PDB: 35712 resultsInfo pagesStatus searchChemie searchBIRD

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1HVQ	CRYSTAL STRUCTURES OF HEVAMINE, A PLANT DEFENCE PROTEIN WITH CHITINASE AND LYSOZYME ACTIVITY, AND ITS COMPLEX WITH AN INHIBITOR Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, HEVAMINE A Authors: Terwisscha Van Scheltinga, A.C, Kalk, K.H, Beintema, J.J, Dijkstra, B.W. Deposit date: 1994-10-13 Release date: 1995-12-02 Last modified: 2020-07-29 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Crystal structures of hevamine, a plant defence protein with chitinase and lysozyme activity, and its complex with an inhibitor. Structure, 2, 1994
5R9J	PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N14231a in complex with MAP kinase p38-alpha Descriptor: 3-ethyl-1-[(1~{R},8~{S},9~{S},10~{S})-10-oxidanyl-11-oxatricyclo[6.2.1.0^{2,7}]undeca-2(7),3,5-trien-9-yl]imidazolidine-2,4-dione, CHLORIDE ION, DIMETHYL SULFOXIDE, ... Authors: De Nicola, G.F, Nichols, C.E. Deposit date: 2020-03-04 Release date: 2020-07-22 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.52 Å) Cite: Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes. J.Med.Chem., 63, 2020
4NSJ	Carboplatin binding to HEWL in 2M NH4formate, 0.1M HEPES at pH 7.5 Descriptor: DIMETHYL SULFOXIDE, FORMIC ACID, Lysozyme C, ... Authors: Tanley, S.W.M, Diederichs, K, Kroon-Batenburg, L.M.J, Levy, C, Schreurs, A.M.M, Helliwell, J.R. Deposit date: 2013-11-28 Release date: 2014-10-15 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Carboplatin binding to histidine. Acta Crystallogr F Struct Biol Commun, 70, 2014
1HW6	CRYSTAL STRUCTURE OF APO-2,5-DIKETO-D-GLUCONATE REDUCTASE Descriptor: 2,5-DIKETO-D-GLUCONIC ACID REDUCTASE, CHLORIDE ION, MAGNESIUM ION Authors: Sanli, G, Blaber, M. Deposit date: 2001-01-09 Release date: 2001-06-20 Last modified: 2023-08-09 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Structural assembly of the active site in an aldo-keto reductase by NADPH cofactor. J.Mol.Biol., 309, 2001
4Z46	X-ray structure of the bis-platinum lysozyme adduct formed in the reaction between the protein and the two drugs Cisplatin and Oxaliplatin Descriptor: 1,2-ETHANEDIOL, CYCLOHEXANE-1(R),2(R)-DIAMINE-PLATINUM(II), Cisplatin, ... Authors: Merlino, A. Deposit date: 2015-04-01 Release date: 2015-05-27 Last modified: 2015-06-10 Method: X-RAY DIFFRACTION (1.85 Å) Cite: Oxaliplatin vs. cisplatin: competition experiments on their binding to lysozyme. Dalton Trans, 44, 2015
7E0S	Crystal Structure of Human Indoleamine 2,3-dioxygenagse 1 (hIDO1) Complexed with (1R,2S)-2-(((6-Bromo-1H-indazol-4-yl)amino)methyl)cyclohexan-1-ol (23) Descriptor: (1~{R},2~{S})-2-[[(6-bromanyl-1~{H}-indazol-4-yl)amino]methyl]cyclohexan-1-ol, ACETIC ACID, Indoleamine 2,3-dioxygenase 1, ... Authors: Li, G.-B, Ning, X.-L. Deposit date: 2021-01-28 Release date: 2021-07-21 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (2.712 Å) Cite: X-ray Structure-Guided Discovery of a Potent, Orally Bioavailable, Dual Human Indoleamine/Tryptophan 2,3-Dioxygenase (hIDO/hTDO) Inhibitor That Shows Activity in a Mouse Model of Parkinson's Disease. J.Med.Chem., 64, 2021
1HPM	HOW POTASSIUM AFFECTS THE ACTIVITY OF THE MOLECULAR CHAPERONE HSC70. II. POTASSIUM BINDS SPECIFICALLY IN THE ATPASE ACTIVE SITE Descriptor: 44K ATPASE FRAGMENT (N-TERMINAL) OF 7O kD HEAT-SHOCK COGNATE PROTEIN, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ... Authors: Wilbanks, S.M, Mckay, D.B. Deposit date: 1995-03-24 Release date: 1995-07-31 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (1.7 Å) Cite: How potassium affects the activity of the molecular chaperone Hsc70. II. Potassium binds specifically in the ATPase active site. J.Biol.Chem., 270, 1995
5RA4	PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N11337a in complex with MAP kinase p38-alpha Descriptor: (~{E})-1-(4-chlorophenyl)-~{N}-(pyridin-3-ylmethyl)ethanimine, CHLORIDE ION, DIMETHYL SULFOXIDE, ... Authors: De Nicola, G.F, Nichols, C.E. Deposit date: 2020-03-04 Release date: 2020-07-22 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.59 Å) Cite: Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes. J.Med.Chem., 63, 2020
1HXA	CRYSTAL STRUCTURE OF TEAS W273S FORM 2 Descriptor: 1-HYDROXY-3,7,11-TRIMETHYLDODECA-2,6,10-TRIENE PHOSPHONIC ACID, 5-EPI-ARISTOLOCHENE SYNTHASE, MAGNESIUM ION Authors: Starks, C.S, Rising, K.A, Chappell, J, Noel, J.P. Deposit date: 2001-01-12 Release date: 2003-06-24 Last modified: 2023-08-09 Method: X-RAY DIFFRACTION (2.32 Å) Cite: Single Active Site Mutations Change the Specificity of a Sesquiterpene Cyclase To be Published
1HXJ	CRYSTAL STRUCTURE OF THE MAIZE ZM-P60.1 BETA-GLUCOSIDASE Descriptor: BETA-GLUCOSIDASE Authors: Vevodova, J, Su, X.-D, Marek, J, Brzobohaty, B. Deposit date: 2001-01-15 Release date: 2003-01-21 Last modified: 2023-08-09 Method: X-RAY DIFFRACTION (2.05 Å) Cite: Insights into the functional architecture of the catalytic center of a maize beta-glucosidase Zm-p60.1 Plant Physiol., 127, 2001
5KOW	Structure of rifampicin monooxygenase Descriptor: ACETATE ION, FLAVIN-ADENINE DINUCLEOTIDE, Pentachlorophenol 4-monooxygenase Authors: Tanner, J.J, Liu, L.-K. Deposit date: 2016-07-01 Release date: 2016-09-07 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (2.1 Å) Cite: The Structure of the Antibiotic Deactivating, N-hydroxylating Rifampicin Monooxygenase. J.Biol.Chem., 291, 2016
4NUY	Crystal structure of EndoS, an endo-beta-N-acetyl-glucosaminidase from Streptococcus pyogenes Descriptor: CALCIUM ION, Endo-beta-N-acetylglucosaminidase F2 Authors: Trastoy, B, Guenther, S, Snyder, G.A, Sundberg, E.J. Deposit date: 2013-12-04 Release date: 2014-04-09 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.609 Å) Cite: Crystal structure of Streptococcus pyogenes EndoS, an immunomodulatory endoglycosidase specific for human IgG antibodies. Proc.Natl.Acad.Sci.USA, 111, 2014
7E0U	Crystal Structure of Human Indoleamine 2,3-dioxygenagse 1 (hIDO1) Complexed with 6-Bromo-N-(((1S,2S)-2-chlorocyclohexyl)methyl)-1H-indazol-4-amine (39) Descriptor: 6-bromanyl-~{N}-[[(1~{S},2~{S})-2-chloranylcyclohexyl]methyl]-1~{H}-indazol-4-amine, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE Authors: Li, G.-B, Ning, X.-L. Deposit date: 2021-01-28 Release date: 2021-07-21 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (2.278 Å) Cite: X-ray Structure-Guided Discovery of a Potent, Orally Bioavailable, Dual Human Indoleamine/Tryptophan 2,3-Dioxygenase (hIDO/hTDO) Inhibitor That Shows Activity in a Mouse Model of Parkinson's Disease. J.Med.Chem., 64, 2021
1HRD	GLUTAMATE DEHYDROGENASE Descriptor: GLUTAMATE DEHYDROGENASE Authors: Britton, K.L, Baker, P.J, Stillman, T.J, Rice, D.W. Deposit date: 1996-04-03 Release date: 1997-03-12 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (1.96 Å) Cite: The structure of Pyrococcus furiosus glutamate dehydrogenase reveals a key role for ion-pair networks in maintaining enzyme stability at extreme temperatures. Structure, 3, 1995
5KIR	The Structure of Vioxx Bound to Human COX-2 Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, AMMONIUM ION, GLYCEROL, ... Authors: Orlando, B.J, Malkowski, M.G. Deposit date: 2016-06-16 Release date: 2016-09-28 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (2.697 Å) Cite: Crystal structure of rofecoxib bound to human cyclooxygenase-2. Acta Crystallogr.,Sect.F, 72, 2016
4NMC	Crystal structure of oxidized proline utilization A (PutA) from Geobacter sulfurreducens PCA complexed with Zwittergent 3-12 Descriptor: (2S)-2-HYDROXYPROPANOIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, N-DODECYL-N,N-DIMETHYL-3-AMMONIO-1-PROPANESULFONATE, ... Authors: Singh, H, Tanner, J.J. Deposit date: 2013-11-14 Release date: 2014-02-19 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.901 Å) Cite: Structures of the PutA peripheral membrane flavoenzyme reveal a dynamic substrate-channeling tunnel and the quinone-binding site. Proc.Natl.Acad.Sci.USA, 111, 2014
4NWE	Lysozyme UNDER 30 BAR PRESSURE OF NITROUS OXIDE Descriptor: CHLORIDE ION, Lysozyme C, NITROUS OXIDE Authors: Colloc'h, N, Prange, T. Deposit date: 2013-12-06 Release date: 2014-09-24 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.58 Å) Cite: Crystallographic Studies with Xenon and Nitrous Oxide Provide Evidence for Protein-dependent Processes in the Mechanisms of General Anesthesia Anesthesiology, 121, 2014
1VAH	Crystal structure of the pig pancreatic-amylase complexed with r-nitrophenyl-a-D-maltoside Descriptor: Alpha-amylase, pancreatic, CALCIUM ION, ... Authors: Zhuo, H, Payan, F, Qian, M. Deposit date: 2004-02-17 Release date: 2005-04-26 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Crystal structure of the pig pancreatic alpha-amylase complexed with rho-nitrophenyl-alpha-D-maltoside-flexibility in the active site Protein J., 23, 2004
1VAU	Xenon derivative of hen egg-white lysozyme Descriptor: CHLORIDE ION, Lysozyme C, SODIUM ION, ... Authors: Takeda, K, Miyatake, H, Park, S.Y, Kawamoto, M, Kamiya, N, Miki, K, RIKEN Structural Genomics/Proteomics Initiative (RSGI) Deposit date: 2004-02-19 Release date: 2005-03-08 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Multi-wavelength anomalous diffraction method for I and Xe atoms using ultra-high-energy X-rays from SPring-8 J.Appl.Crystallogr., 37, 2004
5KKC	l-lactate dehydrogenase from rabbit muscle with the inhibitor 6DHNAD Descriptor: L-lactate dehydrogenase A chain, SULFATE ION, [[(2~{R},3~{S},4~{R},5~{R})-5-(5-aminocarbonyl-2~{H}-pyridin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate Authors: Meneely, K.M, Moran, G.R, Lamb, A.L. Deposit date: 2016-06-21 Release date: 2016-11-02 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (1.859 Å) Cite: Ligand binding phenomena that pertain to the metabolic function of renalase. Arch.Biochem.Biophys., 612, 2016
1HX9	CRYSTAL STRUCTURE OF TEAS W273S FORM 1 Descriptor: 1-HYDROXY-3,7,11-TRIMETHYLDODECA-2,6,10-TRIENE PHOSPHONIC ACID, 5-EPI-ARISTOLOCHENE SYNTHASE, MAGNESIUM ION Authors: Starks, C.S, Rising, K.A, Chappell, J, Noel, J.P. Deposit date: 2001-01-12 Release date: 2003-06-24 Last modified: 2023-08-09 Method: X-RAY DIFFRACTION (3.5 Å) Cite: Single Active Site Mutations Change the Specificity of a Sesquiterpene Cyclase To be Published
5R85	PanDDA analysis group deposition INTERLEUKIN-1 BETA -- Fragment Z1262246195 in complex with INTERLEUKIN-1 BETA Descriptor: 3,3,3-tris(fluoranyl)-1-piperazin-1-yl-propan-1-one, Interleukin-1 beta, SULFATE ION Authors: De Nicola, G.F, Nichols, C.E. Deposit date: 2020-03-03 Release date: 2020-04-22 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.44 Å) Cite: Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes. J.Med.Chem., 63, 2020
5R8G	PanDDA analysis group deposition INTERLEUKIN-1 BETA -- Fragment Z1259086950 in complex with INTERLEUKIN-1 BETA Descriptor: Interleukin-1 beta, SULFATE ION, [(2~{R})-4-(phenylmethyl)morpholin-2-yl]methanol Authors: De Nicola, G.F, Nichols, C.E. Deposit date: 2020-03-03 Release date: 2020-04-22 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.43 Å) Cite: Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes. J.Med.Chem., 63, 2020
1HXG	CRYSTAL STRUCTURE OF TEAS W273S/C440W Descriptor: 5-EPI-ARISTOLOCHENE SYNTHASE, MAGNESIUM ION Authors: Starks, C.S, Rising, K.A, Chappell, J, Noel, J.P. Deposit date: 2001-01-12 Release date: 2003-06-24 Last modified: 2023-08-09 Method: X-RAY DIFFRACTION (2.9 Å) Cite: Single Active Site Mutations Change the Specificity of a Sesquiterpene Cyclase To be Published
5R8X	PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N11396a in complex with MAP kinase p38-alpha Descriptor: (2-phenoxyphenyl)methanamine, CHLORIDE ION, DIMETHYL SULFOXIDE, ... Authors: De Nicola, G.F, Nichols, C.E. Deposit date: 2020-03-04 Release date: 2020-07-22 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.73 Å) Cite: Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes. J.Med.Chem., 63, 2020

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