu)bT.D1 Descriptor: BENZAMIDINE, CALCIUM ION, SULFATE ION, ... Authors: Rauh, D, Klebe, G, Stubbs, M.T. Deposit date: 2003-10-17 Release date: 2004-06-01 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Understanding protein-ligand interactions: the price of protein flexibility J.Mol.Biol., 335, 2004
1V2P	Trypsin inhibitor in complex with bovine trypsin variant X(SSYI)bT.A4 Descriptor: CALCIUM ION, METHYL N-[(4-METHYLPHENYL)SULFONYL]GLYCYL-3-[AMINO(IMINO)METHYL]-D-PHENYLALANINATE, SULFATE ION, ... Authors: Rauh, D, Klebe, G, Stubbs, M.T. Deposit date: 2003-10-17 Release date: 2004-06-01 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (1.92 Å) Cite: Understanding protein-ligand interactions: the price of protein flexibility J.Mol.Biol., 335, 2004
1V2W	Trypsin inhibitor in complex with bovine trypsin variant X(SSAI)bT.B4 Descriptor: CALCIUM ION, METHYL N-[(4-METHYLPHENYL)SULFONYL]GLYCYL-3-[AMINO(IMINO)METHYL]-D-PHENYLALANINATE, SULFATE ION, ... Authors: Rauh, D, Klebe, G, Stubbs, M.T. Deposit date: 2003-10-17 Release date: 2004-06-01 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (1.75 Å) Cite: Understanding protein-ligand interactions: the price of protein flexibility J.Mol.Biol., 335, 2004
1V2R	Trypsin inhibitor in complex with bovine trypsin variant X(SSRI)bT.B4 Descriptor: CALCIUM ION, METHYL N-[(4-METHYLPHENYL)SULFONYL]GLYCYL-3-[AMINO(IMINO)METHYL]-D-PHENYLALANINATE, SULFATE ION, ... Authors: Rauh, D, Klebe, G, Stubbs, M.T. Deposit date: 2003-10-17 Release date: 2004-06-01 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Understanding protein-ligand interactions: the price of protein flexibility J.Mol.Biol., 335, 2004
3Q00	Bovine trypsin variant X(tripleGlu217Ile227) in complex with small molecule inhibitor Descriptor: 2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80-HEPTACOSAOXADOOCTACONTAN-82-OL, CALCIUM ION, Cationic trypsin, ... Authors: Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T. Deposit date: 2010-12-15 Release date: 2011-12-21 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues. Biol.Chem., 395, 2014
4C4Z	Crystal structure of human bifunctional epoxide hydroxylase 2 complexed with A8 Descriptor: 1-ethyl-3-naphthalen-1-ylurea, BIFUNCTIONAL EPOXIDE HYDROLASE 2 Authors: Pilger, J, Mazur, A, Monecke, P, Schreuder, H, Elshorst, B, Langer, T, Schiffer, A, Krimm, I, Wegstroth, M, Lee, D, Hessler, G, Wendt, K.-U, Becker, S, Griesinger, C. Deposit date: 2013-09-09 Release date: 2014-10-01 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (2.06 Å) Cite: A Combination of Spin Diffusion Methods for the Determination of Protein-Ligand Complex Structural Ensembles. Angew.Chem.Int.Ed.Engl., 54, 2015
2G2P	Crystal Structure of E.coli transthyretin-related protein with bound Zn and Br Descriptor: BROMIDE ION, SULFATE ION, Transthyretin-like protein, ... Authors: Lundberg, E, Backstrom, S, Sauer, U.H, Sauer-Eriksson, A.E. Deposit date: 2006-02-16 Release date: 2006-12-12 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (2.1 Å) Cite: The transthyretin-related protein: structural investigation of a novel protein family J.Struct.Biol., 155, 2006
6R3C	Solution structure of birch pollen allergen Bet v 1a Descriptor: Major pollen allergen Bet v 1-A Authors: Schweimer, K. Deposit date: 2019-03-20 Release date: 2019-07-03 Last modified: 2024-05-15 Method: SOLUTION NMR Cite: Identification of a natural ligand of the hazel allergen Cor a 1. Sci Rep, 9, 2019
5VZQ	Sperm whale myoglobin V68A/I107Y with nitric oxide Descriptor: Myoglobin, NITRIC OXIDE, NITRITE ION, ... Authors: Wang, B, Thomas, L.M, Richter-Addo, G.B. Deposit date: 2017-05-29 Release date: 2018-06-06 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (1.79 Å) Cite: Nitrosyl Myoglobins and Their Nitrite Precursors: Crystal Structural and Quantum Mechanics and Molecular Mechanics Theoretical Investigations of Preferred Fe -NO Ligand Orientations in Myoglobin Distal Pockets. Biochemistry, 57, 2018
2XMI	Catalytic domain of mouse 2',3'-cyclic nucleotide 3'- phosphodiesterase, complexed with citrate Descriptor: 2', 3'-CYCLIC-NUCLEOTIDE 3'-PHOSPHODIESTERASE, CITRATE ANION, ... Authors: Myllykoski, M, Kursula, P. Deposit date: 2010-07-28 Release date: 2011-08-10 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (1.74 Å) Cite: Myelin 2',3'-Cyclic Nucleotide 3'-Phosphodiesterase: Active-Site Ligand Binding and Molecular Conformation. Plos One, 7, 2012
7R1Q	X-ray structure of the adduct formed upon reaction of the gold(I) N-heterocyclic carbene complex Au2 with lysozyme Descriptor: DIMETHYL SULFOXIDE, GOLD ION, Lysozyme Authors: Merlino, A, Ferraro, G. Deposit date: 2022-02-03 Release date: 2022-07-13 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.1 Å) Cite: Halo complexes of gold(I) containing glycoconjugate carbene ligands: synthesis, characterization, cytotoxicity and interaction with proteins and DNA model systems. Dalton Trans, 51, 2022
7R1P	X-ray structure of the adduct formed upon reaction of the gold(I) N-heterocyclic carbene complex Au1 with RNase A Descriptor: GOLD ION, Ribonuclease pancreatic, SULFATE ION Authors: Merlino, A, Ferraro, G. Deposit date: 2022-02-03 Release date: 2022-07-13 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.42 Å) Cite: Halo complexes of gold(I) containing glycoconjugate carbene ligands: synthesis, characterization, cytotoxicity and interaction with proteins and DNA model systems. Dalton Trans, 51, 2022
5VZO	Sperm whale myoglobin H64A with nitric oxide Descriptor: GLYCEROL, Myoglobin, NITRIC OXIDE, ... Authors: Wang, B, Thomas, L.M, Richter-Addo, G.B. Deposit date: 2017-05-29 Release date: 2018-06-06 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (1.78 Å) Cite: Nitrosyl Myoglobins and Their Nitrite Precursors: Crystal Structural and Quantum Mechanics and Molecular Mechanics Theoretical Investigations of Preferred Fe -NO Ligand Orientations in Myoglobin Distal Pockets. Biochemistry, 57, 2018
1OVL	Crystal Structure of Nurr1 LBD Descriptor: BROMIDE ION, IODIDE ION, Orphan nuclear receptor NURR1 (MSE 414, ... Authors: Wang, Z, Liu, J, Walker, N. Deposit date: 2003-03-26 Release date: 2003-06-03 Last modified: 2011-07-13 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Structure and Function of Nurr1 identifies a Class of Ligand-Independent Nuclear Receptors Nature, 423, 2003
2Y3X	Catalytic domain of mouse 2',3'-cyclic nucleotide 3'- phosphodiesterase, complexed with sulfate Descriptor: 2', 3'-CYCLIC-NUCLEOTIDE 3'-PHOSPHODIESTERASE, GLYCEROL, ... Authors: Myllykoski, M, Kursula, P. Deposit date: 2011-01-04 Release date: 2012-01-25 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Myelin 2',3'-Cyclic Nucleotide 3'-Phosphodiesterase: Active-Site Ligand Binding and Molecular Conformation. Plos One, 7, 2012
1EYM	FK506 BINDING PROTEIN MUTANT, HOMODIMERIC COMPLEX Descriptor: FK506 BINDING PROTEIN Authors: Rollins, C.T, Rivera, V.M, Woolfson, D.N, Keenan, T, Hatada, M, Adams, S.E, Andrade, L.J, Yaeger, D, van Schravendijk, M.R, Holt, D.A, Gilman, M, Clackson, T. Deposit date: 2000-05-07 Release date: 2000-08-09 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (2 Å) Cite: A ligand-reversible dimerization system for controlling protein-protein interactions. Proc.Natl.Acad.Sci.USA, 97, 2000
5VZP	Sperm whale myoglobin H64Q with nitric oxide Descriptor: GLYCEROL, Myoglobin, NITRIC OXIDE, ... Authors: Wang, B, Thomas, L.M, Richter-Addo, G.B. Deposit date: 2017-05-29 Release date: 2018-06-06 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (1.78 Å) Cite: Nitrosyl Myoglobins and Their Nitrite Precursors: Crystal Structural and Quantum Mechanics and Molecular Mechanics Theoretical Investigations of Preferred Fe -NO Ligand Orientations in Myoglobin Distal Pockets. Biochemistry, 57, 2018
2Y1P	Catalytic domain of mouse 2',3'-cyclic nucleotide 3'- phosphodiesterase, complexed with citrate Descriptor: 2', 3'-CYCLIC NUCLEOTIDE 3'-PHOSPHODIESTERASE, CITRIC ACID, ... Authors: Myllykoski, M, Kursula, P. Deposit date: 2010-12-09 Release date: 2011-12-21 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (1.82 Å) Cite: Myelin 2',3'-Cyclic Nucleotide 3'-Phosphodiesterase: Active-Site Ligand Binding and Molecular Conformation. Plos One, 7, 2012

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