7MF0
 
 | | Co-crystal structure of PERK with inhibitor (R)-2-amino-N-cyclopropyl-5-(4-(2-(3,5-difluorophenyl)-2-hydroxyacetamido)-2-methylphenyl)nicotinamide | | 分子名称: | 2-amino-N-cyclopropyl-5-(4-{[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino}-2-methylphenyl)pyridine-3-carboxamide, Eukaryotic translation initiation factor 2-alpha kinase 3,Eukaryotic translation initiation factor 2-alpha kinase 3 | | 著者 | Wiens, B, Koszelak-Rosenblum, M, Surman, M.D, Zhu, G, Mulvihill, M.J. | | 登録日 | 2021-04-08 | | 公開日 | 2021-05-19 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.809 Å) | | 主引用文献 | Discovery of 2-amino-3-amido-5-aryl-pyridines as highly potent, orally bioavailable, and efficacious PERK kinase inhibitors.
Bioorg.Med.Chem.Lett., 43, 2021
|
|
6DAS
 | | Discovery of Potent 2-Aryl-6,7-Dihydro-5HPyrrolo[ 1,2-a]imidazoles as WDR5 WIN-site Inhibitors Using Fragment-Based Methods and Structure-Based Design | | 分子名称: | N-[(1R)-6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-3-methoxy-4-methylbenzamide, WD repeat-containing protein 5 | | 著者 | Phan, J, Fesik, S.W. | | 登録日 | 2018-05-01 | | 公開日 | 2018-07-18 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Discovery of Potent 2-Aryl-6,7-dihydro-5 H-pyrrolo[1,2- a]imidazoles as WDR5-WIN-Site Inhibitors Using Fragment-Based Methods and Structure-Based Design.
J. Med. Chem., 61, 2018
|
|
4N7Q
 | | Crystal structure of eukaryotic THIC from A. thaliana | | 分子名称: | COBALT (II) ION, HEXANE-1,6-DIOL, Phosphomethylpyrimidine synthase, ... | | 著者 | Coquille, S.C, Roux, C, Mehta, A, Begley, T.P, Fitzpatrick, T.B, Thore, S. | | 登録日 | 2013-10-16 | | 公開日 | 2013-11-13 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | High-resolution crystal structure of the eukaryotic HMP-P synthase (THIC) from Arabidopsis thaliana.
J.Struct.Biol., 184, 2013
|
|
6DAK
 | | Discovery of Potent 2-Aryl-6,7-Dihydro-5HPyrrolo[ 1,2-a]imidazoles as WDR5 WIN-site Inhibitors Using Fragment-Based Methods and Structure-Based Design | | 分子名称: | DIMETHYL SULFOXIDE, N-{[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl}benzamide, WD repeat-containing protein 5 | | 著者 | Phan, J, Fesik, S.W. | | 登録日 | 2018-05-01 | | 公開日 | 2018-09-05 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Discovery of Potent 2-Aryl-6,7-dihydro-5 H-pyrrolo[1,2- a]imidazoles as WDR5-WIN-Site Inhibitors Using Fragment-Based Methods and Structure-Based Design.
J. Med. Chem., 61, 2018
|
|
4Z1K
 | | Carbonic anhydrase inhibitors: Design and synthesis of new heteroaryl-N-carbonylbenzenesulfonamides targeting druggable human carbonic anhydrase isoforms (hCA VII, hCA IX, and hCA XIV) | | 分子名称: | 4-[(6,7-dihydroxy-3,4-dihydroisoquinolin-2(1H)-yl)carbonyl]benzenesulfonamide, Carbonic anhydrase 2, ZINC ION | | 著者 | Brynda, J, Pospisilova, K, Rezacova, P, Pachl, P. | | 登録日 | 2015-03-27 | | 公開日 | 2015-08-26 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | Carbonic anhydrase inhibitors: Design, synthesis and structural characterization of new heteroaryl-N-carbonylbenzenesulfonamides targeting druggable human carbonic anhydrase isoforms.
Eur.J.Med.Chem., 102, 2015
|
|
1DOX
 | | 1H AND 15N SEQUENTIAL ASSIGNMENT, SECONDARY STRUCTURE AND TERTIARY FOLD OF [2FE-2S] FERREDOXIN FROM SYNECHOCYSTIS SP. PCC 6803 | | 分子名称: | FE2/S2 (INORGANIC) CLUSTER, FERREDOXIN [2FE-2S] | | 著者 | Lelong, C, Setif, P, Bottin, H, Andre, F, Neumann, J.M. | | 登録日 | 1995-09-14 | | 公開日 | 1996-03-08 | | 最終更新日 | 2024-04-10 | | 実験手法 | SOLUTION NMR | | 主引用文献 | 1H and 15N NMR sequential assignment, secondary structure, and tertiary fold of [2Fe-2S] ferredoxin from Synechocystis sp. PCC 6803.
Biochemistry, 34, 1995
|
|
1DOY
 | | 1H AND 15N SEQUENTIAL ASSIGNMENT, SECONDARY STRUCTURE AND TERTIARY FOLD OF [2FE-2S] FERREDOXIN FROM SYNECHOCYSTIS SP. PCC 6803 | | 分子名称: | FE2/S2 (INORGANIC) CLUSTER, FERREDOXIN [2FE-2S] | | 著者 | Lelong, C, Setif, P, Bottin, H, Andre, F, Neumann, J.M. | | 登録日 | 1995-09-14 | | 公開日 | 1996-03-08 | | 最終更新日 | 2024-11-20 | | 実験手法 | SOLUTION NMR | | 主引用文献 | 1H and 15N NMR sequential assignment, secondary structure, and tertiary fold of [2Fe-2S] ferredoxin from Synechocystis sp. PCC 6803.
Biochemistry, 34, 1995
|
|
6V5B
 | | Human Drosha and DGCR8 in complex with Primary MicroRNA (MP/RNA complex) - Active state | | 分子名称: | CALCIUM ION, Microprocessor complex subunit DGCR8, Pri-miR-16-2 (78-MER), ... | | 著者 | Partin, A, Zhang, K, Jeong, B, Herrell, E, Li, S, Chiu, W, Nam, Y. | | 登録日 | 2019-12-04 | | 公開日 | 2020-04-08 | | 最終更新日 | 2024-03-06 | | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | | 主引用文献 | Cryo-EM Structures of Human Drosha and DGCR8 in Complex with Primary MicroRNA.
Mol.Cell, 78, 2020
|
|
6AHO
 | |
2BPG
 | | STRUCTURES OF TERNARY COMPLEXES OF RAT DNA POLYMERASE BETA, A DNA TEMPLATE-PRIMER, AND DDCTP | | 分子名称: | 2',3'-DIDEOXYCYTIDINE 5'-TRIPHOSPHATE, DNA (5'-D(*CP*GP*GP*CP*GP*CP*C)-3'), DNA (5'-D(*GP*GP*GP*CP*GP*CP*CP*G)-3'), ... | | 著者 | Pelletier, H, Sawaya, M.R, Kumar, A, Wilson, S.H, Kraut, J. | | 登録日 | 1994-05-19 | | 公開日 | 1994-08-31 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (3.6 Å) | | 主引用文献 | Structures of ternary complexes of rat DNA polymerase beta, a DNA template-primer, and ddCTP.
Science, 264, 1994
|
|
6DAI
 | | Discovery of Potent 2-Aryl-6,7-Dihydro-5HPyrrolo[ 1,2-a]imidazoles as WDR5 WIN-site Inhibitors Using Fragment-Based Methods and Structure-Based Design | | 分子名称: | 6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-1-methylindoline, DIMETHYL SULFOXIDE, WD repeat-containing protein 5 | | 著者 | Phan, J, Fesik, S.W. | | 登録日 | 2018-05-01 | | 公開日 | 2018-09-05 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | | 主引用文献 | Discovery of Potent 2-Aryl-6,7-dihydro-5 H-pyrrolo[1,2- a]imidazoles as WDR5-WIN-Site Inhibitors Using Fragment-Based Methods and Structure-Based Design.
J. Med. Chem., 61, 2018
|
|
6DYX
 | |
3NXY
 | | Preferential Selection of Isomer Binding from Chiral Mixtures: Alernate Binding Modes Observed fro the E- and Z-isomers of a Series of 5-Substituted 2,4-Diaminofuro[2,3-d]pyrimidines as Ternary Complexes with NADPH and Human Dihydrofolate Reductase | | 分子名称: | 5-[(1E,3R)-2-(2-methoxyphenyl)-3-methylpent-1-en-1-yl]furo[2,3-d]pyrimidine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | 著者 | Cody, V. | | 登録日 | 2010-07-14 | | 公開日 | 2010-12-15 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Preferential selection of isomer binding from chiral mixtures: alternate binding modes observed for the E and Z isomers of a series of 5-substituted 2,4-diaminofuro[2,3-d]pyrimidines as ternary complexes with NADPH and human dihydrofolate reductase.
Acta Crystallogr.,Sect.D, 66, 2010
|
|
2BPF
 | | STRUCTURES OF TERNARY COMPLEXES OF RAT DNA POLYMERASE BETA, A DNA TEMPLATE-PRIMER, AND DDCTP | | 分子名称: | 2',3'-DIDEOXYCYTIDINE 5'-TRIPHOSPHATE, DNA (5'-D(*CP*GP*GP*CP*GP*CP*C)-3'), DNA (5'-D(*GP*GP*GP*CP*GP*CP*CP*G)-3'), ... | | 著者 | Pelletier, H, Sawaya, M.R, Kumar, A, Wilson, S.H, Kraut, J. | | 登録日 | 1994-05-19 | | 公開日 | 1994-12-14 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Structures of ternary complexes of rat DNA polymerase beta, a DNA template-primer, and ddCTP.
Science, 264, 1994
|
|
8HHM
 | | Cryo-EM structure of the Cas12m2-crRNA-target DNA ternary complex intermediate state | | 分子名称: | Cas12m2, DNA (36-MER), MAGNESIUM ION, ... | | 著者 | Omura, N.S, Nakagawa, R, Wu, Y.W, Sudfeld, C, Warren, V.R, Hirano, H, Kusakizako, T, Kise, Y, Lebbink, H.G.J, Itoh, Y, Oost, V.D.J, Nureki, O. | | 登録日 | 2022-11-16 | | 公開日 | 2023-04-12 | | 最終更新日 | 2024-05-22 | | 実験手法 | ELECTRON MICROSCOPY (3.08 Å) | | 主引用文献 | Mechanistic and evolutionary insights into a type V-M CRISPR-Cas effector enzyme.
Nat.Struct.Mol.Biol., 30, 2023
|
|
4BZR
 | | Human testis angiotensin converting enzyme in complex with K-26 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, ACETATE ION, ... | | 著者 | Kramer, G.J, Mohd, A, Schwager, S.L.U, Masuyer, G, Acharya, K.R, Sturrock, E.D, Bachmann, B.O. | | 登録日 | 2013-07-29 | | 公開日 | 2014-02-26 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | | 主引用文献 | Interkingdom Pharmacology of Angiotensin-I Converting Enzyme Inhibitor Phosphonates Produced by Actinomycetes
Acs Med.Chem.Lett., 5, 2014
|
|
5MDH
 | | CRYSTAL STRUCTURE OF TERNARY COMPLEX OF PORCINE CYTOPLASMIC MALATE DEHYDROGENASE ALPHA-KETOMALONATE AND TNAD AT 2.4 ANGSTROMS RESOLUTION | | 分子名称: | ALPHA-KETOMALONIC ACID, MALATE DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | 著者 | Chapman, A.D.M, Cortes, A, Dafforn, T.R, Clarke, A.R, Brady, R.L. | | 登録日 | 1998-10-08 | | 公開日 | 1999-05-18 | | 最終更新日 | 2024-12-25 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Structural basis of substrate specificity in malate dehydrogenases: crystal structure of a ternary complex of porcine cytoplasmic malate dehydrogenase, alpha-ketomalonate and tetrahydoNAD.
J.Mol.Biol., 285, 1999
|
|
4TQC
 | | The co-complex structure of the translation initiation factor eIF4E with the inhibitor 4EGI-1 reveals an allosteric mechanism for dissociating eIF4G | | 分子名称: | (2S)-3-(4-amino-3-nitrophenyl)-2-{2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinyl}propanoic acid, 7N-METHYL-8-HYDROGUANOSINE-5'-DIPHOSPHATE, Eukaryotic translation initiation factor 4E | | 著者 | Papadopoulos, E, Jenni, S, Wagner, G. | | 登録日 | 2014-06-10 | | 公開日 | 2014-08-13 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structure of the eukaryotic translation initiation factor eIF4E in complex with 4EGI-1 reveals an allosteric mechanism for dissociating eIF4G.
Proc.Natl.Acad.Sci.USA, 111, 2014
|
|
1ENC
 | | CRYSTAL STRUCTURES OF THE BINARY CA2+ AND PDTP COMPLEXES AND THE TERNARY COMPLEX OF THE ASP 21->GLU MUTANT OF STAPHYLOCOCCAL NUCLEASE. IMPLICATIONS FOR CATALYSIS AND LIGAND BINDING | | 分子名称: | CALCIUM ION, STAPHYLOCOCCAL NUCLEASE, THYMIDINE-3',5'-DIPHOSPHATE | | 著者 | Libson, A, Gittis, A, Lattman, E.E. | | 登録日 | 1994-02-14 | | 公開日 | 1994-05-31 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Crystal structures of the binary Ca2+ and pdTp complexes and the ternary complex of the Asp21-->Glu mutant of staphylococcal nuclease. Implications for catalysis and ligand binding.
Biochemistry, 33, 1994
|
|
4TQB
 | | The co-complex structure of the translation initiation factor eIF4E with the inhibitor 4EGI-1 reveals an allosteric mechanism for dissociating eIF4G | | 分子名称: | (2E)-2-{2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]hydrazinylidene}-3-(2-nitrophenyl)propanoic acid, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 7N-METHYL-8-HYDROGUANOSINE-5'-TRIPHOSPHATE, ... | | 著者 | Papadopoulos, E, Jenni, S, Wagner, G. | | 登録日 | 2014-06-10 | | 公開日 | 2014-08-13 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | | 主引用文献 | Structure of the eukaryotic translation initiation factor eIF4E in complex with 4EGI-1 reveals an allosteric mechanism for dissociating eIF4G.
Proc.Natl.Acad.Sci.USA, 111, 2014
|
|
4TPW
 | | The co-complex structure of the translation initiation factor eIF4E with the inhibitor 4EGI-1 reveals an allosteric mechanism for dissociating eIF4G | | 分子名称: | (2E)-2-{2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene}-3-(2-nitrophenyl)propanoic acid, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE, ... | | 著者 | Papadopoulos, E, Jenni, S, Wagner, G. | | 登録日 | 2014-06-09 | | 公開日 | 2014-08-13 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Structure of the eukaryotic translation initiation factor eIF4E in complex with 4EGI-1 reveals an allosteric mechanism for dissociating eIF4G.
Proc.Natl.Acad.Sci.USA, 111, 2014
|
|
4CPQ
 | | 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 | 2014-02-08 | | 公開日 | 2014-12-17 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.35 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
|
|
4CPT
 | | Macrocyclic Transition-State Mimicking HIV-1 Protease Inhibitors Encompassing a Tertiary Alcohol | | 分子名称: | CHLORIDE ION, PROTEASE, methyl [(2S)-1-(2-{3-[(3R,6S,10Z)-3-hydroxy-4,7-dioxo-6-(propan-2-yl)-5,8-diazabicyclo[11.2.2]heptadeca-1(15),10,13,16-tetraen-3-yl]propyl}-2-[4-(pyridin-3-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 | 2014-02-08 | | 公開日 | 2014-12-17 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.7 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
|
|
1IGW
 | | Crystal Structure of the Isocitrate Lyase from the A219C mutant of Escherichia coli | | 分子名称: | Isocitrate lyase, MAGNESIUM ION, MERCURY (II) ION, ... | | 著者 | Britton, K.L, Abeysinghe, I.S.B, Baker, P.J, Barynin, V, Diehl, P, Langridge, S.J, McFadden, B.A, Sedelnikova, S.E, Stillman, T.J, Weeradechapon, K, Rice, D.W. | | 登録日 | 2001-04-18 | | 公開日 | 2001-09-05 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | The structure and domain organization of Escherichia coli isocitrate lyase.
Acta Crystallogr.,Sect.D, 57, 2001
|
|
4BZS
 | | Human angiotenisn converting enzyme N-domain in complex with K-26 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, ANGIOTENSIN-CONVERTING ENZYME, ... | | 著者 | Kramer, G.J, Mohd, A, Schwager, S.L.U, Masuyer, G, Acharya, K.R, Sturrock, E.D, Bachmann, B.O. | | 登録日 | 2013-07-29 | | 公開日 | 2014-02-26 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Interkingdom Pharmacology of Angiotensin-I Converting Enzyme Inhibitor Phosphonates Produced by Actinomycetes
Acs Med.Chem.Lett., 5, 2014
|
|
