1HVQ
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![BU of 1hvq by Molmil](/molmil-images/mine/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
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5R9J
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![BU of 5r9j by Molmil](/molmil-images/mine/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
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4NSJ
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![BU of 4nsj by Molmil](/molmil-images/mine/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
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1HW6
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4Z46
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7E0S
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![BU of 7e0s by Molmil](/molmil-images/mine/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
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1HPM
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5RA4
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1HXA
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![BU of 1hxa by Molmil](/molmil-images/mine/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
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1HXJ
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5KOW
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![BU of 5kow by Molmil](/molmil-images/mine/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
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4NUY
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![BU of 4nuy by Molmil](/molmil-images/mine/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
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7E0U
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![BU of 7e0u by Molmil](/molmil-images/mine/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
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1HRD
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![BU of 1hrd by Molmil](/molmil-images/mine/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
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5KIR
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![BU of 5kir by Molmil](/molmil-images/mine/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
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4NMC
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4NWE
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![BU of 4nwe by Molmil](/molmil-images/mine/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
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1VAH
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![BU of 1vah by Molmil](/molmil-images/mine/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
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1VAU
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![BU of 1vau by Molmil](/molmil-images/mine/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
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5KKC
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![BU of 5kkc by Molmil](/molmil-images/mine/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
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1HX9
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![BU of 1hx9 by Molmil](/molmil-images/mine/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
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5R85
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5R8G
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1HXG
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5R8X
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