2O8D
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![BU of 2o8d by Molmil](/molmil-images/mine/2o8d) | human MutSalpha (MSH2/MSH6) bound to ADP and a G dU mispair | Descriptor: | 5'-D(*CP*CP*TP*AP*GP*CP*GP*(DU)P*GP*CP*GP*GP*TP*TP*C)-3', 5'-D(*GP*AP*AP*CP*CP*GP*CP*GP*CP*GP*CP*TP*AP*GP*G)-3', ADENOSINE-5'-DIPHOSPHATE, ... | Authors: | Warren, J.J, Pohlhaus, T.J, Changela, A, Modrich, P.L, Beese, L.S. | Deposit date: | 2006-12-12 | Release date: | 2007-06-05 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structure of the Human MutSalpha DNA Lesion Recognition Complex. Mol.Cell, 26, 2007
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1V35
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![BU of 1v35 by Molmil](/molmil-images/mine/1v35) | Crystal Structure of Eoyl-ACP Reductase with NADH | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, enoyl-ACP reductase | Authors: | SwarnaMukhi, P.L, Kapoor, M, surolia, N, Surolia, A, Suguna, K. | Deposit date: | 2003-10-28 | Release date: | 2004-09-28 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural basis for the variation in triclosan affinity to enoyl reductases. J.Mol.Biol., 343, 2004
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2OKI
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![BU of 2oki by Molmil](/molmil-images/mine/2oki) | Crystal structure of dimeric form of PfFabZ in crystal form2 | Descriptor: | Beta-hydroxyacyl-ACP dehydratase | Authors: | Swarnamukhi, P.L, Sharma, S.K, Padala, P, Surolia, N, Surolia, A, Suguna, K. | Deposit date: | 2007-01-17 | Release date: | 2007-04-10 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Packing and loop-structure variations in non-isomorphous crystals of FabZ from Plasmodium falciparum ACTA CRYSTALLOGR.,SECT.D, 63, 2007
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1N5Y
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![BU of 1n5y by Molmil](/molmil-images/mine/1n5y) | HIV-1 Reverse Transcriptase Crosslinked to Post-Translocation AZTMP-Terminated DNA (Complex P) | Descriptor: | 5'-D(*A*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*(ATM))-3', 5'-D(*AP*TP*GP*C*TP*AP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*GP*TP*G)-3', MAGNESIUM ION, ... | Authors: | Sarafianos, S.G, Clark Jr, A.D, Das, K, Tuske, S, Birktoft, J.J, Ilankumaran, P, Ramesha, A.R, Sayer, J.M, Jerina, D.M, Boyer, P.L, Hughes, S.H, Arnold, E. | Deposit date: | 2002-11-07 | Release date: | 2003-01-28 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structure of HIV-1 Reverse Transcriptase with Pre-Translocation and Post-Translocation AZTMP-Terminated DNA Embo J., 21, 2002
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1N6Q
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![BU of 1n6q by Molmil](/molmil-images/mine/1n6q) | HIV-1 Reverse Transcriptase Crosslinked to pre-translocation AZTMP-terminated DNA (complex N) | Descriptor: | 5'-D(*A*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*AP*(ATM))-3', 5'-D(*AP*T*GP*CP*AP*TP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*GP*TP*G)-3', MAGNESIUM ION, ... | Authors: | Sarafianos, S.G, Clark Jr, A.D, Das, K, Tuske, S, Birktoft, J.J, Ilankumaran, I, Ramesha, A.R, Sayer, J.M, Jerina, D.M, Boyer, P.L, Hughes, S.H, Arnold, E. | Deposit date: | 2002-11-11 | Release date: | 2003-01-14 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structures of HIV-1 Reverse Transcriptase with Pre- and Post-translocation AZTMP-terminated DNA Embo J., 21, 2002
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1NP8
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![BU of 1np8 by Molmil](/molmil-images/mine/1np8) | 18-k C-terminally trunucated small subunit of calpain | Descriptor: | CADMIUM ION, Calcium-dependent protease, small subunit | Authors: | Leinala, E.K, Arthur, J.S, Grochulski, P, Davies, P.L, Elce, J.S, Jia, Z. | Deposit date: | 2003-01-17 | Release date: | 2003-11-18 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A second binding site revealed by C-terminal truncation of calpain small subunit, a penta-EF-hand protein PROTEINS: STRUCT.,FUNCT.,GENET., 53, 2003
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2PTS
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![BU of 2pts by Molmil](/molmil-images/mine/2pts) | |
1TBW
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![BU of 1tbw by Molmil](/molmil-images/mine/1tbw) | Ligand Induced Conformational Shift in the N-terminal Domain of GRP94, Open Conformation | Descriptor: | ADENOSINE MONOPHOSPHATE, Endoplasmin, MAGNESIUM ION, ... | Authors: | Gewirth, D.T, Immormino, R.M, Dollins, D.E, Shaffer, P.L, Walker, M.A, Soldano, K.L. | Deposit date: | 2004-05-20 | Release date: | 2004-08-24 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Ligand-induced Conformational Shift in the N-terminal Domain of GRP94, an Hsp90 Chaperone. J.Biol.Chem., 279, 2004
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1TC0
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![BU of 1tc0 by Molmil](/molmil-images/mine/1tc0) | Ligand Induced Conformational Shifts in the N-terminal Domain of GRP94, Open Conformation Complexed with the physiological partner ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Endoplasmin, MAGNESIUM ION, ... | Authors: | Gewirth, D.T, Immormino, R.M, Dollins, D.E, Shaffer, P.L, Walker, M.A, Soldano, K.L. | Deposit date: | 2004-05-20 | Release date: | 2004-08-24 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Ligand-induced Conformational Shift in the N-terminal Domain of GRP94, an Hsp90 Chaperone. J.Biol.Chem., 279, 2004
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1TL9
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![BU of 1tl9 by Molmil](/molmil-images/mine/1tl9) | High resolution crystal structure of calpain I protease core in complex with leupeptin | Descriptor: | CALCIUM ION, Calpain 1, large [catalytic] subunit, ... | Authors: | Moldoveanu, T, Campbell, R.L, Cuerrier, D, Davies, P.L. | Deposit date: | 2004-06-09 | Release date: | 2004-11-02 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structures of Calpain-E64 and -Leupeptin Inhibitor Complexes Reveal Mobile Loops Gating the Active Site J.Mol.Biol., 343, 2004
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1TC6
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![BU of 1tc6 by Molmil](/molmil-images/mine/1tc6) | Ligand Induced Conformational Shift in the N-terminal Domain of GRP94, Open Conformation ADP-Complex | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Endoplasmin, MAGNESIUM ION, ... | Authors: | Gewirth, D.T, Immormino, R.M, Dollins, D.E, Shaffer, P.L, Walker, M.A, Soldano, K.L. | Deposit date: | 2004-05-20 | Release date: | 2004-08-24 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Ligand-induced Conformational Shift in the N-terminal Domain of GRP94, an Hsp90 Chaperone. J.Biol.Chem., 279, 2004
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1QH7
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![BU of 1qh7 by Molmil](/molmil-images/mine/1qh7) | CATALYSIS AND SPECIFICITY IN ENZYMATIC GLYCOSIDE HYDROLASES: A 2,5B CONFORMATION FOR THE GLYCOSYL-ENZYME INTERMIDIATE REVEALED BY THE STRUCTURE OF THE BACILLUS AGARADHAERENS FAMILY 11 XYLANASE | Descriptor: | XYLANASE, beta-D-xylopyranose | Authors: | Sabini, E, Sulzenbacher, G, Dauter, M, Dauter, Z, Jorgensen, P.L, Schulein, M, Dupont, C, Davies, G.J, Wilson, K.S. | Deposit date: | 1999-05-11 | Release date: | 2000-05-17 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Catalysis and specificity in enzymatic glycoside hydrolysis: a 2,5B conformation for the glycosyl-enzyme intermediate revealed by the structure of the Bacillus agaradhaerens family 11 xylanase. Chem.Biol., 6, 1999
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2POA
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![BU of 2poa by Molmil](/molmil-images/mine/2poa) | Schistosoma mansoni Sm14 Fatty Acid-Binding Protein: improvement of protein stability by substitution of the single Cys62 residue | Descriptor: | 14 kDa fatty acid-binding protein | Authors: | Ramos, C.R.R, Oyama Jr, S, Sforca, M.L, Pertinhez, T.A, Ho, P.L, Spisni, A. | Deposit date: | 2007-04-26 | Release date: | 2008-06-10 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Stability improvement of the fatty acid binding protein Sm14 from S. mansoni by Cys replacement: Structural and functional characterization of a vaccine candidate. Biochim.Biophys.Acta, 1794, 2009
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1TJU
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![BU of 1tju by Molmil](/molmil-images/mine/1tju) | Crystal Structure of T161S Duck Delta 2 Crystallin Mutant | Descriptor: | Delta crystallin II | Authors: | Sampaleanu, L.M, Codding, P.W, Lobsanov, Y.D, Tsai, M, Smith, G.D, Horvatin, C, Howell, P.L. | Deposit date: | 2004-06-07 | Release date: | 2004-09-07 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural studies of duck delta2 crystallin mutants provide insight into the role of Thr161 and the 280s loop in catalysis Biochem.J., 384, 2004
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1TLO
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![BU of 1tlo by Molmil](/molmil-images/mine/1tlo) | High resolution crystal structure of calpain I protease core in complex with E64 | Descriptor: | CALCIUM ION, Calpain 1, large [catalytic] subunit, ... | Authors: | Moldoveanu, T, Campbell, R.L, Cuerrier, D, Davies, P.L. | Deposit date: | 2004-06-09 | Release date: | 2004-11-02 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal Structures of Calpain-E64 and -Leupeptin Inhibitor Complexes Reveal Mobile Loops Gating the Active Site J.Mol.Biol., 343, 2004
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1TJV
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![BU of 1tjv by Molmil](/molmil-images/mine/1tjv) | Crystal Structure of T161D Duck Delta 2 Crystallin Mutant | Descriptor: | Delta crystallin II | Authors: | Sampaleanu, L.M, Codding, P.W, Lobsanov, Y.D, Tsai, M, Smith, G.D, Horvatin, C, Howell, P.L. | Deposit date: | 2004-06-07 | Release date: | 2004-09-07 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural studies of duck delta2 crystallin mutants provide insight into the role of Thr161 and the 280s loop in catalysis BIOCHEM.J., 384, 2004
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1QFT
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![BU of 1qft by Molmil](/molmil-images/mine/1qft) | HISTAMINE BINDING PROTEIN FROM FEMALE BROWN EAR RHIPICEPHALUS APPENDICULATUS | Descriptor: | HISTAMINE, PROTEIN (FEMALE-SPECIFIC HISTAMINE BINDING PROTEIN 2) | Authors: | Paesen, G.C, Adams, P.L, Harlos, K, Nuttal, P.A, Stuart, D.I. | Deposit date: | 1999-04-14 | Release date: | 2000-04-19 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Tick histamine-binding proteins: isolation, cloning, and three-dimensional structure. Mol.Cell, 3, 1999
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2PTR
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![BU of 2ptr by Molmil](/molmil-images/mine/2ptr) | |
2O8F
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![BU of 2o8f by Molmil](/molmil-images/mine/2o8f) | human MutSalpha (MSH2/MSH6) bound to DNA with a single base T insert | Descriptor: | 5'-D(*CP*GP*CP*TP*AP*GP*CP*GP*TP*GP*CP*GP*GP*CP*CP*GP*TP*C)-3', 5'-D(*GP*AP*CP*GP*GP*CP*CP*GP*CP*CP*GP*CP*TP*AP*GP*CP*G)-3', ADENOSINE-5'-DIPHOSPHATE, ... | Authors: | Warren, J.J, Pohlhaus, T.J, Changela, A, Modrich, P.L, Beese, L.S. | Deposit date: | 2006-12-12 | Release date: | 2007-06-05 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3.25 Å) | Cite: | Structure of the Human MutSalpha DNA Lesion Recognition Complex. Mol.Cell, 26, 2007
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1TEW
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![BU of 1tew by Molmil](/molmil-images/mine/1tew) | |
1NPA
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![BU of 1npa by Molmil](/molmil-images/mine/1npa) | crystal structure of HIV-1 protease-hup | Descriptor: | (3S)-TETRAHYDROFURAN-3-YL (1R,2S)-3-[4-((1R)-2-{[(S)-AMINO(HYDROXY)METHYL]OXY}-2,3-DIHYDRO-1H-INDEN-1-YL)-2-BENZYL-3-OXOPYRROLIDIN-2-YL]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, POL polyprotein | Authors: | Smith III, A.B, Hirschmann, R, Pasternak, A, Yao, W, Sprengeler, P.A, Holloway, M.K, Kuo, L.C, Chen, Z, Darke, P.L, Schleif, W.A. | Deposit date: | 2003-01-17 | Release date: | 2004-01-27 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | An orally bioavailable pyrrolinone inhibitor of HIV-1 protease: computational analysis and X-ray crystal structure of the enzyme complex. J.MED.CHEM., 40, 1997
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1QIQ
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![BU of 1qiq by Molmil](/molmil-images/mine/1qiq) | ISOPENICILLIN N SYNTHASE FROM ASPERGILLUS NIDULANS (ACmC Fe COMPLEX) | Descriptor: | FE (III) ION, ISOPENICILLIN N SYNTHASE, N-[N-[2-AMINO-6-OXO-HEXANOIC ACID-6-YL]CYSTEINYL]-S-METHYLCYSTEINE, ... | Authors: | Rutledge, P.J, Clifton, I.J, Burzlaff, N.I, Roach, P.L, Adlington, R.M, Baldwin, J.E. | Deposit date: | 1999-06-15 | Release date: | 2000-06-16 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | The Reaction Cycle of Isopenicillin N Synthase Observed by X-Ray Diffraction. Nature, 401, 1999
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1QJF
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![BU of 1qjf by Molmil](/molmil-images/mine/1qjf) | ISOPENICILLIN N SYNTHASE FROM ASPERGILLUS NIDULANS (Monocyclic Sulfoxide - Fe COMPLEX) | Descriptor: | 1-[(1S)-CARBOXY-2-(METHYLSULFINYL)ETHYL]-(3R)-[(5S)-5-AMINO-5-CARBOXYPENTANAMIDO]-(4R)-SULFANYLAZETIDIN-2-ONE, FE (II) ION, ISOPENICILLIN N SYNTHASE, ... | Authors: | Rutledge, P.J, Clifton, I.J, Burzlaff, N.I, Roach, P.L, Adlington, R.M, Baldwin, J.E. | Deposit date: | 1999-06-23 | Release date: | 2000-06-29 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | The Reaction Cycle of Isopenicillin N Synthase Observed by X-Ray Diffraction Nature, 401, 1999
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1QJE
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![BU of 1qje by Molmil](/molmil-images/mine/1qje) | Isopenicillin N synthase from Aspergillus nidulans (IP1 - Fe complex) | Descriptor: | FE (II) ION, ISOPENICILLIN N, ISOPENICILLIN N SYNTHASE, ... | Authors: | Burzlaff, N.I, Clifton, I.J, Rutledge, P.J, Roach, P.L, Adlington, R.M, Baldwin, J.E. | Deposit date: | 1999-06-23 | Release date: | 2000-06-29 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | The Reaction Cycle of Isopenicillin N Synthase Observed by X-Ray Diffraction Nature, 401, 1999
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1R5S
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![BU of 1r5s by Molmil](/molmil-images/mine/1r5s) | Connexin 43 Carboxyl Terminal Domain | Descriptor: | Gap junction alpha-1 protein | Authors: | Sorgen, P.L, Duffy, H.S, Mario, D, Sahoo, P, Coombs, W, Delmar, M, Spray, D.C. | Deposit date: | 2003-10-13 | Release date: | 2004-10-26 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Structural changes in the carboxyl terminus of the gap junction protein connexin43 indicates signaling between binding domains for c-Src and zonula occludens-1 J.Biol.Chem., 279, 2004
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