4B6P
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![BU of 4b6p by Molmil](/molmil-images/mine/4b6p) | Structure of Mycobacterium tuberculosis Type II Dehydroquinase inhibited by (2S)-2-Perfluorobenzyl-3-dehydroquinic acid | 分子名称: | (1R,2S,4S,5R)-2-(2,3,4,5,6-pentafluorophenyl)methyl-1,4,5-trihydroxy-3-oxocyclohexane-1-carboxylic acid, 3-DEHYDROQUINATE DEHYDRATASE, SULFATE ION | 著者 | Otero, J.M, Llamas-Saiz, A.L, Lence, E, Tizon, L, Peon, A, Prazeres, V.F.V, Lamb, H, Hawkins, A.R, Gonzalez-Bello, C, van Raaij, M.J. | 登録日 | 2012-08-14 | 公開日 | 2012-12-19 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Mechanistic basis of the inhibition of type II dehydroquinase by (2S)- and (2R)-2-benzyl-3-dehydroquinic acids. ACS Chem. Biol., 8, 2013
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4B79
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![BU of 4b79 by Molmil](/molmil-images/mine/4b79) | THE AEROPATH PROJECT AND PSEUDOMONAS AERUGINOSA HIGH-THROUGHPUT CRYSTALLOGRAPHIC STUDIES FOR ASSESSMENT OF POTENTIAL TARGETS IN EARLY STAGE DRUG DISCOVERY. | 分子名称: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PROBABLE SHORT-CHAIN DEHYDROGENASE | 著者 | Moynie, L, McMahon, S.A, Alphey, M.S, Liu, H, Duthie, F, Naismith, J.H. | 登録日 | 2012-08-16 | 公開日 | 2012-08-29 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | 主引用文献 | The Aeropath Project Targeting Pseudomonas Aeruginosa: Crystallographic Studies for Assessment of Potential Targets in Early-Stage Drug Discovery Acta Crystallogr.,Sect.F, 69, 2013
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4B2X
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![BU of 4b2x by Molmil](/molmil-images/mine/4b2x) | Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-amino-1-butyl-5-(cyclopentylamino)pyrimidine-2,4(1H,3H)-dione, CHLORIDE ION, ... | 著者 | Alphey, M.S, Pirrie, L, Torrie, L.S, Gardiner, M, Sarkar, A, Brenk, R, Westwood, N.J, Gray, D, Naismith, J.H. | 登録日 | 2012-07-18 | 公開日 | 2012-10-31 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Allosteric competitive inhibitors of the glucose-1-phosphate thymidylyltransferase (RmlA) from Pseudomonas aeruginosa. ACS Chem. Biol., 8, 2013
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4AUQ
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![BU of 4auq by Molmil](/molmil-images/mine/4auq) | Structure of BIRC7-UbcH5b-Ub complex. | 分子名称: | BACULOVIRAL IAP REPEAT-CONTAINING PROTEIN 7, POLYUBIQUITIN-C, UBIQUITIN-CONJUGATING ENZYME E2 D2, ... | 著者 | Dou, H, Buetow, L, Sibbet, G.J, Cameron, K, Huang, D.T. | 登録日 | 2012-05-21 | 公開日 | 2012-08-15 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.176 Å) | 主引用文献 | Birc7-E2 Ubiquitin Conjugate Structure Reveals the Mechanism of Ubiquitin Transfer by a Ring Dimer. Nat.Struct.Mol.Biol., 19, 2012
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7XCT
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![BU of 7xct by Molmil](/molmil-images/mine/7xct) | Cryo-EM structure of Dot1L and H2BK34ub-H3K79Nle nucleosome 2:1 complex | 分子名称: | DNA (145-MER), Histone H2A, Histone H2B type 1-K, ... | 著者 | Ai, H.S, Liu, A.J, Lou, Z.Y, Liu, L. | 登録日 | 2022-03-25 | 公開日 | 2022-04-20 | 最終更新日 | 2022-09-07 | 実験手法 | ELECTRON MICROSCOPY (2.72 Å) | 主引用文献 | H2B Lys34 Ubiquitination Induces Nucleosome Distortion to Stimulate Dot1L Activity. Nat.Chem.Biol., 18, 2022
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7XD0
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![BU of 7xd0 by Molmil](/molmil-images/mine/7xd0) | cryo-EM structure of H2BK34ub nucleosome | 分子名称: | DNA (146-MER), Histone H2A, Histone H2B type 1-K, ... | 著者 | Ai, H.S, Liu, A.J, Lou, Z.Y, Liu, L. | 登録日 | 2022-03-26 | 公開日 | 2022-04-20 | 最終更新日 | 2024-06-26 | 実験手法 | ELECTRON MICROSCOPY (3.48 Å) | 主引用文献 | H2B Lys34 Ubiquitination Induces Nucleosome Distortion to Stimulate Dot1L Activity. Nat.Chem.Biol., 18, 2022
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7XD1
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![BU of 7xd1 by Molmil](/molmil-images/mine/7xd1) | cryo-EM structure of unmodified nucleosome | 分子名称: | DNA (147-MER), Histone H2A type 1-B/E, Histone H2B type 1-K, ... | 著者 | Ai, H.S, Liu, A.J, Lou, Z.Y, Liu, L. | 登録日 | 2022-03-26 | 公開日 | 2022-04-20 | 最終更新日 | 2024-06-26 | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | 主引用文献 | H2B Lys34 Ubiquitination Induces Nucleosome Distortion to Stimulate Dot1L Activity. Nat.Chem.Biol., 18, 2022
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7XCR
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![BU of 7xcr by Molmil](/molmil-images/mine/7xcr) | Cryo-EM structure of Dot1L and H2BK34ub-H3K79Nle nucleosome 1:1 complex | 分子名称: | DNA (146-MER), Histone H2A, Histone H2B type 1-K, ... | 著者 | Ai, H.S, Liu, A.J, Lou, Z.Y, Liu, L. | 登録日 | 2022-03-25 | 公開日 | 2022-04-20 | 最終更新日 | 2022-09-07 | 実験手法 | ELECTRON MICROSCOPY (2.57 Å) | 主引用文献 | H2B Lys34 Ubiquitination Induces Nucleosome Distortion to Stimulate Dot1L Activity. Nat.Chem.Biol., 18, 2022
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4AVD
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![BU of 4avd by Molmil](/molmil-images/mine/4avd) | C.lacteus nerve Hb in complex with CO | 分子名称: | ACETATE ION, CARBON MONOXIDE, GLYCEROL, ... | 著者 | Germani, F, Pesce, A, Venturini, A, Moens, L, Bolognesi, M, Dewilde, S, Nardini, M. | 登録日 | 2012-05-25 | 公開日 | 2013-04-17 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | High Resolution Crystal Structures of the Cerebratulus Lacteus Mini-Hb in the Unligated and Carbomonoxy States. Int.J.Mol.Sci., 13, 2012
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4AVX
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![BU of 4avx by Molmil](/molmil-images/mine/4avx) | Hepatocyte Growth Factor-Regulated Tyrosine Kinase Substrate (Hgs-Hrs) bound to an IP2 compound at 1.68 A Resolution | 分子名称: | 1,2-ETHANEDIOL, HEPATOCYTE GROWTH FACTOR-REGULATED TYROSINE KINASE SUBSTRATE, PHOSPHORIC ACID MONO-(2,3,4,6-TETRAHYDROXY-5-PHOSPHONOOXY-CYCLOHEXYL) ESTER, ... | 著者 | Williams, E, Canning, P, Shrestha, L, Krojer, T, Vollmar, M, Slowey, A, Conway, S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Bullock, A. | 登録日 | 2012-05-30 | 公開日 | 2012-06-13 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | 主引用文献 | Crystal Structure of the Tandem Vhs and Fyve Domains of Hepatocyte Growth Factor-Regulated Tyrosine Kinase Substrate (Hgs-Hrs) Bound to an Ip2 Compound at 1.68 A Resolution To be Published
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4BHU
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![BU of 4bhu by Molmil](/molmil-images/mine/4bhu) | Crystal structure of BslA - A bacterial hydrophobin | 分子名称: | CHLORIDE ION, GLYCEROL, UNCHARACTERIZED PROTEIN YUAB | 著者 | Rao, F.V, Hobley, L, Ostrowski, A, Bromley, K.M, Porter, M, Prescott, A.R, Swedlow, J.R, MacPhee, C.E, van Aalten, D.M.F, Stanley-Wall, N.R. | 登録日 | 2013-04-08 | 公開日 | 2013-08-14 | 最終更新日 | 2013-08-28 | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | 主引用文献 | Bsla is a Self-Assembling Bacterial Hydrophobin that Coats the Bacillus Subtilis Biofilm. Proc.Natl.Acad.Sci.USA, 110, 2013
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4BD1
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![BU of 4bd1 by Molmil](/molmil-images/mine/4bd1) | Neutron structure of a perdeuterated Toho-1 R274N R276N double mutant Beta-lactamase in complex with a fully deuterated boronic acid (BZB) | 分子名称: | BENZO[B]THIOPHENE-2-BORONIC ACID, TOHO-1 BETA-LACTAMASE | 著者 | Tomanicek, S.J, Weiss, K.L, Standaert, R.F, Ostermann, A, Schrader, T.E, Ng, J.D, Coates, L. | 登録日 | 2012-10-04 | 公開日 | 2013-01-16 | 最終更新日 | 2017-03-22 | 実験手法 | NEUTRON DIFFRACTION (2.002 Å) | 主引用文献 | Neutron and X-Ray Crystal Structures of a Perdeuterated Enzyme Inhibitor Complex Reveal the Catalytic Proton Network of the Toho-1 Beta-Lactamase for the Acylation Reaction. J.Biol.Chem., 288, 2013
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4BDT
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![BU of 4bdt by Molmil](/molmil-images/mine/4bdt) | Human acetylcholinesterase in complex with huprine W and fasciculin 2 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, CHLORIDE ION, ... | 著者 | Nachon, F, Carletti, E, Ronco, C, Trovaslet, M, Nicolet, Y, Jean, L, Renard, P.-Y. | 登録日 | 2012-10-06 | 公開日 | 2013-05-29 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (3.104 Å) | 主引用文献 | Crystal structures of human cholinesterases in complex with huprine W and tacrine: elements of specificity for anti-Alzheimer's drugs targeting acetyl- and butyryl-cholinesterase. Biochem. J., 453, 2013
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4BLG
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![BU of 4blg by Molmil](/molmil-images/mine/4blg) | Crystal structure of MHV-68 Latency-associated nuclear antigen (LANA) C-terminal DNA binding domain | 分子名称: | LATENCY-ASSOCIATED NUCLEAR ANTIGEN, PHOSPHATE ION | 著者 | Correia, B, Cerqueira, S.A, Beauchemin, C, Pires De Miranda, M, Li, S, Ponnusamy, R, Rodrigues, L, Schneider, T.R, Carrondo, M.A, Kaye, K.M, Simas, J.P, McVey, C.E. | 登録日 | 2013-05-02 | 公開日 | 2013-10-30 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Crystal Structure of the Gamma-2 Herpesvirus Lana DNA Binding Domain Identifies Charged Surface Residues which Impact Viral Latency Plos Pathog., 9, 2013
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4BLF
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![BU of 4blf by Molmil](/molmil-images/mine/4blf) | Variable internal flexibility characterizes the helical capsid formed by Agrobacterium VirE2 protein on single-stranded DNA. | 分子名称: | SINGLE-STRAND DNA-BINDING PROTEIN | 著者 | Bharat, T.A.M, Zbaida, D, Eisenstein, M, Frankenstein, Z, Mehlman, T, Weiner, L, Sorzano, C.O.S, Barak, Y, Albeck, S, Briggs, J.A.G, Wolf, S.G, Elbaum, M. | 登録日 | 2013-05-02 | 公開日 | 2013-06-26 | 最終更新日 | 2024-05-08 | 実験手法 | ELECTRON MICROSCOPY (20 Å) | 主引用文献 | Variable Internal Flexibility Characterizes the Helical Capsid Formed by Agrobacterium Vire2 Protein on Single-Stranded DNA. Structure, 21, 2013
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4AZE
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![BU of 4aze by Molmil](/molmil-images/mine/4aze) | Human DYRK1A in complex with Leucettine L41 | 分子名称: | 5-(1,3-benzodioxol-5-ylmethyl)-2-(phenylamino)-4H-imidazol-4-one, DUAL SPECIFICITY TYROSINE-PHOSPHORYLATION-REGULATED KINASE 1A | 著者 | Elkins, J.M, Soundararajan, M, Muniz, J.R.C, Tahtouh, T, Burgy, G, Durieu, E, Lozach, O, Cochet, C, Schmid, R.S, Lo, D.C, Delhommel, F, Carreaux, F, Bazureau, J.P, Meijer, L, Edwards, A, Bountra, C, Knapp, S. | 登録日 | 2012-06-25 | 公開日 | 2012-09-05 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (3.15 Å) | 主引用文献 | Selectivity, Co-Crystal Structures and Neuroprotective Properties of Leucettines, a Family of Protein Kinase Inhibitors Derived from the Marine Sponge Alkaloid Leucettamine B. J.Med.Chem., 55, 2012
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4B6U
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![BU of 4b6u by Molmil](/molmil-images/mine/4b6u) | Solution structure of eIF4E3 in complex with m7GDP | 分子名称: | 7N-METHYL-8-HYDROGUANOSINE-5'-DIPHOSPHATE, EUKARYOTIC TRANSLATION INITIATION FACTOR 4E TYPE 3 | 著者 | Osborne, M.J, Volpon, L, Kornblatt, J.A, Culkjovic-Kraljcic, B, Baguet, A, Borden, K.L.B. | 登録日 | 2012-08-15 | 公開日 | 2013-03-06 | 最終更新日 | 2024-06-19 | 実験手法 | SOLUTION NMR | 主引用文献 | Eif4E3 Acts as a Tumor Suppressor by Utilizing an Atypical Mode of Methyl-7-Guanosine CAP Recognition Proc.Natl.Acad.Sci.USA, 110, 2013
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4B6V
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![BU of 4b6v by Molmil](/molmil-images/mine/4b6v) | The third member of the eIF4E family represses gene expression via a novel mode of recognition of the methyl-7 guanosine cap moiety | 分子名称: | EUKARYOTIC TRANSLATION INITIATION FACTOR 4E TYPE 3 | 著者 | Osborne, M.J, Volpon, L, Kornblatt, J.A, Culjkovic-Kraljcic, B, Baguet, A, Borden, K.L.B. | 登録日 | 2012-08-15 | 公開日 | 2013-02-27 | 最終更新日 | 2024-06-19 | 実験手法 | SOLUTION NMR | 主引用文献 | Eif4E3 Acts as a Tumor Suppressor by Utilizing an Atypical Mode of Methyl-7-Guanosine CAP Recognition. Proc.Natl.Acad.Sci.USA, 110, 2013
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4AT0
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![BU of 4at0 by Molmil](/molmil-images/mine/4at0) | The crystal structure of 3-ketosteroid-delta4-(5alpha)-dehydrogenase from Rhodococcus jostii RHA1 | 分子名称: | 3-KETOSTEROID-DELTA4-5ALPHA-DEHYDROGENASE, ACETATE ION, CHLORIDE ION, ... | 著者 | van Oosterwijk, N, Knol, J, Dijkhuizen, L, van der Geize, R, Dijkstra, B.W. | 登録日 | 2012-05-03 | 公開日 | 2012-08-01 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Structure and Catalytic Mechanism of 3-Ketosteroid-{Delta}4-(5Alpha)-Dehydrogenase from Rhodococcus Jostii Rha1 Genome. J.Biol.Chem., 287, 2012
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4AZF
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![BU of 4azf by Molmil](/molmil-images/mine/4azf) | Human DYRK2 in complex with Leucettine L41 | 分子名称: | 1,2-ETHANEDIOL, 5-(1,3-benzodioxol-5-ylmethyl)-2-(phenylamino)-4H-imidazol-4-one, DYRK2 DUAL-SPECIFICITY TYROSINE-PHOSPHORYLATION REGULATED KINASE 2, ... | 著者 | Elkins, J.M, Soundararajan, M, Muniz, J.R.C, Tahtouh, T, Burgy, G, Durieu, E, Lozach, O, Cochet, C, Schmid, R.S, Lo, D.C, Delhommel, F, Carreaux, F, Bazureau, J.P, Meijer, L, Edwards, A, Bountra, C, Knapp, S. | 登録日 | 2012-06-25 | 公開日 | 2012-09-05 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | Selectivity, Co-Crystal Structures and Neuroprotective Properties of Leucettines, a Family of Protein Kinase Inhibitors Derived from the Marine Sponge Alkaloid Leucettamine B. J.Med.Chem., 55, 2012
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4B0B
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![BU of 4b0b by Molmil](/molmil-images/mine/4b0b) | Crystal Structure of 3-hydroxydecanoyl-Acyl Carrier Protein Dehydratase (FabA) from Pseudomonas aeruginosa in complex with 3-(pyridin-2-yloxy)aniline | 分子名称: | 3-(pyridin-2-yloxy)aniline, 3-HYDROXYDECANOYL-[ACYL-CARRIER-PROTEIN] DEHYDRATASE | 著者 | Moynie, L, McMahon, S.A, Duthie, F.G, Taylor, J.W, Naismith, J.H. | 登録日 | 2012-07-01 | 公開日 | 2012-11-28 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structural Insights Into the Mechanism and Inhibition of the Beta-Hydroxydecanoyl-Acyl Carrier Protein Dehydratase from Pseudomonasaeruginosa. J.Mol.Biol., 425, 2013
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4B4M
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![BU of 4b4m by Molmil](/molmil-images/mine/4b4m) | Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, ... | 著者 | Alphey, M.S, Pirrie, L, Torrie, L.S, Gardiner, M, Westwood, N.J, Gray, D, Naismith, J.H. | 登録日 | 2012-07-31 | 公開日 | 2012-10-31 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Allosteric competitive inhibitors of the glucose-1-phosphate thymidylyltransferase (RmlA) from Pseudomonas aeruginosa. ACS Chem. Biol., 8, 2013
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4B3W
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![BU of 4b3w by Molmil](/molmil-images/mine/4b3w) | Crystal structure of human cytoglobin H(E7)Q mutant | 分子名称: | ACETATE ION, CYANIDE ION, CYTOGLOBIN, ... | 著者 | Gabba, M, Abbruzzetti, S, Spyrakis, F, Forti, F, Bruno, S, Mozzarelli, A, Luque, F.J, Viappiani, C, Cozzini, P, Nardini, M, Germani, F, Bolognesi, M, Moens, L, Dewilde, S. | 登録日 | 2012-07-26 | 公開日 | 2013-01-23 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Co Rebinding Kinetics and Molecular Dynamics Simulations Highlight Dynamic Regulation of Internal Cavities in Human Cytoglobin. Plos One, 8, 2013
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7MDJ
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![BU of 7mdj by Molmil](/molmil-images/mine/7mdj) | The structure of KcsA in complex with a synthetic Fab | 分子名称: | Fab heavy chain, Fab light chain, POTASSIUM ION, ... | 著者 | Rohaim, A, Slezak, T, Blackowicz, L, Kossiakoff, A, Roux, B. | 登録日 | 2021-04-05 | 公開日 | 2022-02-16 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | 主引用文献 | Engineering of a synthetic antibody fragment for structural and functional studies of K+ channels. J.Gen.Physiol., 154, 2022
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4BD0
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![BU of 4bd0 by Molmil](/molmil-images/mine/4bd0) | X-ray structure of a perdeuterated Toho-1 R274N R276N double mutant Beta-lactamase in complex with a fully deuterated boronic acid (BZB) | 分子名称: | BENZO[B]THIOPHENE-2-BORONIC ACID, BETA-LACTAMASE TOHO-1, SULFATE ION | 著者 | Tomanicek, S.J, Weiss, K.L, Standaert, R.F, Ostermann, A, Schrader, T.E, Ng, J.D, Coates, L. | 登録日 | 2012-10-04 | 公開日 | 2013-01-09 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.207 Å) | 主引用文献 | Neutron and X-Ray Crystal Structures of a Perdeuterated Enzyme Inhibitor Complex Reveal the Catalytic Proton Network of the Toho-1 Beta-Lactamase for the Acylation Reaction. J.Biol.Chem., 288, 2013
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