4RVA
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![BU of 4rva by Molmil](/molmil-images/mine/4rva) | A triple mutant in the omega-loop of TEM-1 beta-lactamase changes the substrate profile via a large conformational change and an altered general base for deacylation | 分子名称: | BICARBONATE ION, Beta-lactamase TEM | 著者 | Stojanoski, V, Chow, D.-C, Hu, L, Sankaran, B, Gilbert, H, Prasad, B.V.V, Palzkill, T. | 登録日 | 2014-11-25 | 公開日 | 2015-03-04 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.4397 Å) | 主引用文献 | A Triple Mutant in the Omega-loop of TEM-1 beta-Lactamase Changes the Substrate Profile via a Large Conformational Change and an Altered General Base for Catalysis. J.Biol.Chem., 290, 2015
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4RX3
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![BU of 4rx3 by Molmil](/molmil-images/mine/4rx3) | A triple mutant in the omega-loop of TEM-1 beta-lactamase changes the substrate profile via a large conformational change and an altered general base for catalysis | 分子名称: | Beta-lactamase TEM, CITRATE ANION | 著者 | Stojanoski, V, Chow, D, Hu, L, Sankaran, B, Gilbert, H, Prasad, B.V.V, Palzkill, T. | 登録日 | 2014-12-08 | 公開日 | 2015-03-04 | 最終更新日 | 2017-11-22 | 実験手法 | X-RAY DIFFRACTION (1.39 Å) | 主引用文献 | A Triple Mutant in the Omega-loop of TEM-1 beta-Lactamase Changes the Substrate Profile via a Large Conformational Change and an Altered General Base for Catalysis. J.Biol.Chem., 290, 2015
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7V04
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![BU of 7v04 by Molmil](/molmil-images/mine/7v04) | The N-terminal domain of PA endonuclease from the influenza H1N1 viral polymerase in complex with 6-bromo-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxamide | 分子名称: | 6-bromo-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxamide, MANGANESE (II) ION, Polymerase acidic protein | 著者 | Kohlbrand, A.J, Stokes, R.W, Karges, J, Seo, H, Sankaran, B, Cohen, S.M. | 登録日 | 2022-05-09 | 公開日 | 2022-12-21 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | 主引用文献 | Carboxylic Acid Isostere Derivatives of Hydroxypyridinones as Core Scaffolds for Influenza Endonuclease Inhibitors. Acs Med.Chem.Lett., 14, 2023
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4P3I
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![BU of 4p3i by Molmil](/molmil-images/mine/4p3i) | Structure of the P domain from a GI.7 Norovirus variant in complex with LeA HBGA. | 分子名称: | P domain of VP1, beta-D-galactopyranose-(1-3)-[alpha-L-fucopyranose-(1-4)]2-acetamido-2-deoxy-beta-D-glucopyranose | 著者 | Shanker, S, Czako, R, Sankaran, B, Atmar, R, Estes, M, Prasad, B.V.V. | 登録日 | 2014-03-07 | 公開日 | 2014-04-02 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.6941 Å) | 主引用文献 | Structural analysis of determinants of histo-blood group antigen binding specificity in genogroup I noroviruses. J.Virol., 88, 2014
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4P26
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![BU of 4p26 by Molmil](/molmil-images/mine/4p26) | Structure of the P domain from a GI.7 Norovirus variant in complex with A-type 2 HBGA | 分子名称: | P domain of VP1, alpha-L-fucopyranose-(1-2)-[2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-3)]beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | 著者 | Shanker, S, Czako, R, Sankaran, B, Atmar, R, Estes, M, Prasad, B.V.V. | 登録日 | 2014-03-01 | 公開日 | 2014-04-02 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structural analysis of determinants of histo-blood group antigen binding specificity in genogroup I noroviruses. J.Virol., 88, 2014
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4P2N
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![BU of 4p2n by Molmil](/molmil-images/mine/4p2n) | Structure of the P domain from a GI.7 Norovirus variant in complex with LeX HBGA | 分子名称: | Major capsid protein, alpha-L-fucopyranose-(1-3)-[beta-D-galactopyranose-(1-4)]2-acetamido-2-deoxy-beta-D-glucopyranose | 著者 | Shanker, S, Czako, R, Sankaran, B, Atmar, R, Estes, M, Prasad, B.V.V. | 登録日 | 2014-03-04 | 公開日 | 2014-04-02 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Structural analysis of determinants of histo-blood group antigen binding specificity in genogroup I noroviruses. J.Virol., 88, 2014
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4P1V
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![BU of 4p1v by Molmil](/molmil-images/mine/4p1v) | Structure of the P domain from a GI.7 Norovirus variant in complex with H-type 2 HBGA | 分子名称: | P domain of VPI, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | 著者 | Shanker, S, Czako, R, Sankaran, B, Atmar, R, Estes, M, Prasad, B.V.V. | 登録日 | 2014-02-27 | 公開日 | 2014-04-02 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.5497 Å) | 主引用文献 | Structural analysis of determinants of histo-blood group antigen binding specificity in genogroup I noroviruses. J.Virol., 88, 2014
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4ZOR
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![BU of 4zor by Molmil](/molmil-images/mine/4zor) | The structure of the S37P MS2 viral capsid assembly. | 分子名称: | Coat protein, PHOSPHATE ION | 著者 | Asensio, M.A, Sankaran, B, Zwart, P.H, Tullman-Ercek, D. | 登録日 | 2015-05-06 | 公開日 | 2016-09-07 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | A Selection for Assembly Reveals That a Single Amino Acid Mutant of the Bacteriophage MS2 Coat Protein Forms a Smaller Virus-like Particle. Nano Lett., 16, 2016
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4P12
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![BU of 4p12 by Molmil](/molmil-images/mine/4p12) | Native Structure of the P domain from a GI.7 Norovirus variant. | 分子名称: | Major capsid protein | 著者 | Shanker, S, Czako, R, Sankaran, B, Atmar, R, Estes, M, Prasad, B.V.V. | 登録日 | 2014-02-24 | 公開日 | 2014-04-02 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.6011 Å) | 主引用文献 | Structural analysis of determinants of histo-blood group antigen binding specificity in genogroup I noroviruses. J.Virol., 88, 2014
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4P25
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![BU of 4p25 by Molmil](/molmil-images/mine/4p25) | Structure of the P domain from a GI.7 Norovirus variant in complex with LeY HBGA. | 分子名称: | Major capsid protein, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)]2-acetamido-2-deoxy-beta-D-glucopyranose | 著者 | Shanker, S, Czako, R, Sankaran, B, Atmar, R, Estes, M, Prasad, B.V.V. | 登録日 | 2014-03-01 | 公開日 | 2014-04-02 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.4991 Å) | 主引用文献 | Structural analysis of determinants of histo-blood group antigen binding specificity in genogroup I noroviruses. J.Virol., 88, 2014
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5C8W
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![BU of 5c8w by Molmil](/molmil-images/mine/5c8w) | PKG II's Amino Terminal Cyclic Nucleotide Binding Domain (CNB-A) in a complex with cGMP | 分子名称: | CYCLIC GUANOSINE MONOPHOSPHATE, MALONIC ACID, SODIUM ION, ... | 著者 | Campbell, J.C, Reger, A.S, Huang, G.Y, Sankaran, B, Kim, J.J, Kim, C.W. | 登録日 | 2015-06-26 | 公開日 | 2016-01-20 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structural Basis of Cyclic Nucleotide Selectivity in cGMP-dependent Protein Kinase II. J.Biol.Chem., 291, 2016
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4QX5
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![BU of 4qx5 by Molmil](/molmil-images/mine/4qx5) | Neutron diffraction reveals hydrogen bonds critical for cGMP-selective activation: Insights for PKG agonist design | 分子名称: | ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, IODIDE ION, cGMP-dependent protein kinase 1 | 著者 | Huang, G.Y, Gerlits, O.O, Blakeley, M.P, Sankaran, B, Kovalevsky, A.Y, Kim, C. | 登録日 | 2014-07-18 | 公開日 | 2014-11-12 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.318 Å) | 主引用文献 | Neutron Diffraction Reveals Hydrogen Bonds Critical for cGMP-Selective Activation: Insights for cGMP-Dependent Protein Kinase Agonist Design. Biochemistry, 53, 2014
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4PM8
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![BU of 4pm8 by Molmil](/molmil-images/mine/4pm8) | Crystal structure of CTX-M-14 S70G:S237A beta-lactamase at 1.17 Angstroms resolution | 分子名称: | Beta-lactamase CTX-M-14, SULFATE ION | 著者 | Adamski, C.J, Cardenas, A.M, Sankaran, B, Palzkill, T. | 登録日 | 2014-05-20 | 公開日 | 2014-12-31 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.169 Å) | 主引用文献 | Molecular Basis for the Catalytic Specificity of the CTX-M Extended-Spectrum beta-Lactamases. Biochemistry, 54, 2015
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5C6C
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![BU of 5c6c by Molmil](/molmil-images/mine/5c6c) | PKG II's Amino Terminal Cyclic Nucleotide Binding Domain (CNB-A) in a complex with cAMP | 分子名称: | 1,2-ETHANEDIOL, ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, CADMIUM ION, ... | 著者 | Campbell, J.C, Reger, A.S, Huang, G.Y, Sankaran, B, Kim, J.J, Kim, C.W. | 登録日 | 2015-06-22 | 公開日 | 2016-01-20 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Structural Basis of Cyclic Nucleotide Selectivity in cGMP-dependent Protein Kinase II. J.Biol.Chem., 291, 2016
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8SQF
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![BU of 8sqf by Molmil](/molmil-images/mine/8sqf) | OXA-48 bound to inhibitor CDD-2725 | 分子名称: | (1M)-3'-(benzyloxy)-5-hydroxy[1,1'-biphenyl]-3,4'-dicarboxylic acid, BICARBONATE ION, Beta-lactamase | 著者 | Park, S, Judge, A, Fan, J, Sankaran, B, Prasad, B.V.V, Palzkill, T. | 登録日 | 2023-05-04 | 公開日 | 2024-01-03 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Exploiting the Carboxylate-Binding Pocket of beta-Lactamase Enzymes Using a Focused DNA-Encoded Chemical Library. J.Med.Chem., 67, 2024
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8SJ3
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![BU of 8sj3 by Molmil](/molmil-images/mine/8sj3) | |
8TMT
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![BU of 8tmt by Molmil](/molmil-images/mine/8tmt) | Crystal structure of KPC-44 carbapenemase in complex with vaborbactam | 分子名称: | 1,2-ETHANEDIOL, GLYCEROL, LITHIUM ION, ... | 著者 | Sun, Z, Palzkill, T, Hu, L, Neetu, N, Lin, H, Sankaran, B, Wang, J, Prasad, B. | 登録日 | 2023-07-30 | 公開日 | 2023-12-06 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Klebsiella pneumoniae carbapenemase variant 44 acquires ceftazidime-avibactam resistance by altering the conformation of active-site loops. J.Biol.Chem., 300, 2023
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8TJM
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![BU of 8tjm by Molmil](/molmil-images/mine/8tjm) | Crystal structure of KPC-44 carbapenemase | 分子名称: | 1,2-ETHANEDIOL, SULFATE ION, beta-lactamase | 著者 | Sun, Z, Palzkill, T, Hu, L, Lin, H, Sankaran, B, Wang, J, Prasad, B. | 登録日 | 2023-07-23 | 公開日 | 2023-12-06 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.28 Å) | 主引用文献 | Klebsiella pneumoniae carbapenemase variant 44 acquires ceftazidime-avibactam resistance by altering the conformation of active-site loops. J.Biol.Chem., 300, 2023
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8TN0
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![BU of 8tn0 by Molmil](/molmil-images/mine/8tn0) | Crystal structure of KPC-44 carbapenemase w/o cryoprotectant | 分子名称: | SULFATE ION, beta-lactamase | 著者 | Sun, Z, Palzkill, T, Hu, L, Lin, H, Sankaran, B, Wang, J, Prasad, B. | 登録日 | 2023-07-31 | 公開日 | 2023-12-06 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.31 Å) | 主引用文献 | Klebsiella pneumoniae carbapenemase variant 44 acquires ceftazidime-avibactam resistance by altering the conformation of active-site loops. J.Biol.Chem., 300, 2023
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8TMR
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![BU of 8tmr by Molmil](/molmil-images/mine/8tmr) | Crystal structure of KPC-44 carbapenemase complexed with avibactam | 分子名称: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, 1,2-ETHANEDIOL, PHOSPHATE ION, ... | 著者 | Sun, Z, Palzkill, T, Hu, L, Lin, H, Sankaran, B, Wang, J, Prasad, B. | 登録日 | 2023-07-30 | 公開日 | 2023-12-06 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.37 Å) | 主引用文献 | Klebsiella pneumoniae carbapenemase variant 44 acquires ceftazidime-avibactam resistance by altering the conformation of active-site loops. J.Biol.Chem., 300, 2023
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6MSR
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![BU of 6msr by Molmil](/molmil-images/mine/6msr) | Crystal structure of pRO-2.5 | 分子名称: | pRO-2.5 | 著者 | Bick, M.J, Sankaran, B, Boyken, S.E, Baker, D. | 登録日 | 2018-10-17 | 公開日 | 2019-05-08 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | De novo design of tunable, pH-driven conformational changes. Science, 364, 2019
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8SQG
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![BU of 8sqg by Molmil](/molmil-images/mine/8sqg) | OXA-48 bound to inhibitor CDD-2801 | 分子名称: | (1M)-3'-(benzyloxy)-5-[2-(methylamino)-2-oxoethoxy][1,1'-biphenyl]-3,4'-dicarboxylic acid, BICARBONATE ION, Beta-lactamase | 著者 | Park, S, Judge, A, Fan, J, Sankaran, B, Palzkill, T. | 登録日 | 2023-05-04 | 公開日 | 2024-01-03 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | 主引用文献 | Exploiting the Carboxylate-Binding Pocket of beta-Lactamase Enzymes Using a Focused DNA-Encoded Chemical Library. J.Med.Chem., 67, 2024
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8T6E
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![BU of 8t6e by Molmil](/molmil-images/mine/8t6e) | Crystal structure of T33-28.3: Deep-learning sequence design of co-assembling tetrahedron protein nanoparticles | 分子名称: | T33-28.3: A, T33-28.3: B | 著者 | Bera, A.K, de Haas, R.J, Kang, A, Sankaran, B, King, N.P. | 登録日 | 2023-06-15 | 公開日 | 2024-04-24 | 実験手法 | X-RAY DIFFRACTION (2.48 Å) | 主引用文献 | Rapid and automated design of two-component protein nanomaterials using ProteinMPNN. Proc.Natl.Acad.Sci.USA, 121, 2024
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8T6C
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![BU of 8t6c by Molmil](/molmil-images/mine/8t6c) | Crystal structure of T33-18.2: Deep-learning sequence design of co-assembling tetrahedron protein nanoparticles | 分子名称: | T33-18.2 : A, T33-18.2 : B | 著者 | Bera, A.K, de Haas, R.J, Kang, A, Sankaran, B, King, N.P. | 登録日 | 2023-06-15 | 公開日 | 2024-04-24 | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | 主引用文献 | Rapid and automated design of two-component protein nanomaterials using ProteinMPNN. Proc.Natl.Acad.Sci.USA, 121, 2024
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8T6N
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![BU of 8t6n by Molmil](/molmil-images/mine/8t6n) | Crystal structure of T33-27.1: Deep-learning sequence design of co-assembling tetrahedron protein nanoparticles | 分子名称: | T33-27.1 : A, T33-27.1 : B | 著者 | Bera, A.K, de Haas, R.J, Kang, A, Sankaran, B, King, N.P. | 登録日 | 2023-06-16 | 公開日 | 2024-04-24 | 実験手法 | X-RAY DIFFRACTION (3.63 Å) | 主引用文献 | Rapid and automated design of two-component protein nanomaterials using ProteinMPNN. Proc.Natl.Acad.Sci.USA, 121, 2024
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