2TDD
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![BU of 2tdd by Molmil](/molmil-images/mine/2tdd) | STRUCTURES OF THYMIDYLATE SYNTHASE WITH A C-TERMINAL DELETION: ROLE OF THE C-TERMINUS IN ALIGNMENT OF D/UMP AND CH2H4FOLATE | Descriptor: | 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, 5-HYDROXYMETHYLENE-6-HYDROFOLIC ACID, THYMIDYLATE SYNTHASE | Authors: | Perry, K.M, Carreras, C.W, Chang, L.C, Santi, D.V, Stroud, R.M. | Deposit date: | 1993-04-05 | Release date: | 1993-07-15 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structures of thymidylate synthase with a C-terminal deletion: role of the C-terminus in alignment of 2'-deoxyuridine 5'-monophosphate and 5,10-methylenetetrahydrofolate. Biochemistry, 32, 1993
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2TDM
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![BU of 2tdm by Molmil](/molmil-images/mine/2tdm) | STRUCTURE OF THYMIDYLATE SYNTHASE | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE | Authors: | Finer-Moore, J, Stroud, R.M. | Deposit date: | 1997-03-28 | Release date: | 1997-08-20 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Refined structures of substrate-bound and phosphate-bound thymidylate synthase from Lactobacillus casei. J.Mol.Biol., 232, 1993
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3E70
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![BU of 3e70 by Molmil](/molmil-images/mine/3e70) | Structures and conformations in solution of the Signal Recognition Particle Receptor from the Archaeon Pyrococcus Furiosus | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Signal recognition particle receptor | Authors: | Egea, P.F, Tsuruta, H, Napetschnig, J, Walter, P, Stroud, R.M. | Deposit date: | 2008-08-17 | Release date: | 2008-11-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Structures of the signal recognition particle receptor from the archaeon Pyrococcus furiosus: implications for the targeting step at the membrane. Plos One, 3, 2008
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3EKW
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![BU of 3ekw by Molmil](/molmil-images/mine/3ekw) | Crystal structure of the inhibitor Atazanavir (ATV) in complex with a multi-drug resistance HIV-1 protease variant (L10I/G48V/I54V/V64I/V82A) Refer: FLAP+ in citation. | Descriptor: | (3S,8S,9S,12S)-3,12-BIS(1,1-DIMETHYLETHYL)-8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)-6-[[4-(2-PYRIDINYL)PHENYL]METHYL]-2,5, 6,10,13-PENTAAZATETRADECANEDIOIC ACID DIMETHYL ESTER, PHOSPHATE ION, ... | Authors: | Prabu-Jeyabalan, M, King, N.M, Bandaranayake, R.M. | Deposit date: | 2008-09-19 | Release date: | 2009-09-01 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Extreme Entropy-Enthalpy Compensation in a Drug-Resistant Variant of HIV-1 Protease. Acs Chem.Biol., 7, 2012
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2X34
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![BU of 2x34 by Molmil](/molmil-images/mine/2x34) | Structure of a polyisoprenoid binding domain from Saccharophagus degradans implicated in plant cell wall breakdown | Descriptor: | CELLULOSE-BINDING PROTEIN, X158, Ubiquinone-8 | Authors: | Vincent, F, Dal Molin, D, Weiner, R.M, Bourne, Y, Henrissat, B. | Deposit date: | 2010-01-19 | Release date: | 2010-03-23 | Last modified: | 2018-03-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of a Polyisoprenoid Binding Domain from Saccharophagus Degradans Implicated in Plant Cell Wall Breakdown FEBS Lett., 584, 2010
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5LMM
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![BU of 5lmm by Molmil](/molmil-images/mine/5lmm) | Structure of E coli Hydrogenase Hyd-1 mutant E28Q | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CARBONMONOXIDE-(DICYANO) IRON, CHLORIDE ION, ... | Authors: | Carr, S.B, Phillips, S.E.V, Evans, R.M, Brooke, E.J, Armstrong, F.A. | Deposit date: | 2016-08-01 | Release date: | 2017-08-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Kinetic consequences of re-engineering the outer shell "canopy" above the active site of a [NiFe]-hydrogenase. To Be Published
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3E2J
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![BU of 3e2j by Molmil](/molmil-images/mine/3e2j) | |
5LVO
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![BU of 5lvo by Molmil](/molmil-images/mine/5lvo) | Human PDK1 Kinase Domain in Complex with Allosteric Compound PSE10 Bound to the PIF-Pocket | Descriptor: | 2-oxidanylidenepropyl ~{N}-(2-chloranyl-6-fluoranyl-phenyl)carbonyl-~{N}'-(4-chlorophenyl)carbamimidothioate, 3-phosphoinositide-dependent protein kinase 1, ADENOSINE-5'-TRIPHOSPHATE, ... | Authors: | Schulze, J.O, Saladino, G, Busschots, K, Neimanis, S, Suess, E, Odadzic, D, Zeuzem, S, Hindie, V, Herbrand, A.K, Lisa, M.N, Alzari, P.M, Gervasio, F.L, Biondi, R.M. | Deposit date: | 2016-09-14 | Release date: | 2016-10-19 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.09 Å) | Cite: | Bidirectional Allosteric Communication between the ATP-Binding Site and the Regulatory PIF Pocket in PDK1 Protein Kinase. Cell Chem Biol, 23, 2016
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5MHK
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![BU of 5mhk by Molmil](/molmil-images/mine/5mhk) | ICP4 DNA-binding domain in complex with 19mer DNA duplex from its own promoter | Descriptor: | CHLORIDE ION, DNA (5'-D(*GP*CP*TP*CP*CP*GP*TP*GP*TP*GP*GP*AP*CP*GP*AP*TP*CP*GP*G)-3'), ICP4 DNA BINDING DOMAIN, ... | Authors: | Tunnicliffe, R.B, Lockhart-Cairns, M.P, Levy, C, Mould, P, Jowitt, T.A, Sito, H, Baldock, C, Sandri-Goldin, R.M, Golovanov, A.P. | Deposit date: | 2016-11-24 | Release date: | 2017-05-24 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | The herpes viral transcription factor ICP4 forms a novel DNA recognition complex. Nucleic Acids Res., 45, 2017
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2VCM
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![BU of 2vcm by Molmil](/molmil-images/mine/2vcm) | Isopenicillin N synthase with substrate analogue AsMCOV | Descriptor: | FE (II) ION, ISOPENICILLIN N SYNTHETASE, N^6^-[(1R,2S)-1-({[(1R)-1-carboxy-2-methylpropyl]oxy}carbonyl)-2-sulfanylpropyl]-6-oxo-L-lysine, ... | Authors: | Ge, W, Clifton, I.J, Adlington, R.M, Baldwin, J.E, Rutledge, P.J. | Deposit date: | 2007-09-25 | Release date: | 2008-11-04 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structural Studies on the Reaction of Isopenicillin N Synthase with a Sterically Demanding Depsipeptide Substrate Analogue. Chembiochem, 10, 2009
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5MRD
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![BU of 5mrd by Molmil](/molmil-images/mine/5mrd) | Human PDK1-PKCiota Kinase Chimera in Complex with Allosteric Compound PS267 Bound to the PIF-Pocket | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 3-phosphoinositide-dependent protein kinase 1, ADENOSINE-5'-TRIPHOSPHATE, ... | Authors: | Arencibia, J.M, Froehner, W, Krupa, M, Pastor-Flores, D, Merker, P, Oellerich, T, Neimanis, S, Schmithals, C, Koeberle, V, Suess, E, Zeuzem, S, Stark, H, Piiper, A, Odadzic, D, Schulze, J.O, Biondi, R.M. | Deposit date: | 2016-12-22 | Release date: | 2017-01-18 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | An Allosteric Inhibitor Scaffold Targeting the PIF-Pocket of Atypical Protein Kinase C Isoforms. ACS Chem. Biol., 12, 2017
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5MCP
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![BU of 5mcp by Molmil](/molmil-images/mine/5mcp) | Structure of IMP dehydrogenase from Ashbya gossypii bound to ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Inosine-5'-monophosphate dehydrogenase, MAGNESIUM ION | Authors: | Winter, G, Fernandez-Justel, D, de Pereda, J.M, Revuelta, J.L, Buey, R.M. | Deposit date: | 2016-11-10 | Release date: | 2017-06-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | A nucleotide-controlled conformational switch modulates the activity of eukaryotic IMP dehydrogenases. Sci Rep, 7, 2017
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2W2O
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![BU of 2w2o by Molmil](/molmil-images/mine/2w2o) | PCSK9-deltaC D374Y mutant bound to WT EGF-A of LDLR | Descriptor: | CALCIUM ION, LOW-DENSITY LIPOPROTEIN RECEPTOR, PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 | Authors: | Bottomley, M.J, Cirillo, A, Orsatti, L, Ruggeri, L, Fisher, T.S, Santoro, J.C, Cummings, R.T, Cubbon, R.M, Lo Surdo, P, Calzetta, A, Noto, A, Baysarowich, J, Mattu, M, Talamo, F, De Francesco, R, Sparrow, C.P, Sitlani, A, Carfi, A. | Deposit date: | 2008-11-03 | Release date: | 2008-11-18 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | Structural and Biochemical Characterization of the Wild Type Pcsk9/Egf-Ab Complex and Natural Fh Mutants. J.Biol.Chem., 284, 2009
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5MYC
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![BU of 5myc by Molmil](/molmil-images/mine/5myc) | Crystal structure of human 14-3-3 sigma in complex with LRRK2 peptide pS910 | Descriptor: | 14-3-3 protein sigma, CALCIUM ION, CHLORIDE ION, ... | Authors: | Stevers, L.M, de Vries, R.M.J.M, Ottmann, C. | Deposit date: | 2017-01-26 | Release date: | 2017-03-01 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.459 Å) | Cite: | Structural interface between LRRK2 and 14-3-3 protein. Biochem. J., 474, 2017
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3EXE
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![BU of 3exe by Molmil](/molmil-images/mine/3exe) | Crystal structure of the pyruvate dehydrogenase (E1p) component of human pyruvate dehydrogenase complex | Descriptor: | GLYCEROL, MANGANESE (II) ION, POTASSIUM ION, ... | Authors: | Kato, M, Wynn, R.M, Chuang, J.L, Tso, S.-C, Machius, M, Li, J, Chuang, D.T. | Deposit date: | 2008-10-16 | Release date: | 2008-11-25 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.979 Å) | Cite: | Structural basis for inactivation of the human pyruvate dehydrogenase complex by phosphorylation: role of disordered phosphorylation loops. Structure, 16, 2008
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2W2Q
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![BU of 2w2q by Molmil](/molmil-images/mine/2w2q) | PCSK9-deltaC D374H mutant bound to WT EGF-A of LDLR | Descriptor: | CALCIUM ION, LOW-DENSITY LIPOPROTEIN RECEPTOR, PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 | Authors: | Bottomley, M.J, Cirillo, A, Orsatti, L, Ruggeri, L, Fisher, T.S, Santoro, J.C, Cummings, R.T, Cubbon, R.M, Lo Surdo, P, Calzetta, A, Noto, A, Baysarowich, J, Mattu, M, Talamo, F, De Francesco, R, Sparrow, C.P, Sitlani, A, Carfi, A. | Deposit date: | 2008-11-03 | Release date: | 2008-11-18 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Structural and Biochemical Characterization of the Wild Type Pcsk9/Egf-Ab Complex and Natural Fh Mutants. J.Biol.Chem., 284, 2009
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3EXI
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![BU of 3exi by Molmil](/molmil-images/mine/3exi) | Crystal structure of the pyruvate dehydrogenase (E1p) component of human pyruvate dehydrogenase complex with the subunit-binding domain (SBD) of E2p, but SBD cannot be modeled into the electron density | Descriptor: | CHLORIDE ION, POTASSIUM ION, Pyruvate dehydrogenase E1 component subunit alpha, ... | Authors: | Kato, M, Wynn, R.M, Chuang, J.L, Tso, S.-C, Machius, M, Li, J, Chuang, D.T. | Deposit date: | 2008-10-16 | Release date: | 2008-11-25 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural basis for inactivation of the human pyruvate dehydrogenase complex by phosphorylation: role of disordered phosphorylation loops. Structure, 16, 2008
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3EXH
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![BU of 3exh by Molmil](/molmil-images/mine/3exh) | Crystal structure of the pyruvate dehydrogenase (E1p) component of human pyruvate dehydrogenase complex | Descriptor: | GLYCEROL, MANGANESE (II) ION, POTASSIUM ION, ... | Authors: | Kato, M, Wynn, R.M, Chuang, J.L, Tso, S.-C, Machius, M, Li, J, Chuang, D.T. | Deposit date: | 2008-10-16 | Release date: | 2008-11-25 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.444 Å) | Cite: | Structural basis for inactivation of the human pyruvate dehydrogenase complex by phosphorylation: role of disordered phosphorylation loops. Structure, 16, 2008
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2W8X
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![BU of 2w8x by Molmil](/molmil-images/mine/2w8x) | Structure of the tick ion-channel modulator Ra-KLP | Descriptor: | ACETATE ION, GLYCEROL, IMIDAZOLE, ... | Authors: | Paesen, G.C, Siebold, C, Dallas, M, Peers, C, Harlos, K, Nuttall, P.A, Nunn, M.A, Stuart, D.I, Esnouf, R.M. | Deposit date: | 2009-01-20 | Release date: | 2009-05-05 | Last modified: | 2017-06-28 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | An Ion-Channel Modulator from the Saliva of the Brown Ear Tick Has a Highly Modified Kunitz/Bpti Structure. J.Mol.Biol., 389, 2009
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5MY9
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![BU of 5my9 by Molmil](/molmil-images/mine/5my9) | Crystal structure of human 14-3-3 sigma in complex with LRRK2 peptide pS935 | Descriptor: | 14-3-3 protein sigma, CALCIUM ION, CHLORIDE ION, ... | Authors: | Stevers, L.M, de Vries, R.M.J.M, Ottmann, C. | Deposit date: | 2017-01-26 | Release date: | 2017-03-01 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.327 Å) | Cite: | Structural interface between LRRK2 and 14-3-3 protein. Biochem. J., 474, 2017
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5N0J
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![BU of 5n0j by Molmil](/molmil-images/mine/5n0j) | Structure of a novel oxidoreductase from Gloeobacter violaceus | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Gll2934 protein, SULFATE ION | Authors: | Buey, R.M, Galindo-Trigo, S, de Pereda, J.M, Balsera, M. | Deposit date: | 2017-02-03 | Release date: | 2017-11-15 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.949 Å) | Cite: | Unprecedented pathway of reducing equivalents in a diflavin-linked disulfide oxidoreductase. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5N2R
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![BU of 5n2r by Molmil](/molmil-images/mine/5n2r) | Crystal structure of stabilized A2A adenosine receptor A2AR-StaR2-bRIL in complex with PSB36 at 2.8A resolution | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1-butyl-3-[(~{E})-3-oxidanylprop-1-enyl]-8-[(1~{R},5~{S})-3-tricyclo[3.3.1.0^{3,7}]nonanyl]-7~{H}-purine-2,6-dione, Adenosine receptor A2a,Soluble cytochrome b562,ADENOSINE RECEPTOR A2A SOLUBLE CYTOCHROME B562 ADENOSINE RECEPTOR A2A,Adenosine receptor A2a, ... | Authors: | Cheng, R.K.Y, Segala, E, Robertson, N, Deflorian, F, Dore, A.S, Errey, J.C, Fiez-Vandal, C, Marshall, F.H, Cooke, R.M. | Deposit date: | 2017-02-08 | Release date: | 2017-07-26 | Last modified: | 2017-08-09 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structures of Human A1 and A2A Adenosine Receptors with Xanthines Reveal Determinants of Selectivity. Structure, 25, 2017
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5MZJ
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![BU of 5mzj by Molmil](/molmil-images/mine/5mzj) | Crystal structure of stabilized A2A adenosine receptor A2AR-StaR2-bRIL in complex with theophylline at 2.0A resolution | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, CHOLESTEROL, ... | Authors: | Cheng, R.K.Y, Segala, E, Robertson, N, Deflorian, F, Dore, A.S, Errey, J.C, Fiez-Vandal, C, Marshall, F.H, Cooke, R.M. | Deposit date: | 2017-01-31 | Release date: | 2017-07-26 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structures of Human A1 and A2A Adenosine Receptors with Xanthines Reveal Determinants of Selectivity. Structure, 25, 2017
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3DLV
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![BU of 3dlv by Molmil](/molmil-images/mine/3dlv) | Structures of SRP54 and SRP19, the two proteins assembling the ribonucleic core of the Signal Recognition Particle from the archaeon Pyrococcus furiosus. | Descriptor: | Signal recognition particle 19 kDa protein | Authors: | Egea, P.F, Napetschnig, J, Walter, P, Stroud, R.M. | Deposit date: | 2008-06-29 | Release date: | 2008-11-04 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Structures of SRP54 and SRP19, the two proteins that organize the ribonucleic core of the signal recognition particle from Pyrococcus furiosus. Plos One, 3, 2008
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5NJ6
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![BU of 5nj6 by Molmil](/molmil-images/mine/5nj6) | Crystal structure of a thermostabilised human protease-activated receptor-2 (PAR2) in ternary complex with Fab3949 and AZ7188 at 4.0 angstrom resolution | Descriptor: | Fab3949 H, Fab3949 L, Proteinase-activated receptor 2,Soluble cytochrome b562,Proteinase-activated receptor 2 | Authors: | Cheng, R.K.Y, Fiez-Vandal, C, Schlenker, O, Edman, K, Aggeler, B, Brown, D.G, Brown, G, Cooke, R.M, Dumelin, C.E, Dore, A.S, Geschwindner, S, Grebner, C, Hermansson, N.-O, Jazayeri, A, Johansson, P, Leong, L, Prihandoko, R, Rappas, M, Soutter, H, Snijder, A, Sundstrom, L, Tehan, B, Thornton, P, Troast, D, Wiggin, G, Zhukov, A, Marshall, F.H, Dekker, N. | Deposit date: | 2017-03-28 | Release date: | 2017-05-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (4 Å) | Cite: | Structural insight into allosteric modulation of protease-activated receptor 2. Nature, 545, 2017
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