4M10
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![BU of 4m10 by Molmil](/molmil-images/mine/4m10) | Crystal Structure of Murine Cyclooxygenase-2 Complex with Isoxicam | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-hydroxy-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide, ... | Authors: | Xu, S, Hermanson, D.J, Banerjee, S, Ghebreelasie, K, Marnett, L.J. | Deposit date: | 2013-08-02 | Release date: | 2014-01-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Oxicams Bind in a Novel Mode to the Cyclooxygenase Active Site via a Two-water-mediated H-bonding Network. J.Biol.Chem., 289, 2014
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1EKZ
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![BU of 1ekz by Molmil](/molmil-images/mine/1ekz) | NMR STRUCTURE OF THE COMPLEX BETWEEN THE THIRD DSRBD FROM DROSOPHILA STAUFEN AND A RNA HAIRPIN | Descriptor: | MATERNAL EFFECT PROTEIN (STAUFEN), STAUFEN DOUBLE-STRANDED RNA BINDING DOMAIN | Authors: | Ramos, A, Grunert, S, Bycroft, M, St Johnston, D, Varani, G. | Deposit date: | 2000-03-11 | Release date: | 2000-08-21 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | RNA recognition by a Staufen double-stranded RNA-binding domain. EMBO J., 19, 2000
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8A00
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![BU of 8a00 by Molmil](/molmil-images/mine/8a00) | Infectious mouse-adapted ME7 scrapie prion fibril purified from terminally-infected mouse brains | Descriptor: | Major prion protein | Authors: | Manka, S.W, Wenborn, A, Betts, J, Joiner, S, Saibil, H.R, Collinge, J, Wadsworth, J.D.F. | Deposit date: | 2022-05-26 | Release date: | 2023-01-18 | Last modified: | 2023-05-10 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | A structural basis for prion strain diversity. Nat.Chem.Biol., 19, 2023
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4PZF
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![BU of 4pzf by Molmil](/molmil-images/mine/4pzf) | Berberine bridge enzyme G164A variant, a reticuline dehydrogenase | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DODECAETHYLENE GLYCOL, ... | Authors: | Zafred, D, Wallner, S, Steiner, B, Macheroux, P. | Deposit date: | 2014-03-30 | Release date: | 2014-04-23 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Rationally engineered flavin-dependent oxidase reveals steric control of dioxygen reduction. Febs J., 282, 2015
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5W58
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![BU of 5w58 by Molmil](/molmil-images/mine/5w58) | Crystal Complex of Cyclooxygenase-2: (S)-ARN-2508 (a dual COX and FAAH inhibitor) | Descriptor: | (2S)-2-{2-fluoro-3'-[(hexylcarbamoyl)oxy][1,1'-biphenyl]-4-yl}propanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 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, ... | Authors: | Xu, S, Goodman, M.C, Banerjee, S, Piomelli, D, Marnett, L.J. | Deposit date: | 2017-06-14 | Release date: | 2018-01-31 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.267 Å) | Cite: | Dual cyclooxygenase-fatty acid amide hydrolase inhibitor exploits novel binding interactions in the cyclooxygenase active site. J. Biol. Chem., 293, 2018
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6WLG
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![BU of 6wlg by Molmil](/molmil-images/mine/6wlg) | Ints3 C-terminal Domain | Descriptor: | Integrator complex subunit 3 | Authors: | Li, J, Ma, X.L, Banerjee, S, Dong, Z.G. | Deposit date: | 2020-04-20 | Release date: | 2020-12-02 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (3.111 Å) | Cite: | Structural basis for multifunctional roles of human Ints3 C-terminal domain. J.Biol.Chem., 296, 2020
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8B0H
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![BU of 8b0h by Molmil](/molmil-images/mine/8b0h) | 2C9, C5b9-CD59 cryoEM structure | Descriptor: | CD59 glycoprotein, Complement C5, Complement component C6, ... | Authors: | Couves, E.C, Gardner, S, Bubeck, D. | Deposit date: | 2022-09-07 | Release date: | 2023-02-22 | Last modified: | 2023-03-01 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structural basis for membrane attack complex inhibition by CD59. Nat Commun, 14, 2023
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8R47
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![BU of 8r47 by Molmil](/molmil-images/mine/8r47) | AL amyloid fibril from the FOR010 light chain | Descriptor: | lambda 3 immunoglobulin light chain fragment, residues 4-116 | Authors: | Pfeiffer, P.B, Banerjee, S, Schmidt, M, Faendrich, M. | Deposit date: | 2023-11-13 | Release date: | 2024-06-26 | Method: | ELECTRON MICROSCOPY (2.25 Å) | Cite: | Light chain mutations contribute to defining the fibril morphology in systemic AL amyloidosis. Nat Commun, 15, 2024
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6GBK
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![BU of 6gbk by Molmil](/molmil-images/mine/6gbk) | Repertoires of functionally diverse enzymes through computational design at epistatic active-site positions | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, Parathion hydrolase, ... | Authors: | Khersonsky, O, Lipsh, R, Avizemer, Z, Goldsmith, M, Ashani, Y, Leader, H, Dym, O, Rogotner, S, Trudeau, D, Tawfik, D.S, Fleishman, S.J. | Deposit date: | 2018-04-15 | Release date: | 2018-10-24 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Automated Design of Efficient and Functionally Diverse Enzyme Repertoires. Mol. Cell, 72, 2018
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6GBJ
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![BU of 6gbj by Molmil](/molmil-images/mine/6gbj) | Repertoires of functionally diverse enzymes through computational design at epistatic active-site positions | Descriptor: | 1,2-ETHANEDIOL, FORMIC ACID, Parathion hydrolase, ... | Authors: | Khersonsky, O, Lipsh, R, Avizemer, Z, Goldsmith, M, Ashani, Y, Leader, H, Dym, O, Rogotner, S, Trudeau, D, Tawfik, D.S, Fleishman, S.J. | Deposit date: | 2018-04-15 | Release date: | 2018-10-24 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Automated Design of Efficient and Functionally Diverse Enzyme Repertoires. Mol. Cell, 72, 2018
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6YUR
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![BU of 6yur by Molmil](/molmil-images/mine/6yur) | Crystal structure of S. aureus FabI inhibited by SKTS1 | Descriptor: | 6-[4-(4-hexyl-2-oxidanyl-phenoxy)phenoxy]pyridin-2-ol, Enoyl-[acyl-carrier-protein] reductase [NADPH], NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Weinrich, J.D, Eltschkner, S, Schiebel, J, Kehrein, J, Le, T.A, Davoodi, S, Merget, B, Tonge, P.J, Engels, B, Sotriffer, C.A, Kisker, C. | Deposit date: | 2020-04-27 | Release date: | 2021-03-24 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | A Long Residence Time Enoyl-Reductase Inhibitor Explores an Extended Binding Region with Isoenzyme-Dependent Tautomer Adaptation and Differential Substrate-Binding Loop Closure. Acs Infect Dis., 7, 2021
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6UAN
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![BU of 6uan by Molmil](/molmil-images/mine/6uan) | B-Raf:14-3-3 complex | Descriptor: | 14-3-3 zeta, Serine/threonine-protein kinase B-raf | Authors: | Kondo, Y, Ognjenovic, J, Banerjee, S, Karandur, D, Merk, A, Kulhanek, K, Wong, K, Roose, J.P, Subramaniam, S, Kuriyan, J. | Deposit date: | 2019-09-11 | Release date: | 2019-09-25 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Cryo-EM structure of a dimeric B-Raf:14-3-3 complex reveals asymmetry in the active sites of B-Raf kinases. Science, 366, 2019
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6E5W
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![BU of 6e5w by Molmil](/molmil-images/mine/6e5w) | Crystal structure of human cellular retinol binding protein 3 in complex with abnormal-cannabidiol (abn-CBD) | Descriptor: | (1'R,2'R)-5'-methyl-6-pentyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydro[1,1'-biphenyl]-2,4-diol, GLYCEROL, Retinol-binding protein 5 | Authors: | Silvaroli, J.A, Banerjee, S, Kiser, P.D, Golczak, M. | Deposit date: | 2018-07-23 | Release date: | 2019-02-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Abnormal Cannabidiol Modulates Vitamin A Metabolism by Acting as a Competitive Inhibitor of CRBP1. Acs Chem.Biol., 14, 2019
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6E6K
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![BU of 6e6k by Molmil](/molmil-images/mine/6e6k) | Crystal structure of human cellular retinol-binding protein 4 in complex with abnormal-cannabidiol (abn-CBD) | Descriptor: | (1'R,2'R)-5'-methyl-6-pentyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydro[1,1'-biphenyl]-2,4-diol, Retinoid-binding protein 7 | Authors: | Silvaroli, J.A, Banerjee, S, Kiser, P.D, Golczak, M. | Deposit date: | 2018-07-25 | Release date: | 2019-02-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Abnormal Cannabidiol Modulates Vitamin A Metabolism by Acting as a Competitive Inhibitor of CRBP1. Acs Chem.Biol., 14, 2019
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6H03
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![BU of 6h03 by Molmil](/molmil-images/mine/6h03) | OPEN CONFORMATION OF THE MEMBRANE ATTACK COMPLEX | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Complement C5,Complement C5, ... | Authors: | Menny, A, Serna, M, Boyd, C.M, Gardner, S, Joseph, A.P, Topf, M, Bubeck, D. | Deposit date: | 2018-07-06 | Release date: | 2018-12-19 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (5.6 Å) | Cite: | CryoEM reveals how the complement membrane attack complex ruptures lipid bilayers. Nat Commun, 9, 2018
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6H04
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![BU of 6h04 by Molmil](/molmil-images/mine/6h04) | Closed conformation of the Membrane Attack Complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Complement C5,Complement C5, ... | Authors: | Menny, A, Serna, M, Boyd, C.M, Gardner, S, Joseph, A.P, Topf, M, Bubeck, D. | Deposit date: | 2018-07-06 | Release date: | 2018-12-19 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (5.6 Å) | Cite: | CryoEM reveals how the complement membrane attack complex ruptures lipid bilayers. Nat Commun, 9, 2018
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1ECV
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![BU of 1ecv by Molmil](/molmil-images/mine/1ecv) | CRYSTAL STRUCTURE OF PROTEIN TYROSINE PHOSPHATASE 1B COMPLEXED WITH 5-IODO-2-(OXALYL-AMINO)-BENZOIC ACID | Descriptor: | 5-IODO-2-(OXALYL-AMINO)-BENZOIC ACID, ACETATE ION, PROTEIN-TYROSINE PHOSPHATASE 1B | Authors: | Andersen, H.S, Iversen, L.F, Branner, S, Rasmussen, H.B, Moller, N.P.H. | Deposit date: | 2000-01-26 | Release date: | 2000-03-15 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | 2-(oxalylamino)-benzoic acid is a general, competitive inhibitor of protein-tyrosine phosphatases. J.Biol.Chem., 275, 2000
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6E5L
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![BU of 6e5l by Molmil](/molmil-images/mine/6e5l) | Crystal structure of human cellular retinol binding protein 1 in complex with abnormal-cannabidiol (abn-CBD) | Descriptor: | (1'R,2'R)-5'-methyl-6-pentyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydro[1,1'-biphenyl]-2,4-diol, Retinol-binding protein 1 | Authors: | Silvaroli, J.A, Banerjee, S, Kiser, P.D, Golczak, M. | Deposit date: | 2018-07-20 | Release date: | 2019-02-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.17 Å) | Cite: | Abnormal Cannabidiol Modulates Vitamin A Metabolism by Acting as a Competitive Inhibitor of CRBP1. Acs Chem.Biol., 14, 2019
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7BGG
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![BU of 7bgg by Molmil](/molmil-images/mine/7bgg) | Crystal structure of the heterocyclic toxin methyltransferase from Mycobacterium tuberculosis | Descriptor: | S-ADENOSYL-L-HOMOCYSTEINE, SODIUM ION, heterocyclic toxin methyltransferase (Rv0560c) | Authors: | Denkhaus, L, Sartor, P, Einsle, O, Gerhardt, S, Fetzner, S. | Deposit date: | 2021-01-07 | Release date: | 2021-09-22 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.04 Å) | Cite: | Structural basis of O-methylation of (2-heptyl-)1-hydroxyquinolin-4(1H)-one and related compounds by the heterocyclic toxin methyltransferase Rv0560c of Mycobacterium tuberculosis. J.Struct.Biol., 213, 2021
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6E6M
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![BU of 6e6m by Molmil](/molmil-images/mine/6e6m) | Crystal structure of human cellular retinol-binding protein 1 in complex with cannabidiorcin (CBDO) | Descriptor: | (1'R,2'R)-4,5'-dimethyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydro[1,1'-biphenyl]-2,6-diol, Retinol-binding protein 1 | Authors: | Silvaroli, J.A, Horwitz, S, Banerjee, S, Kiser, P.D, Golczak, M. | Deposit date: | 2018-07-25 | Release date: | 2019-02-13 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Abnormal Cannabidiol Modulates Vitamin A Metabolism by Acting as a Competitive Inhibitor of CRBP1. Acs Chem.Biol., 14, 2019
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6E5T
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![BU of 6e5t by Molmil](/molmil-images/mine/6e5t) | Crystal structure of human cellular retinol binding protein 1 in complex with abnormal-cannabidiorcin (Abn-CBDO) | Descriptor: | (1'R,2'R)-5',6-dimethyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydro[1,1'-biphenyl]-2,4-diol, Retinol-binding protein 1 | Authors: | Silvaroli, J.A, Horwitz, S, Banerjee, S, Kiser, P.D, Golczak, M. | Deposit date: | 2018-07-23 | Release date: | 2019-02-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Abnormal Cannabidiol Modulates Vitamin A Metabolism by Acting as a Competitive Inhibitor of CRBP1. Acs Chem.Biol., 14, 2019
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6GBL
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![BU of 6gbl by Molmil](/molmil-images/mine/6gbl) | Repertoires of functionally diverse enzymes through computational design at epistatic active-site positions | Descriptor: | 1,2-ETHANEDIOL, CACODYLATE ION, FORMIC ACID, ... | Authors: | Khersonsky, O, Lipsh, R, Avizemer, Z, Goldsmith, M, Ashani, Y, Leader, H, Dym, O, Rogotner, S, Trudeau, D, Tawfik, D.S, Fleishman, S.J. | Deposit date: | 2018-04-15 | Release date: | 2018-10-24 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Automated Design of Efficient and Functionally Diverse Enzyme Repertoires. Mol. Cell, 72, 2018
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3O53
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![BU of 3o53 by Molmil](/molmil-images/mine/3o53) | Crystal Structure of LRIM1 leucine-rich repeat domain | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, COBALT (II) ION, ... | Authors: | Baxter, R.H.G, Steinert, S, Chelliah, Y, Volohonsky, G, Levashina, E.A, Deisenhofer, J. | Deposit date: | 2010-07-27 | Release date: | 2010-09-22 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A heterodimeric complex of the LRR proteins LRIM1 and APL1C regulates complement-like immunity in Anopheles gambiae. Proc.Natl.Acad.Sci.USA, 107, 2010
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3O6N
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![BU of 3o6n by Molmil](/molmil-images/mine/3o6n) | Crystal Structure of APL1 leucine-rich repeat domain | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, APL1 | Authors: | Baxter, R.H.G, Steinert, S, Chelliah, Y, Volohonsky, G, Levashina, E.A, Deisenhofer, J. | Deposit date: | 2010-07-29 | Release date: | 2010-09-22 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | A heterodimeric complex of the LRR proteins LRIM1 and APL1C regulates complement-like immunity in Anopheles gambiae. Proc.Natl.Acad.Sci.USA, 107, 2010
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3Q7D
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![BU of 3q7d by Molmil](/molmil-images/mine/3q7d) | Structure of (R)-naproxen bound to mCOX-2. | Descriptor: | (2R)-2-(6-methoxynaphthalen-2-yl)propanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | Authors: | Duggan, K.C, Hermanson, D.J, Musee, J, Prusakiewicz, J.J, Scheib, J, Carter, B.D, Banerjee, S, Marnett, L.J. | Deposit date: | 2011-01-04 | Release date: | 2011-11-09 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | (R)-Profens are substrate-selective inhibitors of endocannabinoid oxygenation by COX-2. Nat.Chem.Biol., 7, 2011
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