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4CCA
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Structure of human Munc18-2
分子名称: CHLORIDE ION, SYNTAXIN-BINDING PROTEIN 2
著者Hackmann, Y, Graham, S.C, Ehl, S, Hoening, S, Lehmberg, K, Arico, M, Owen, D.J, Griffiths, G.G.
登録日2013-10-21
公開日2013-10-30
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Syntaxin Binding Mechanism and Disease-Causing Mutations in Munc18-2
Proc.Natl.Acad.Sci.USA, 110, 2013
4CAS
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Serial femtosecond crystallography structure of a photosynthetic reaction center
分子名称: (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, ...
著者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.
登録日2013-10-09
公開日2013-12-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Structure of a photosynthetic reaction centre determined by serial femtosecond crystallography.
Nat Commun, 4, 2013
5OEY
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BU of 5oey by Molmil
Crystal structure of Leishmania major fructose-1,6-bisphosphatase in holo form.
分子名称: CITRIC ACID, FBP protein, MANGANESE (II) ION, ...
著者Yuan, M, Vasquez-Valdivieso, M.G, McNae, I.W, Michels, P.A.M, Fothergill-Gilmore, L.A, Walkinshaw, M.D.
登録日2017-07-10
公開日2017-09-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structures of Leishmania Fructose-1,6-Bisphosphatase Reveal Species-Specific Differences in the Mechanism of Allosteric Inhibition.
J. Mol. Biol., 429, 2017
4IBV
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Human p53 core domain with hot spot mutation R273C and second-site suppressor mutation S240R in sequence-specific complex with DNA
分子名称: 1,2-ETHANEDIOL, Cellular tumor antigen p53, DNA (5'-D(*CP*GP*GP*GP*CP*AP*TP*GP*CP*CP*CP*G)-3'), ...
著者Eldar, A, Rozenberg, H, Diskin-Posner, Y, Shakked, Z.
登録日2012-12-09
公開日2013-08-14
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献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
4ID7
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BU of 4id7 by Molmil
ACK1 kinase in complex with the inhibitor cis-3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclobutanol
分子名称: Activated CDC42 kinase 1, SULFATE ION, cis-3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclobutanol
著者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.
登録日2012-12-11
公開日2013-01-30
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Discovery of potent, selective and orally bioavailable imidazo[1,5-a]pyrazine derived ACK1 inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
5OEZ
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Crystal structure of Leishmania major fructose-1,6-bisphosphatase in apo form.
分子名称: FBP protein
著者Yuan, M, Vasquez-Valdivieso, M.G, McNae, I.W, Michels, P.A.M, Fothergill-Gilmore, L.A, Walkinshaw, M.D.
登録日2017-07-10
公開日2017-09-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Structures of Leishmania Fructose-1,6-Bisphosphatase Reveal Species-Specific Differences in the Mechanism of Allosteric Inhibition.
J. Mol. Biol., 429, 2017
4FH1
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BU of 4fh1 by Molmil
S. cerevisiae Ubc13-N79A
分子名称: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Ubiquitin-conjugating enzyme E2 13
著者Berndsen, C.E, Wolberger, C, Wiener, R.
登録日2012-06-05
公開日2013-01-09
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献A conserved asparagine has a structural role in ubiquitin-conjugating enzymes.
Nat.Chem.Biol., 9, 2013
4FIP
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BU of 4fip by Molmil
Structure of the SAGA Ubp8(S144N)/Sgf11(1-72, Delta-ZnF)/Sus1/Sgf73 DUB module
分子名称: Protein SUS1, SAGA-associated factor 11, SAGA-associated factor 73, ...
著者Samara, N.L, Ringel, A.E, Wolberger, C.
登録日2012-06-10
公開日2012-07-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.686 Å)
主引用文献A Role for Intersubunit Interactions in Maintaining SAGA Deubiquitinating Module Structure and Activity.
Structure, 20, 2012
4FJI
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RB69 DNA polymerase ternary complex with dcTP/dC
分子名称: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA polymerase, ...
著者Xia, S, Wang, J, Konigsberg, W.H.
登録日2012-06-11
公開日2012-12-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献DNA mismatch synthesis complexes provide insights into base selectivity of a B family DNA polymerase.
J.Am.Chem.Soc., 135, 2013
4F1N
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BU of 4f1n by Molmil
Crystal structure of Kluyveromyces polysporus Argonaute with a guide RNA
分子名称: KpAGO, RNA 5'-R(P*UP*AP*AP*AP*AP*AP*AP*AP*A)-3'
著者Nakanishi, K, Weinberg, D.E, Bartel, D.P, Patel, D.J.
登録日2012-05-07
公開日2012-06-13
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.187 Å)
主引用文献Structure of yeast Argonaute with guide RNA.
Nature, 486, 2012
4IBY
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Human p53 core domain with hot spot mutation R273H and second-site suppressor mutation S240R
分子名称: 1,2-ETHANEDIOL, Cellular tumor antigen p53, ZINC ION
著者Eldar, A, Rozenberg, H, Diskin-Posner, Y, Shakked, Z.
登録日2012-12-09
公開日2013-08-14
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献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
4FB7
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BU of 4fb7 by Molmil
The apo form of idole-3-glycerol phosphate synthase (TrpC) form Mycobacterium tuberculosis
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Indole-3-glycerol phosphate synthase
著者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)
登録日2012-05-22
公開日2012-06-13
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献The apo form of idole-3-glycerol phosphate synthase (TrpC) form Mycobacterium tuberculosis
To be Published
4FJ9
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BU of 4fj9 by Molmil
RB69 DNA polymerase ternary complex with dTTP/dT
分子名称: CALCIUM ION, DNA polymerase, DNA primer, ...
著者Xia, S, Wang, J, Konigsberg, W.H.
登録日2012-06-11
公開日2012-12-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献DNA mismatch synthesis complexes provide insights into base selectivity of a B family DNA polymerase.
J.Am.Chem.Soc., 135, 2013
4FJX
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BU of 4fjx by Molmil
RB69 DNA polymerase ternary complex with dATP/dG
分子名称: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DNA polymerase, ...
著者Xia, S, Wang, J, Konigsberg, W.H.
登録日2012-06-12
公開日2012-12-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献DNA mismatch synthesis complexes provide insights into base selectivity of a B family DNA polymerase.
J.Am.Chem.Soc., 135, 2013
4D51
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BU of 4d51 by Molmil
Crystal structure of CymA from Klebsiella oxytoca
分子名称: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, CYMA
著者van den Berg, B, Bhamidimarri, S.P, Kleinekathoefer, U, Winterhalter, M.
登録日2014-11-01
公開日2015-06-03
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Outer-membrane translocation of bulky small molecules by passive diffusion.
Proc. Natl. Acad. Sci. U.S.A., 112, 2015
4D06
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BU of 4d06 by Molmil
Bacterial chalcone isomerase complexed with naringenin
分子名称: (2E)-3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)prop-2-en-1-one, CHALCONE ISOMERASE, CHLORIDE ION, ...
著者Thomsen, M, Palm, G.J, Hinrichs, W.
登録日2014-04-24
公開日2015-04-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure and Catalytic Mechanism of the Evolutionarily Unique Bacterial Chalcone Isomerase
Acta Crystallogr.,Sect.D, 71, 2015
4JVE
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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
分子名称: (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
著者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.
登録日2013-03-25
公開日2013-05-01
最終更新日2013-06-05
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Rational Design and Binding Mode Duality of MDM2-p53 Inhibitors.
J.Med.Chem., 56, 2013
5OWG
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BU of 5owg by Molmil
Structure of PcyX_EBK42635
分子名称: PcyX_EBK42635
著者Sommerkamp, J.A, Ledermann, B, Frankenberg-Dinkel, N, Hofmann, E.
登録日2017-09-01
公開日2017-11-29
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Evolution and molecular mechanism of four-electron reducing ferredoxin-dependent bilin reductases from oceanic phages.
FEBS J., 285, 2018
4CPX
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Macrocyclic Transition-State Mimicking HIV-1 Protease Inhibitors Encompassing a Tertiary Alcohol
分子名称: 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
著者DeRosa, M, Unge, J, Motwani, H.V, Rosenquist, A, Vrang, L, Wallberg, H, Larhed, M.
登録日2014-02-08
公開日2014-12-17
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Synthesis of P1'-functionalized macrocyclic transition-state mimicking HIV-1 protease inhibitors encompassing a tertiary alcohol.
J. Med. Chem., 57, 2014
4CP7
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Macrocyclic Transition-State Mimicking HIV-1 Protease Inhibitors Encompassing a Tertiary Alcohol
分子名称: 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
著者deRosa, M, Unge, J, Motwani, H.V, Rosenquist, A, Vrang, L, Wallberg, H, Larhed, M.
登録日2014-01-31
公開日2014-12-10
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Synthesis of P1'-Functionalized Macrocyclic Transition-State Mimicking HIV-1 Protease Inhibitors Encompassing a Tertiary Alcohol.
J.Med.Chem., 57, 2014
4CPR
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BU of 4cpr by Molmil
Macrocyclic Transition-State Mimicking HIV-1 Protease Inhibitors Encompassing a Tertiary Alcohol
分子名称: 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
著者DeRosa, M, Unge, J, Motwani, H.V, Rosenquist, A, Vrang, L, Wallberg, H, Larhed, M.
登録日2014-02-08
公開日2014-12-17
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Synthesis of P1'-Functionalized Macrocyclic Transition-State Mimicking HIV-1 Protease Inhibitors Encompassing a Tertiary Alcohol.
J.Med.Chem., 57, 2014
4CPU
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BU of 4cpu by Molmil
Macrocyclic Transition-State Mimicking HIV-1 Protease Inhibitors Encompassing a Tertiary Alcohol
分子名称: 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
著者DeRosa, M, Unge, J, Motwani, H.V, Rosenquist, A, Vrang, L, Wallberg, H, Larhed, M.
登録日2014-02-08
公開日2014-12-17
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Synthesis of P1'-Functionalized Macrocyclic Transition-State Mimicking HIV-1 Protease Inhibitors Encompassing a Tertiary Alcohol.
J.Med.Chem., 57, 2014
4KEE
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BU of 4kee by Molmil
Crystal Structure of Cofilin Mutant (cof1-158p)
分子名称: Cofilin
著者Kish-Trier, E, Haarer, B, Cingolani, G, Amberg, D.C.
登録日2013-04-25
公開日2013-05-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.448 Å)
主引用文献Crystal Structure of Cofilin Mutant (cof1-158p)
To be Published
4FJG
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RB69 DNA polymerase ternary complex with dATP/dC
分子名称: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DNA polymerase, ...
著者Xia, S, Wang, J, Konigsberg, W.H.
登録日2012-06-11
公開日2012-12-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献DNA mismatch synthesis complexes provide insights into base selectivity of a B family DNA polymerase.
J.Am.Chem.Soc., 135, 2013
4FK0
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BU of 4fk0 by Molmil
RB69 DNA polymerase ternary complex with dCTP/dG
分子名称: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA polymerase, ...
著者Xia, S, Wang, J, Konigsberg, W.H.
登録日2012-06-12
公開日2012-12-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献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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