1BFT
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6ZO9
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![BU of 6zo9 by Molmil](/molmil-images/mine/6zo9) | Binding of two rifabutins to the access pocket of AcrB-G621P T protomer | Descriptor: | (2S)-3-hydroxypropane-1,2-diyl didecanoate, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Tam, H.K, Foong, W.E, Pos, K.M. | Deposit date: | 2020-07-07 | Release date: | 2021-05-19 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Allosteric drug transport mechanism of multidrug transporter AcrB. Nat Commun, 12, 2021
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5F15
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![BU of 5f15 by Molmil](/molmil-images/mine/5f15) | Crystal Structure of ArnT from Cupriavidus metallidurans bound to Undecaprenyl phosphate | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-amino-4-deoxy-L-arabinose (L-Ara4N) transferase, CHLORIDE ION, ... | Authors: | Petrou, V.I, Clarke, O.B, Tomasek, D, Banerjee, S, Rajashankar, K.R, Mancia, F, New York Consortium on Membrane Protein Structure (NYCOMPS) | Deposit date: | 2015-11-30 | Release date: | 2016-02-17 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structures of aminoarabinose transferase ArnT suggest a molecular basis for lipid A glycosylation. Science, 351, 2016
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5M86
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![BU of 5m86 by Molmil](/molmil-images/mine/5m86) | Crystal Structure of the Thermoplasma acidophilum Protein Ta1207 | Descriptor: | CALCIUM ION, CHLORIDE ION, GLYCEROL, ... | Authors: | Pathare, G.R, Nagy, I, Bracher, A. | Deposit date: | 2016-10-28 | Release date: | 2017-06-14 | Last modified: | 2017-06-21 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of the Thermoplasma acidophilum protein Ta1207. Acta Crystallogr F Struct Biol Commun, 73, 2017
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1BHT
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![BU of 1bht by Molmil](/molmil-images/mine/1bht) | NK1 FRAGMENT OF HUMAN HEPATOCYTE GROWTH FACTOR | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, HEPATOCYTE GROWTH FACTOR, SULFATE ION | Authors: | Ultsch, M.H, Lokker, N.A, Godowski, P.J, De Vos, A.M. | Deposit date: | 1998-06-10 | Release date: | 1998-11-04 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of the NK1 fragment of human hepatocyte growth factor at 2.0 A resolution. Structure, 6, 1998
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6ZO6
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![BU of 6zo6 by Molmil](/molmil-images/mine/6zo6) | Minocycline binding to the deep binding pocket of AcrB-G619P | Descriptor: | (2S)-3-hydroxypropane-1,2-diyl didecanoate, (2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate, (4S,4AS,5AR,12AS)-4,7-BIS(DIMETHYLAMINO)-3,10,12,12A-TETRAHYDROXY-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2- CARBOXAMIDE, ... | Authors: | Tam, H.K, Foong, W.E, Pos, K.M. | Deposit date: | 2020-07-07 | Release date: | 2021-05-19 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Allosteric drug transport mechanism of multidrug transporter AcrB. Nat Commun, 12, 2021
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1B8O
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![BU of 1b8o by Molmil](/molmil-images/mine/1b8o) | PURINE NUCLEOSIDE PHOSPHORYLASE | Descriptor: | 1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-9-YL)-D-RIBITOL, MAGNESIUM ION, PHOSPHATE ION, ... | Authors: | Fedorov, A.A, Kicska, G.A, Fedorov, E.V, Shi, W, Tyler, P.C, Furneaux, R.H, Schramm, V.L, Almo, S.C. | Deposit date: | 1999-02-02 | Release date: | 1999-02-08 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Transition state structure of purine nucleoside phosphorylase and principles of atomic motion in enzymatic catalysis. Biochemistry, 40, 2001
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1BIT
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6ZOG
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![BU of 6zog by Molmil](/molmil-images/mine/6zog) | Minocycline binding to the deep binding pocket of AcrB-I38F_I671T | Descriptor: | (2S)-3-hydroxypropane-1,2-diyl didecanoate, (4S,4AS,5AR,12AS)-4,7-BIS(DIMETHYLAMINO)-3,10,12,12A-TETRAHYDROXY-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2- CARBOXAMIDE, 1,2-ETHANEDIOL, ... | Authors: | Tam, H.K, Foong, W.E, Pos, K.M. | Deposit date: | 2020-07-07 | Release date: | 2021-05-19 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Allosteric drug transport mechanism of multidrug transporter AcrB. Nat Commun, 12, 2021
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6ZOH
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![BU of 6zoh by Molmil](/molmil-images/mine/6zoh) | 3-Formylrifamycin SV binding to the access pocket of AcrB-G619P_G621P L and T protomers | Descriptor: | (2S)-3-hydroxypropane-1,2-diyl didecanoate, (2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate, (2S,12Z,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)-8-formyl-5,6,9,17,19-pentahydroxy-23-methoxy-2,4,12,16,18,20,22-heptam ethyl-1,11-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-21-yl acetate, ... | Authors: | Tam, H.K, Foong, W.E, Pos, K.M. | Deposit date: | 2020-07-07 | Release date: | 2021-05-19 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Allosteric drug transport mechanism of multidrug transporter AcrB. Nat Commun, 12, 2021
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6ZP6
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![BU of 6zp6 by Molmil](/molmil-images/mine/6zp6) | Yeast 20S proteasome in complex with glidobactin-like natural product HB334 | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Probable proteasome subunit alpha type-7, ... | Authors: | Zhao, L, Le Chapelain, C, Brachmann, A.O, Kaiser, M, Groll, M, Bode, H.B. | Deposit date: | 2020-07-08 | Release date: | 2021-05-19 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Activation, Structure, Biosynthesis and Bioactivity of Glidobactin-like Proteasome Inhibitors from Photorhabdus laumondii. Chembiochem, 22, 2021
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5IL7
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1BE6
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![BU of 1be6 by Molmil](/molmil-images/mine/1be6) | TRANS-CINNAMOYL-SUBTILISIN IN ANHYDROUS ACETONITRILE | Descriptor: | ACETONITRILE, CALCIUM ION, PHENYLETHYLENECARBOXYLIC ACID, ... | Authors: | Schmitke, J.L, Stern, L.J, Klibanov, A.M. | Deposit date: | 1998-05-20 | Release date: | 1998-10-14 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Comparison of x-ray crystal structures of an acyl-enzyme intermediate of subtilisin Carlsberg formed in anhydrous acetonitrile and in water. Proc.Natl.Acad.Sci.USA, 95, 1998
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1B9T
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![BU of 1b9t by Molmil](/molmil-images/mine/1b9t) | NOVEL AROMATIC INHIBITORS OF INFLUENZA VIRUS NEURAMINIDASE MAKE SELECTIVE INTERACTIONS WITH CONSERVED RESIDUES AND WATER MOLECULES IN THE ACTIVE SITE | Descriptor: | 1-(4-CARBOXY-2-GUANIDINOPENTYL)-5,5'-DI(HYDROXYMETHYL)PYRROLIDIN-2-ONE, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Finley, J.B, Atigadda, V.R, Duarte, F, Zhao, J.J, Brouillette, W.J, Air, G.M, Luo, M. | Deposit date: | 1999-02-15 | Release date: | 1999-02-27 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Novel aromatic inhibitors of influenza virus neuraminidase make selective interactions with conserved residues and water molecules in the active site. J.Mol.Biol., 293, 1999
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6ZOU
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![BU of 6zou by Molmil](/molmil-images/mine/6zou) | Yeast 20S proteasome in complex with glidobactin-like natural product HB333 | Descriptor: | 11-methyl-~{N}-[(2~{S},3~{R})-1-[[(5~{S},8~{S},10~{S})-5-methyl-10-oxidanyl-2,7-bis(oxidanylidene)-1,6-diazacyclododec-8-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]dodecanamide, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Zhao, L, Le Chapelain, C, Brachmann, A.O, Kaiser, M, Groll, M, Bode, H.B. | Deposit date: | 2020-07-07 | Release date: | 2021-05-19 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Activation, Structure, Biosynthesis and Bioactivity of Glidobactin-like Proteasome Inhibitors from Photorhabdus laumondii. Chembiochem, 22, 2021
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1BA7
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![BU of 1ba7 by Molmil](/molmil-images/mine/1ba7) | SOYBEAN TRYPSIN INHIBITOR | Descriptor: | TRYPSIN INHIBITOR (KUNITZ) | Authors: | De Meester, P, Brick, P, Lloyd, L.F, Blow, D.M, Onesti, S. | Deposit date: | 1998-04-22 | Release date: | 1998-06-17 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure of the Kunitz-type soybean trypsin inhibitor (STI): implication for the interactions between members of the STI family and tissue-plasminogen activator. Acta Crystallogr.,Sect.D, 54, 1998
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7A5Y
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![BU of 7a5y by Molmil](/molmil-images/mine/7a5y) | Crystal structure of tetrameric human H215A-SAMHD1 (residues 109-626) with Rp-dGTP-alphaS (T8T) and Mg | Descriptor: | 2'-deoxyguanosine-5'-O-(1-thiotriphosphate), Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, FE (III) ION, ... | Authors: | Morris, E.R, Kunzelmann, S, Caswell, S.J, Purkiss, A, Taylor, I.A. | Deposit date: | 2020-08-24 | Release date: | 2021-05-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Probing the Catalytic Mechanism and Inhibition of SAMHD1 Using the Differential Properties of R p - and S p -dNTP alpha S Diastereomers. Biochemistry, 60, 2021
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1BF3
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![BU of 1bf3 by Molmil](/molmil-images/mine/1bf3) | P-HYDROXYBENZOATE HYDROXYLASE (PHBH) MUTANT WITH CYS 116 REPLACED BY SER (C116S) AND ARG 42 REPLACED BY LYS (R42K), IN COMPLEX WITH FAD AND 4-HYDROXYBENZOIC ACID | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, P-HYDROXYBENZOATE HYDROXYLASE, P-HYDROXYBENZOIC ACID | Authors: | Eppink, M.H.M, Schreuder, H.A, Van Berkel, W.J.H. | Deposit date: | 1998-05-26 | Release date: | 1998-08-12 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Lys42 and Ser42 variants of p-hydroxybenzoate hydroxylase from Pseudomonas fluorescens reveal that Arg42 is essential for NADPH binding. Eur.J.Biochem., 253, 1998
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1BDM
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6ZOA
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![BU of 6zoa by Molmil](/molmil-images/mine/6zoa) | Partially induced AcrB T protomer and DDM binding to the TM8/PC2 pathway of AcrB L2 protomer | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DARPIN, ... | Authors: | Tam, H.K, Foong, W.E, Pos, K.M. | Deposit date: | 2020-07-07 | Release date: | 2021-05-19 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Allosteric drug transport mechanism of multidrug transporter AcrB. Nat Commun, 12, 2021
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1BGS
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![BU of 1bgs by Molmil](/molmil-images/mine/1bgs) | RECOGNITION BETWEEN A BACTERIAL RIBONUCLEASE, BARNASE, AND ITS NATURAL INHIBITOR, BARSTAR | Descriptor: | BARNASE, BARSTAR | Authors: | Guillet, V, Lapthorn, A, Mauguen, Y. | Deposit date: | 1993-11-02 | Release date: | 1994-04-30 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Recognition between a bacterial ribonuclease, barnase, and its natural inhibitor, barstar. Structure, 1, 1993
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5EZP
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![BU of 5ezp by Molmil](/molmil-images/mine/5ezp) | Human transthyretin (TTR) complexed with 4-hydroxy-chalcone | Descriptor: | 1,2-ETHANEDIOL, 4-hydroxy-chalcone, Transthyretin | Authors: | Polsinelli, I, Nencetti, S, Shepard, W.E, Orlandini, E, Stura, E.A. | Deposit date: | 2015-11-26 | Release date: | 2016-01-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | A new crystal form of human transthyretin obtained with a curcumin derived ligand. J.Struct.Biol., 194, 2016
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1BIF
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![BU of 1bif by Molmil](/molmil-images/mine/1bif) | 6-PHOSPHOFRUCTO-2-KINASE/FRUCTOSE-2,6-BISPHOSPHATASE BIFUNCTIONAL ENZYME COMPLEXED WITH ATP-G-S AND PHOSPHATE | Descriptor: | 6-PHOSPHOFRUCTO-2-KINASE/ FRUCTOSE-2,6-BISPHOSPHATASE, GLYCEROL, MAGNESIUM ION, ... | Authors: | Hasemann, C.A, Deisenhofer, J. | Deposit date: | 1996-11-08 | Release date: | 1997-11-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The crystal structure of the bifunctional enzyme 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase reveals distinct domain homologies. Structure, 4, 1996
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6ZOC
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![BU of 6zoc by Molmil](/molmil-images/mine/6zoc) | Erythromycin binding to the access pocket of AcrB-G616P L protomer and 3-formylrifamycin SV binding to the access pocket of AcrB-G616P T protomer | Descriptor: | (2S,12Z,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)-8-formyl-5,6,9,17,19-pentahydroxy-23-methoxy-2,4,12,16,18,20,22-heptam ethyl-1,11-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-21-yl acetate, 1,2-ETHANEDIOL, DARPIN, ... | Authors: | Tam, H.K, Foong, W.E, Pos, K.M. | Deposit date: | 2020-07-07 | Release date: | 2021-05-19 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.89 Å) | Cite: | Allosteric drug transport mechanism of multidrug transporter AcrB. Nat Commun, 12, 2021
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6XIG
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