2YLT
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![BU of 2ylt by Molmil](/molmil-images/mine/2ylt) | SNAPSHOTS OF ENZYMATIC BAEYER-VILLIGER CATALYSIS: OXYGEN ACTIVATION AND INTERMEDIATE STABILIZATION: COMPLEX WITH NADP and MES | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Orru, R, Dudek, H.M, Martinoli, C, Torres Pazmino, D.E, Royant, A, Weik, M, Fraaije, M.W, Mattevi, A. | Deposit date: | 2011-06-06 | Release date: | 2011-06-22 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Snapshots of Enzymatic Baeyer-Villiger Catalysis: Oxygen Activation and Intermediate Stabilization. J.Biol.Chem., 286, 2011
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4GOU
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![BU of 4gou by Molmil](/molmil-images/mine/4gou) | Crystal structure of an RGS-RhoGEF from Entamoeba histolytica | Descriptor: | EhRGS-RhoGEF | Authors: | Bosch, D.E, Kimple, A.J, Muller, R.E, Willard, F.S, Machius, M, Siderovski, D.P. | Deposit date: | 2012-08-20 | Release date: | 2013-01-09 | Last modified: | 2013-01-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural Determinants of RGS-RhoGEF Signaling Critical to Entamoeba histolytica Pathogenesis. Structure, 21, 2013
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2Y81
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![BU of 2y81 by Molmil](/molmil-images/mine/2y81) | Structure and property based design of factor Xa inhibitors: pyrrolidin-2-ones with aminoindane and phenylpyrrolidine P4 motifs | Descriptor: | 6-CHLORO-N-((3S)-2-OXO-1-{4-[(2R)-2--PYRROLIDINYL] PHENYL}-3-PYRROLIDINYL)-2-NAPHTHALENESULFONAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | Authors: | Young, R.J, Adams, C, Blows, M, Brown, D, Burns-Kurtis, C.L, Chaudry, L, Chan, C, Convery, M.A, Davies, D.E, Exall, A.M, Foster, G, Harling, J.D, Hortense, E, Irving, W.R, Irvine, S, Jackson, S, Kleanthous, S, Pateman, A.J, Patikis, A.N, Roethka, T.J, Senger, S, Stelman, G.J, Toomey, J.R, West, R.I, Whittaker, C, Zhou, P, Watson, N.S. | Deposit date: | 2011-02-02 | Release date: | 2011-03-16 | Last modified: | 2019-10-16 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure and Property Based Design of Factor Xa Inhibitors: Pyrrolidin-2-Ones with Aminoindane and Phenylpyrrolidine P4 Motifs. Bioorg.Med.Chem.Lett., 21, 2011
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4L9M
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![BU of 4l9m by Molmil](/molmil-images/mine/4l9m) | Autoinhibited state of the Ras-specific exchange factor RasGRP1 | Descriptor: | CITRIC ACID, GLYCEROL, RAS guanyl-releasing protein 1, ... | Authors: | Iwig, J.S, Vercoulen, Y, Das, R, Barros, T, Limnander, A, Che, Y, Pelton, J.G, Wemmer, D.E, Roose, J.P, Kuriyan, J. | Deposit date: | 2013-06-18 | Release date: | 2013-08-21 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural analysis of autoinhibition in the Ras-specific exchange factor RasGRP1. Elife, 2, 2013
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4KWD
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![BU of 4kwd by Molmil](/molmil-images/mine/4kwd) | Crystal structure of Aspergillus terreus aristolochene synthase complexed with (1R,8R,9aS)-1,9a-dimethyl-8-(prop-1-en-2-yl)decahydroquinolizin-5-ium | Descriptor: | (1R,5R,8R,9aS)-1,9a-dimethyl-8-(prop-1-en-2-yl)octahydro-2H-quinolizinium, Aristolochene synthase, GLYCEROL, ... | Authors: | Chen, M, Al-lami, N, Janvier, M, D'Antonio, E.L, Faraldos, J.A, Cane, D.E, Allemann, R.K, Christianson, D.W. | Deposit date: | 2013-05-23 | Release date: | 2013-08-14 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.857 Å) | Cite: | Mechanistic insights from the binding of substrate and carbocation intermediate analogues to aristolochene synthase. Biochemistry, 52, 2013
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4GSX
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![BU of 4gsx by Molmil](/molmil-images/mine/4gsx) | High resolution structure of dengue virus serotype 1 sE containing stem | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CADMIUM ION, CHLORIDE ION, ... | Authors: | Klein, D.E, Choi, J.L, Harrison, S.C. | Deposit date: | 2012-08-28 | Release date: | 2012-12-19 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.903 Å) | Cite: | Structure of a dengue virus envelope protein late-stage fusion intermediate. J.Virol., 87, 2013
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4L4U
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![BU of 4l4u by Molmil](/molmil-images/mine/4l4u) | Crystal structure of construct containing A. aeolicus NtrC1 receiver, central and DNA binding domains | Descriptor: | Transcriptional regulator (NtrC family) | Authors: | Vidangos, N.K, Maris, A.E, Young, A, Hong, E, Pelton, J.G, Batchelor, J.D, Wemmer, D.E. | Deposit date: | 2013-06-09 | Release date: | 2013-08-28 | Last modified: | 2013-10-23 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure, function, and tethering of DNA-binding domains in sigma (54) transcriptional activators. Biopolymers, 99, 2013
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4FIL
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![BU of 4fil by Molmil](/molmil-images/mine/4fil) | Structure of FhuD2 from Staphylococcus Aureus with Bound Ferrioxamine B | Descriptor: | 1,2-ETHANEDIOL, Ferric hydroxamate receptor 2, Ferrioxamine B, ... | Authors: | Briere, L.K, Heinrichs, D.E, Shilton, B.H. | Deposit date: | 2012-06-08 | Release date: | 2013-06-12 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal and solution structure analysis of FhuD2 from Staphylococcus aureus in multiple unliganded conformations and bound to ferrioxamine-B. Biochemistry, 53, 2014
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4GSW
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![BU of 4gsw by Molmil](/molmil-images/mine/4gsw) | |
4GT0
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![BU of 4gt0 by Molmil](/molmil-images/mine/4gt0) | Structure of dengue virus serotype 1 sE containing stem to residue 421 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CADMIUM ION, CHLORIDE ION, ... | Authors: | Klein, D.E, Choi, J.L, Harrison, S.C. | Deposit date: | 2012-08-28 | Release date: | 2012-12-19 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | Structure of a dengue virus envelope protein late-stage fusion intermediate. J.Virol., 87, 2013
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4DZU
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![BU of 4dzu by Molmil](/molmil-images/mine/4dzu) | Complex of 3-alpha bound to gp41-5 | Descriptor: | 3-alpha, GLYCEROL, gp41-5 | Authors: | Johnson, L.M, Mortenson, D.E, Yun, H.G, Horne, W.S, Ketas, T.J, Lu, M, Moore, J.P, Gellman, S.H. | Deposit date: | 2012-03-01 | Release date: | 2012-05-02 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Enhancement of alpha-helix mimicry by an alpha / beta-peptide foldamer via incorporation of a dense ionic side-chain array. J.Am.Chem.Soc., 134, 2012
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4DZV
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![BU of 4dzv by Molmil](/molmil-images/mine/4dzv) | Complex of 4-alpha/beta bound to gp41-5 | Descriptor: | 4-alpha/beta, GLYCEROL, gp41-5 | Authors: | Johnson, L.M, Mortenson, D.E, Yun, H.G, Horne, W.S, Ketas, T.J, Lu, M, Moore, J.P, Gellman, S.H. | Deposit date: | 2012-03-01 | Release date: | 2012-05-02 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Enhancement of alpha-helix mimicry by an alpha / beta-peptide foldamer via incorporation of a dense ionic side-chain array. J.Am.Chem.Soc., 134, 2012
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4HNW
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![BU of 4hnw by Molmil](/molmil-images/mine/4hnw) | The NatA Acetyltransferase Complex Bound To Inositol Hexakisphosphate | Descriptor: | INOSITOL HEXAKISPHOSPHATE, N-terminal acetyltransferase A complex catalytic subunit ARD1, N-terminal acetyltransferase A complex subunit NAT1, ... | Authors: | Neubauer, J.L, Immormino, R.M, Dollins, D.E, Endo-Streeter, S.T, Pemble IV, C.W, York, J.D. | Deposit date: | 2012-10-21 | Release date: | 2014-03-26 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.801 Å) | Cite: | The Protein Complex NatA Binds Inositol Hexakisphosphate and Exhibits Conformational Flexibility To be Published
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4MCM
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![BU of 4mcm by Molmil](/molmil-images/mine/4mcm) | Human SOD1 C57S Mutant, As-isolated | Descriptor: | SULFATE ION, Superoxide dismutase [Cu-Zn], ZINC ION | Authors: | Sea, K, Sohn, S.H, Durazo, A, Sheng, Y, Shaw, B, Cao, X, Taylor, A.B, Whitson, L.J, Holloway, S.P, Hart, P.J, Cabelli, D.E, Gralla, E.B, Valentine, J.S. | Deposit date: | 2013-08-21 | Release date: | 2014-08-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Insights into the role of the unusual disulfide bond in copper-zinc superoxide dismutase. J.Biol.Chem., 290, 2015
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4HNY
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![BU of 4hny by Molmil](/molmil-images/mine/4hny) | Apo N-terminal acetyltransferase complex A | Descriptor: | GLYCEROL, N-terminal acetyltransferase A complex catalytic subunit ARD1, N-terminal acetyltransferase A complex subunit NAT1, ... | Authors: | Neubauer, J.L, Immormino, R.M, Dollins, D.E, Endo-Streeter, S.T, Pemble IV, C.W, York, J.D. | Deposit date: | 2012-10-21 | Release date: | 2014-03-26 | Method: | X-RAY DIFFRACTION (2.249 Å) | Cite: | The Protein Complex NatA Binds Inositol Hexakisphosphate and Exhibits Conformational Flexibility To be Published
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2YLX
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![BU of 2ylx by Molmil](/molmil-images/mine/2ylx) | SNAPSHOTS OF ENZYMATIC BAEYER-VILLIGER CATALYSIS: OXYGEN ACTIVATION AND INTERMEDIATE STABILIZATION: Asp66Ala MUTANT IN COMPLEX WITH NADP AND MES | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Orru, R, Dudek, H.M, Martinoli, C, Torres Pazmino, D.E, Royant, A, Weik, M, Fraaije, M.W, Mattevi, A. | Deposit date: | 2011-06-06 | Release date: | 2011-06-22 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Snapshots of Enzymatic Baeyer-Villiger Catalysis: Oxygen Activation and Intermediate Stabilization. J.Biol.Chem., 286, 2011
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2Y80
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![BU of 2y80 by Molmil](/molmil-images/mine/2y80) | Structure and property based design of factor Xa inhibitors: pyrrolidin-2-ones with aminoindane and phenylpyrrolidine P4 motifs | Descriptor: | 6-CHLORO-N-{(3S)-1-[(1S)-1-(DIMETHYLAMINO)-2,3-DIHYDRO-1H-INDEN-5-YL]-2-OXO-3-PYRROLIDINYL}-2-NAPHTHALENESULFONAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | Authors: | Young, R.J, Adams, C, Blows, M, Brown, D, Burns-Kurtis, C.L, Chaudry, L, Chan, C, Convery, M.A, Davies, D.E, Exall, A.M, Foster, G, Harling, J.D, Hortense, E, Irving, W.R, Irvine, S, Jackson, S, Kleanthous, S, Pateman, A.J, Patikis, A.N, Roethka, T.J, Senger, S, Stelman, G.J, Toomey, J.R, West, R.I, Whittaker, C, Zhou, P, Watson, N.S. | Deposit date: | 2011-02-02 | Release date: | 2011-03-16 | Last modified: | 2019-10-16 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure and Property Based Design of Factor Xa Inhibitors: Pyrrolidin-2-Ones with Aminoindane and Phenylpyrrolidine P4 Motifs. Bioorg.Med.Chem.Lett., 21, 2011
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4HJD
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![BU of 4hjd by Molmil](/molmil-images/mine/4hjd) | GCN4pLI derivative with alpha/beta/acyclic-gamma amino acid substitution pattern | Descriptor: | GCN4pLI(alpha/beta/acyclic gamma) | Authors: | Shin, Y.H, Mortenson, D.E, Satyshur, K.A, Forest, K.T, Gellman, S.H. | Deposit date: | 2012-10-12 | Release date: | 2013-06-12 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Differential Impact of beta and gamma Residue Preorganization on alpha / beta / gamma-Peptide Helix Stability in Water. J.Am.Chem.Soc., 135, 2013
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4LTZ
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![BU of 4ltz by Molmil](/molmil-images/mine/4ltz) | F95M Epi-isozizaene synthase: Complex with Mg, inorganic pyrophosphate and benzyl triethyl ammonium cation | Descriptor: | Epi-isozizaene synthase, GLYCEROL, MAGNESIUM ION, ... | Authors: | Li, R, Chou, W, Himmelberger, J.A, Litwin, K, Harris, G, Cane, D.E, Christianson, D.W. | Deposit date: | 2013-07-24 | Release date: | 2013-12-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.448 Å) | Cite: | Reprogramming the Chemodiversity of Terpenoid Cyclization by Remolding the Active Site Contour of epi-Isozizaene Synthase. Biochemistry, 53, 2014
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4LUU
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![BU of 4luu by Molmil](/molmil-images/mine/4luu) | V329A Epi-isozizaene synthase: Complex with Mg, inorganic pyrophosphate and benzyl triethyl ammonium cation | Descriptor: | Epi-isozizaene synthase, GLYCEROL, MAGNESIUM ION, ... | Authors: | Li, R, Chou, W, Himmelberger, J.A, Litwin, K, Harris, G, Cane, D.E, Christianson, D.W. | Deposit date: | 2013-07-25 | Release date: | 2013-12-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Reprogramming the Chemodiversity of Terpenoid Cyclization by Remolding the Active Site Contour of epi-Isozizaene Synthase. Biochemistry, 53, 2014
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4LXW
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![BU of 4lxw by Molmil](/molmil-images/mine/4lxw) | L72V Epi-isozizaene synthase: Complex with Mg, inorganic pyrophosphate and benzyl triethyl ammonium cation | Descriptor: | Epi-isozizaene synthase, GLYCEROL, MAGNESIUM ION, ... | Authors: | Li, R, Chou, W, Himmelberger, J.A, Litwin, K, Harris, G, Cane, D.E, Christianson, D.W. | Deposit date: | 2013-07-30 | Release date: | 2013-12-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.092 Å) | Cite: | Reprogramming the Chemodiversity of Terpenoid Cyclization by Remolding the Active Site Contour of epi-Isozizaene Synthase. Biochemistry, 53, 2014
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4FXI
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![BU of 4fxi by Molmil](/molmil-images/mine/4fxi) | |
4HJB
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![BU of 4hjb by Molmil](/molmil-images/mine/4hjb) | GCN4pLI derivative with alpha/beta/cyclic-gamma amino acid substitution pattern | Descriptor: | GCN4pLI(alpha/beta/cyclic-gamma) | Authors: | Shin, Y.H, Mortenson, D.E, Satyshur, K.A, Forest, K.T, Gellman, S.H. | Deposit date: | 2012-10-12 | Release date: | 2013-06-12 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Differential Impact of beta and gamma Residue Preorganization on alpha / beta / gamma-Peptide Helix Stability in Water. J.Am.Chem.Soc., 135, 2013
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4LZ3
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![BU of 4lz3 by Molmil](/molmil-images/mine/4lz3) | F95H Epi-isozizaene synthase: Complex with Mg, inorganic pyrophosphate and benzyl triethyl ammonium cation | Descriptor: | Epi-isozizaene synthase, GLYCEROL, HYDROGENPHOSPHATE ION, ... | Authors: | Li, R, Chou, W, Himmelberger, J.A, Litwin, K, Harris, G, Cane, D.E, Christianson, D.W. | Deposit date: | 2013-07-31 | Release date: | 2013-12-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.095 Å) | Cite: | Reprogramming the Chemodiversity of Terpenoid Cyclization by Remolding the Active Site Contour of epi-Isozizaene Synthase. Biochemistry, 53, 2014
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4LZ0
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![BU of 4lz0 by Molmil](/molmil-images/mine/4lz0) | A236G Epi-isozizaene synthase: Complex with Mg, inorganic pyrophosphate and benzyl triethyl ammonium cation | Descriptor: | Epi-isozizaene synthase, MAGNESIUM ION, N-benzyl-N,N-diethylethanaminium, ... | Authors: | Li, R, Chou, W, Himmelberger, J.A, Litwin, K, Harris, G, Cane, D.E, Christianson, D.W. | Deposit date: | 2013-07-31 | Release date: | 2013-12-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.754 Å) | Cite: | Reprogramming the Chemodiversity of Terpenoid Cyclization by Remolding the Active Site Contour of epi-Isozizaene Synthase. Biochemistry, 53, 2014
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