4CCA
 
 | | Structure of human Munc18-2 | | Descriptor: | CHLORIDE ION, SYNTAXIN-BINDING PROTEIN 2 | | Authors: | Hackmann, Y, Graham, S.C, Ehl, S, Hoening, S, Lehmberg, K, Arico, M, Owen, D.J, Griffiths, G.G. | | Deposit date: | 2013-10-21 | | Release date: | 2013-10-30 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Syntaxin Binding Mechanism and Disease-Causing Mutations in Munc18-2
Proc.Natl.Acad.Sci.USA, 110, 2013
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4CAS
 | | Serial femtosecond crystallography structure of a photosynthetic reaction center | | Descriptor: | (2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-OCTAMETHYLDOTRIACONTA-2,6,10,14,18,22,26,30-OCTAENYL TRIHYDROGEN DIPHOSPHATE, 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL A, ... | | Authors: | Johansson, L.C, Arnlund, D, Katona, G, White, T.A, Barty, A, DePonte, D.P, Shoeman, R.L, Wickstrand, C, Sharma, A, Williams, G.J, Aquila, A, Bogan, M.J, Caleman, C, Davidsson, J, Doak, R.B, Frank, M, Fromme, R, Galli, L, Grotjohann, I, Hunter, M.S, Kassemeyer, S, Kirian, R.A, Kupitz, C, Liang, M, Lomb, L, Malmerberg, E, Martin, A.V, Messerschmidt, M, Nass, K, Redecke, L, Seibert, M.M, Sjohamn, J, Steinbrener, J, Stellato, F, Wang, D, Wahlgren, W.Y, Weierstall, U, Westenhoff, S, Zatsepin, N.A, Boutet, S, Spence, J.C.H, Schlichting, I, Chapman, H.N, Fromme, P, Neutze, R. | | Deposit date: | 2013-10-09 | | Release date: | 2013-12-25 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Structure of a photosynthetic reaction centre determined by serial femtosecond crystallography.
Nat Commun, 4, 2013
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5OEY
 | | Crystal structure of Leishmania major fructose-1,6-bisphosphatase in holo form. | | Descriptor: | CITRIC ACID, FBP protein, MANGANESE (II) ION, ... | | Authors: | Yuan, M, Vasquez-Valdivieso, M.G, McNae, I.W, Michels, P.A.M, Fothergill-Gilmore, L.A, Walkinshaw, M.D. | | Deposit date: | 2017-07-10 | | Release date: | 2017-09-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structures of Leishmania Fructose-1,6-Bisphosphatase Reveal Species-Specific Differences in the Mechanism of Allosteric Inhibition.
J. Mol. Biol., 429, 2017
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4IBV
 | | Human p53 core domain with hot spot mutation R273C and second-site suppressor mutation S240R in sequence-specific complex with DNA | | Descriptor: | 1,2-ETHANEDIOL, Cellular tumor antigen p53, DNA (5'-D(*CP*GP*GP*GP*CP*AP*TP*GP*CP*CP*CP*G)-3'), ... | | Authors: | Eldar, A, Rozenberg, H, Diskin-Posner, Y, Shakked, Z. | | Deposit date: | 2012-12-09 | | Release date: | 2013-08-14 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural studies of p53 inactivation by DNA-contact mutations and its rescue by suppressor mutations via alternative protein-DNA interactions.
Nucleic Acids Res., 41, 2013
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4ID7
 | | ACK1 kinase in complex with the inhibitor cis-3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclobutanol | | Descriptor: | Activated CDC42 kinase 1, SULFATE ION, cis-3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclobutanol | | Authors: | Jin, M, Wang, J, Kleinberg, A, Kadalbajoo, M, Siu, K, Cooke, A, Bittner, M, Yao, Y, Thelemann, A, Ji, Q, Bhagwat, S, Crew, A.P, Pachter, J, Epstein, D, Mulvihill, M.J. | | Deposit date: | 2012-12-11 | | Release date: | 2013-01-30 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Discovery of potent, selective and orally bioavailable imidazo[1,5-a]pyrazine derived ACK1 inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
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5OEZ
 | | Crystal structure of Leishmania major fructose-1,6-bisphosphatase in apo form. | | Descriptor: | FBP protein | | Authors: | Yuan, M, Vasquez-Valdivieso, M.G, McNae, I.W, Michels, P.A.M, Fothergill-Gilmore, L.A, Walkinshaw, M.D. | | Deposit date: | 2017-07-10 | | Release date: | 2017-09-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | Structures of Leishmania Fructose-1,6-Bisphosphatase Reveal Species-Specific Differences in the Mechanism of Allosteric Inhibition.
J. Mol. Biol., 429, 2017
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4FH1
 | | S. cerevisiae Ubc13-N79A | | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Ubiquitin-conjugating enzyme E2 13 | | Authors: | Berndsen, C.E, Wolberger, C, Wiener, R. | | Deposit date: | 2012-06-05 | | Release date: | 2013-01-09 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | A conserved asparagine has a structural role in ubiquitin-conjugating enzymes.
Nat.Chem.Biol., 9, 2013
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4FIP
 | | Structure of the SAGA Ubp8(S144N)/Sgf11(1-72, Delta-ZnF)/Sus1/Sgf73 DUB module | | Descriptor: | Protein SUS1, SAGA-associated factor 11, SAGA-associated factor 73, ... | | Authors: | Samara, N.L, Ringel, A.E, Wolberger, C. | | Deposit date: | 2012-06-10 | | Release date: | 2012-07-25 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.686 Å) | | Cite: | A Role for Intersubunit Interactions in Maintaining SAGA Deubiquitinating Module Structure and Activity.
Structure, 20, 2012
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4FJI
 | | RB69 DNA polymerase ternary complex with dcTP/dC | | Descriptor: | 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA polymerase, ... | | Authors: | Xia, S, Wang, J, Konigsberg, W.H. | | Deposit date: | 2012-06-11 | | Release date: | 2012-12-19 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | DNA mismatch synthesis complexes provide insights into base selectivity of a B family DNA polymerase.
J.Am.Chem.Soc., 135, 2013
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4F1N
 | | Crystal structure of Kluyveromyces polysporus Argonaute with a guide RNA | | Descriptor: | KpAGO, RNA 5'-R(P*UP*AP*AP*AP*AP*AP*AP*AP*A)-3' | | Authors: | Nakanishi, K, Weinberg, D.E, Bartel, D.P, Patel, D.J. | | Deposit date: | 2012-05-07 | | Release date: | 2012-06-13 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.187 Å) | | Cite: | Structure of yeast Argonaute with guide RNA.
Nature, 486, 2012
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4IBY
 | | Human p53 core domain with hot spot mutation R273H and second-site suppressor mutation S240R | | Descriptor: | 1,2-ETHANEDIOL, Cellular tumor antigen p53, ZINC ION | | Authors: | Eldar, A, Rozenberg, H, Diskin-Posner, Y, Shakked, Z. | | Deposit date: | 2012-12-09 | | Release date: | 2013-08-14 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Structural studies of p53 inactivation by DNA-contact mutations and its rescue by suppressor mutations via alternative protein-DNA interactions.
Nucleic Acids Res., 41, 2013
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4FB7
 | | The apo form of idole-3-glycerol phosphate synthase (TrpC) form Mycobacterium tuberculosis | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Indole-3-glycerol phosphate synthase | | Authors: | Michalska, K, Chhor, G, Jedrzejczak, R, Terwilliger, T.C, Rubin, E.J, Guinn, K, Baker, D, Ioerger, T.R, Sacchettini, J.C, Joachimiak, A, Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors (MTBI), Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2012-05-22 | | Release date: | 2012-06-13 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | The apo form of idole-3-glycerol phosphate synthase (TrpC) form Mycobacterium tuberculosis
To be Published
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4FJ9
 | | RB69 DNA polymerase ternary complex with dTTP/dT | | Descriptor: | CALCIUM ION, DNA polymerase, DNA primer, ... | | Authors: | Xia, S, Wang, J, Konigsberg, W.H. | | Deposit date: | 2012-06-11 | | Release date: | 2012-12-19 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | DNA mismatch synthesis complexes provide insights into base selectivity of a B family DNA polymerase.
J.Am.Chem.Soc., 135, 2013
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4FJX
 | | RB69 DNA polymerase ternary complex with dATP/dG | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DNA polymerase, ... | | Authors: | Xia, S, Wang, J, Konigsberg, W.H. | | Deposit date: | 2012-06-12 | | Release date: | 2012-12-19 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | DNA mismatch synthesis complexes provide insights into base selectivity of a B family DNA polymerase.
J.Am.Chem.Soc., 135, 2013
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4D51
 | | Crystal structure of CymA from Klebsiella oxytoca | | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, CYMA | | Authors: | van den Berg, B, Bhamidimarri, S.P, Kleinekathoefer, U, Winterhalter, M. | | Deposit date: | 2014-11-01 | | Release date: | 2015-06-03 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Outer-membrane translocation of bulky small molecules by passive diffusion.
Proc. Natl. Acad. Sci. U.S.A., 112, 2015
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4D06
 | | Bacterial chalcone isomerase complexed with naringenin | | Descriptor: | (2E)-3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)prop-2-en-1-one, CHALCONE ISOMERASE, CHLORIDE ION, ... | | Authors: | Thomsen, M, Palm, G.J, Hinrichs, W. | | Deposit date: | 2014-04-24 | | Release date: | 2015-04-08 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure and Catalytic Mechanism of the Evolutionarily Unique Bacterial Chalcone Isomerase
Acta Crystallogr.,Sect.D, 71, 2015
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4JVE
 | | Co-crystal structure of MDM2 with inhibitor (2R,3E)-2-[(2S,3R,6S)-2,3-bis(4-chlorophenyl)-6-(4-fluorobenzyl)-5-oxomorpholin-4-yl]pent-3-enoic acid | | Descriptor: | (2R,3E)-2-[(2S,3R,6S)-2,3-bis(4-chlorophenyl)-6-(4-fluorobenzyl)-5-oxomorpholin-4-yl]pent-3-enoic acid, E3 ubiquitin-protein ligase Mdm2 | | Authors: | Huang, X, Gonzalez-Lopez de Turiso, F, Sun, D, Yosup, R, Bartberger, M.D, Beck, H.P, Cannon, J, Shaffer, P, Oliner, J.D, Olson, S.H, Medina, J.C. | | Deposit date: | 2013-03-25 | | Release date: | 2013-05-01 | | Last modified: | 2013-06-05 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Rational Design and Binding Mode Duality of MDM2-p53 Inhibitors.
J.Med.Chem., 56, 2013
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5OWG
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4CPX
 | | Macrocyclic Transition-State Mimicking HIV-1 Protease Inhibitors Encompassing a Tertiary Alcohol | | Descriptor: | CHLORIDE ION, PROTEASE, methyl ~{N}-[(2~{S})-3,3-dimethyl-1-[2-[3-[(3~{R},6~{S},10~{Z})-3-oxidanyl-4,7-bis(oxidanylidene)-6-propan-2-yl-5,8-diazabicyclo[11.2.2]heptadeca-1(16),10,13(17),14-tetraen-3-yl]propyl]-2-[(4-thiophen-2-ylphenyl)methyl]hydrazinyl]-1-oxidanylidene-butan-2-yl]carbamate | | Authors: | DeRosa, M, Unge, J, Motwani, H.V, Rosenquist, A, Vrang, L, Wallberg, H, Larhed, M. | | Deposit date: | 2014-02-08 | | Release date: | 2014-12-17 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Synthesis of P1'-functionalized macrocyclic transition-state mimicking HIV-1 protease inhibitors encompassing a tertiary alcohol.
J. Med. Chem., 57, 2014
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4CP7
 | | Macrocyclic Transition-State Mimicking HIV-1 Protease Inhibitors Encompassing a Tertiary Alcohol | | Descriptor: | CHLORIDE ION, PROTEASE, methyl [(2S)-1-(2-{(4R)-4-hydroxy-5-{[(2S)-3-methyl-1-oxo-1-(prop-2-en-1-ylamino)butan-2-yl]amino}-5-oxo-4-[4-(prop-2-en-1-yl)benzyl]pentyl}-2-[4-(pyridin-4-yl)benzyl]hydrazinyl)-3,3-dimethyl-1-oxobutan-2-yl]carbamate | | Authors: | deRosa, M, Unge, J, Motwani, H.V, Rosenquist, A, Vrang, L, Wallberg, H, Larhed, M. | | Deposit date: | 2014-01-31 | | Release date: | 2014-12-10 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Synthesis of P1'-Functionalized Macrocyclic Transition-State Mimicking HIV-1 Protease Inhibitors Encompassing a Tertiary Alcohol.
J.Med.Chem., 57, 2014
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4CPR
 | | Macrocyclic Transition-State Mimicking HIV-1 Protease Inhibitors Encompassing a Tertiary Alcohol | | Descriptor: | CHLORIDE ION, PROTEASE, methyl ~{N}-[(2~{S})-3,3-dimethyl-1-[2-[(4~{R})-5-[[(2~{S})-3-methyl-1-oxidanylidene-1-(prop-2-enylamino)butan-2-yl]amino]-4-oxidanyl-5-oxidanylidene-4-[(4-prop-2-enylphenyl)methyl]pentyl]-2-[(4-thiophen-2-ylphenyl)methyl]hydrazinyl]-1-oxidanylidene-butan-2-yl]carbamate | | Authors: | DeRosa, M, Unge, J, Motwani, H.V, Rosenquist, A, Vrang, L, Wallberg, H, Larhed, M. | | Deposit date: | 2014-02-08 | | Release date: | 2014-12-17 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Synthesis of P1'-Functionalized Macrocyclic Transition-State Mimicking HIV-1 Protease Inhibitors Encompassing a Tertiary Alcohol.
J.Med.Chem., 57, 2014
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4CPU
 | | Macrocyclic Transition-State Mimicking HIV-1 Protease Inhibitors Encompassing a Tertiary Alcohol | | Descriptor: | CHLORIDE ION, PROTEASE, methyl N-[(2S)-1-[2-[[4-[(3S)-3,4-dihydrothiophen-3-yl]phenyl]methyl]-2-[3-[(3Z,8S,11R)-11-oxidanyl-7,10-bis(oxidanylidene)-8-propan-2-yl-6,9-diazabicyclo[11.2.2]heptadeca-1(16),3,13(17),14-tetraen-11-yl]propyl]hydrazinyl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate | | Authors: | DeRosa, M, Unge, J, Motwani, H.V, Rosenquist, A, Vrang, L, Wallberg, H, Larhed, M. | | Deposit date: | 2014-02-08 | | Release date: | 2014-12-17 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Synthesis of P1'-Functionalized Macrocyclic Transition-State Mimicking HIV-1 Protease Inhibitors Encompassing a Tertiary Alcohol.
J.Med.Chem., 57, 2014
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4KEE
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4FJG
 | | RB69 DNA polymerase ternary complex with dATP/dC | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DNA polymerase, ... | | Authors: | Xia, S, Wang, J, Konigsberg, W.H. | | Deposit date: | 2012-06-11 | | Release date: | 2012-12-19 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | DNA mismatch synthesis complexes provide insights into base selectivity of a B family DNA polymerase.
J.Am.Chem.Soc., 135, 2013
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4FK0
 | | RB69 DNA polymerase ternary complex with dCTP/dG | | Descriptor: | 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA polymerase, ... | | Authors: | Xia, S, Wang, J, Konigsberg, W.H. | | Deposit date: | 2012-06-12 | | Release date: | 2012-12-19 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | DNA mismatch synthesis complexes provide insights into base selectivity of a B family DNA polymerase.
J.Am.Chem.Soc., 135, 2013
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