6KI8
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![BU of 6ki8 by Molmil](/molmil-images/mine/6ki8) | Pyrophosphatase mutant K149R from Acinetobacter baumannii | Descriptor: | DIPHOSPHATE, Inorganic pyrophosphatase, MAGNESIUM ION | Authors: | Su, J. | Deposit date: | 2019-07-17 | Release date: | 2019-10-02 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Crystal Structures of Pyrophosphatase from Acinetobacter baumannii: Snapshots of Pyrophosphate Binding and Identification of a Phosphorylated Enzyme Intermediate. Int J Mol Sci, 20, 2019
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4JFQ
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![BU of 4jfq by Molmil](/molmil-images/mine/4jfq) | A2 HLA complex with L8A heteroclitic variant of Melanoma peptide | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-2-microglobulin, GLYCEROL, ... | Authors: | Rizkallah, P.J, Cole, D.K, Madura, F, Sewell, A.K, Baker, B.M. | Deposit date: | 2013-02-28 | Release date: | 2013-05-29 | Last modified: | 2013-07-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | T-cell receptor specificity maintained by altered thermodynamics. J.Biol.Chem., 288, 2013
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5YVF
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![BU of 5yvf by Molmil](/molmil-images/mine/5yvf) | Crystal structure of BFA1 | Descriptor: | BFA1 | Authors: | Pu, H, Zhang, L, Duan, Z.K, Peng, L.W, Liu, L. | Deposit date: | 2017-11-25 | Release date: | 2018-08-08 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.804 Å) | Cite: | Nucleus-Encoded Protein BFA1 Promotes Efficient Assembly of the Chloroplast ATP Synthase Coupling Factor 1. Plant Cell, 30, 2018
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8JJC
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![BU of 8jjc by Molmil](/molmil-images/mine/8jjc) | Tubulin-Y62 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(6,7-dimethoxy-3,4-dihydro-1~{H}-isoquinolin-2-yl)-6-(3-methoxyphenyl)pyrimidin-2-amine, CALCIUM ION, ... | Authors: | Yang, J. | Deposit date: | 2023-05-30 | Release date: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.76 Å) | Cite: | Structure-based design and synthesis of BML284 derivatives: A novel class of colchicine-site noncovalent tubulin degradation agents. Eur.J.Med.Chem., 268, 2024
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8JJB
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![BU of 8jjb by Molmil](/molmil-images/mine/8jjb) | Crystal structure of T2R-TTL-Y61 complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ... | Authors: | Yang, J. | Deposit date: | 2023-05-30 | Release date: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | Structure-based design and synthesis of BML284 derivatives: A novel class of colchicine-site noncovalent tubulin degradation agents. Eur.J.Med.Chem., 268, 2024
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7D0A
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![BU of 7d0a by Molmil](/molmil-images/mine/7d0a) | Acinetobacter MlaFEDB complex in ADP-vanadate trapped Vclose conformation | Descriptor: | ABC transporter ATP-binding protein, ADENOSINE-5'-DIPHOSPHATE, Anti-sigma factor antagonist, ... | Authors: | Zhang, Y.Y, Fan, Q.X, Chi, X.M, Zhou, Q, Li, Y.Y. | Deposit date: | 2020-09-09 | Release date: | 2020-12-16 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Cryo-EM structures of Acinetobacter baumannii glycerophospholipid transporter. Cell Discov, 6, 2020
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4IM3
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![BU of 4im3 by Molmil](/molmil-images/mine/4im3) | Structure of Tank-Binding Kinase 1 | Descriptor: | CHLORIDE ION, MERCURY (II) ION, N-(3-{[5-iodo-4-({3-[(thiophen-2-ylcarbonyl)amino]propyl}amino)pyrimidin-2-yl]amino}phenyl)pyrrolidine-1-carboxamide, ... | Authors: | Tu, D, Eck, M.J. | Deposit date: | 2013-01-01 | Release date: | 2013-03-06 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.342 Å) | Cite: | Structure and ubiquitination-dependent activation of TANK-binding kinase 1. Cell Rep, 3, 2013
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7D08
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![BU of 7d08 by Molmil](/molmil-images/mine/7d08) | Acinetobacter MlaFEDB complex in ATP-bound Vtrans1 conformation | Descriptor: | ABC transporter ATP-binding protein, ADENOSINE-5'-TRIPHOSPHATE, Anti-sigma factor antagonist, ... | Authors: | Zhang, Y.Y, Fan, Q.X, Chi, X.M, Zhou, Q, Li, Y.Y. | Deposit date: | 2020-09-09 | Release date: | 2020-12-16 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Cryo-EM structures of Acinetobacter baumannii glycerophospholipid transporter. Cell Discov, 6, 2020
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7D09
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![BU of 7d09 by Molmil](/molmil-images/mine/7d09) | Acinetobacter MlaFEDB complex in ATP-bound Vtrans2 conformation | Descriptor: | ABC transporter ATP-binding protein, ADENOSINE-5'-TRIPHOSPHATE, Anti-sigma factor antagonist, ... | Authors: | Zhang, Y.Y, Fan, Q.X, Chi, X.M, Zhou, Q, Li, Y.Y. | Deposit date: | 2020-09-09 | Release date: | 2020-12-16 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Cryo-EM structures of Acinetobacter baumannii glycerophospholipid transporter. Cell Discov, 6, 2020
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4IM2
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![BU of 4im2 by Molmil](/molmil-images/mine/4im2) | Structure of Tank-Binding Kinase 1 | Descriptor: | CHLORIDE ION, N-(3-{[5-iodo-4-({3-[(thiophen-2-ylcarbonyl)amino]propyl}amino)pyrimidin-2-yl]amino}phenyl)pyrrolidine-1-carboxamide, Serine/threonine-protein kinase TBK1 | Authors: | Tu, D, Eck, M.J. | Deposit date: | 2013-01-01 | Release date: | 2013-03-06 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.5001 Å) | Cite: | Structure and ubiquitination-dependent activation of TANK-binding kinase 1. Cell Rep, 3, 2013
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5H7N
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![BU of 5h7n by Molmil](/molmil-images/mine/5h7n) | Crystal structure of human NLRP12-PYD with a MBP tag | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, NLRP12-PYD with MBP tag, ... | Authors: | Jin, T.C, Xiao, T.S. | Deposit date: | 2016-11-19 | Release date: | 2017-02-15 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.849 Å) | Cite: | Design of an expression system to enhance MBP-mediated crystallization Sci Rep, 7, 2017
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7D06
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![BU of 7d06 by Molmil](/molmil-images/mine/7d06) | Cryo EM structure of the nucleotide free Acinetobacter MlaFEDB complex | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, ABC transporter ATP-binding protein, Anti-sigma factor antagonist, ... | Authors: | Zhang, Y.Y, Fan, Q.X, Chi, X.M, Zhou, Q, Li, Y.Y. | Deposit date: | 2020-09-09 | Release date: | 2020-12-16 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Cryo-EM structures of Acinetobacter baumannii glycerophospholipid transporter. Cell Discov, 6, 2020
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4IM0
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![BU of 4im0 by Molmil](/molmil-images/mine/4im0) | Structure of Tank-Binding Kinase 1 | Descriptor: | N-{3-[(5-cyclopropyl-2-{[3-(morpholin-4-ylmethyl)phenyl]amino}pyrimidin-4-yl)amino]propyl}cyclobutanecarboxamide, Serine/threonine-protein kinase TBK1 | Authors: | Tu, D, Eck, M.J. | Deposit date: | 2013-01-01 | Release date: | 2013-03-06 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.4001 Å) | Cite: | Structure and ubiquitination-dependent activation of TANK-binding kinase 1. Cell Rep, 3, 2013
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7UCC
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![BU of 7ucc by Molmil](/molmil-images/mine/7ucc) | Transcription factor FosB/JunD bZIP domain in the reduced form | Descriptor: | CHLORIDE ION, ETHANOL, Protein fosB, ... | Authors: | Kumar, A, Machius, M.C, Rudenko, G. | Deposit date: | 2022-03-16 | Release date: | 2023-01-25 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Chemically targeting the redox switch in AP1 transcription factor Delta FOSB. Nucleic Acids Res., 50, 2022
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7UCD
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![BU of 7ucd by Molmil](/molmil-images/mine/7ucd) | Transcription factor FosB/JunD bZIP domain covalently modified with the cysteine-targeting alpha-haloketone compound Z2159931480 | Descriptor: | 7-acetyl-4-methoxy-1-benzofuran-3(2H)-one, CHLORIDE ION, Protein fosB, ... | Authors: | Kumar, A, Machius, M.C, Rudenko, G. | Deposit date: | 2022-03-16 | Release date: | 2023-01-25 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3.21 Å) | Cite: | Chemically targeting the redox switch in AP1 transcription factor Delta FOSB. Nucleic Acids Res., 50, 2022
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4JFH
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![BU of 4jfh by Molmil](/molmil-images/mine/4jfh) | High Affinity alpha24-beta17 T Cell Receptor for A2 HLA-Melanoma peptide complex | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, SULFATE ION, ... | Authors: | Rizkallah, P.J, Cole, D.K, Madura, F, Sewell, A.K. | Deposit date: | 2013-02-28 | Release date: | 2013-05-29 | Last modified: | 2013-07-17 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | T-cell receptor specificity maintained by altered thermodynamics. J.Biol.Chem., 288, 2013
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4JFE
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![BU of 4jfe by Molmil](/molmil-images/mine/4jfe) | Preservation of peptide specificity during TCR-MHC contact dominated affinity enhancement of a melanoma-specific TCR | Descriptor: | Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ... | Authors: | Rizkallah, P.J, Cole, D.K, Madura, F, Sewell, A.K. | Deposit date: | 2013-02-28 | Release date: | 2013-05-29 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | T-cell receptor specificity maintained by altered thermodynamics. J.Biol.Chem., 288, 2013
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7Y75
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![BU of 7y75 by Molmil](/molmil-images/mine/7y75) | SIT1-ACE2-BA.2 RBD | Descriptor: | 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Shen, Y.P, Li, Y.N, Zhang, Y.Y, Yan, R.H. | Deposit date: | 2022-06-21 | Release date: | 2022-11-30 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structures of ACE2-SIT1 recognized by Omicron variants of SARS-CoV-2. Cell Discov, 8, 2022
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7Y76
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![BU of 7y76 by Molmil](/molmil-images/mine/7y76) | SIT1-ACE2-BA.5 RBD | Descriptor: | 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Shen, Y.P, Li, Y.N, Zhang, Y.Y, Yan, R.H. | Deposit date: | 2022-06-21 | Release date: | 2023-01-04 | Last modified: | 2023-02-08 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structures of ACE2-SIT1 recognized by Omicron variants of SARS-CoV-2. Cell Discov, 8, 2022
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6AXQ
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![BU of 6axq by Molmil](/molmil-images/mine/6axq) | |
5H7Q
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![BU of 5h7q by Molmil](/molmil-images/mine/5h7q) | Crystal structure of human MNDA PYD domain with MBP tag | Descriptor: | ACETATE ION, MNDA PYD domain with MBP tag, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Jin, T.C, Xiao, T.S. | Deposit date: | 2016-11-20 | Release date: | 2017-02-15 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.451 Å) | Cite: | Design of an expression system to enhance MBP-mediated crystallization Sci Rep, 7, 2017
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6LLZ
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![BU of 6llz by Molmil](/molmil-images/mine/6llz) | |
4JFP
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![BU of 4jfp by Molmil](/molmil-images/mine/4jfp) | A2 HLA complex with G4A heteroclitic variant of Melanoma peptide | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-2-microglobulin, ... | Authors: | Rizkallah, P.J, Cole, D.K, Madura, F, Sewell, A.K. | Deposit date: | 2013-02-28 | Release date: | 2013-05-29 | Last modified: | 2013-07-17 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | T-cell receptor specificity maintained by altered thermodynamics. J.Biol.Chem., 288, 2013
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4JFO
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![BU of 4jfo by Molmil](/molmil-images/mine/4jfo) | A2 HLA complex with E1A heteroclitic variant of Melanoma peptide | Descriptor: | Beta-2-microglobulin, E1A heteroclitic Melanoma peptide, GLYCEROL, ... | Authors: | Rizkallah, P.J, Cole, D.K, Madura, F, Sewell, A.K, Baker, B.M. | Deposit date: | 2013-02-28 | Release date: | 2013-05-29 | Last modified: | 2013-07-17 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | T-cell receptor specificity maintained by altered thermodynamics. J.Biol.Chem., 288, 2013
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6AY5
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![BU of 6ay5 by Molmil](/molmil-images/mine/6ay5) | CREBBP bromodomain in complex with Cpd17 (5-(7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl)-3-methylbenzo[d]thiazol-2(3H)-one) | Descriptor: | 5-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-3-methyl-1,3-benzothiazol-2(3H)-one, CREB-binding protein, DIMETHYL SULFOXIDE, ... | Authors: | Murray, J.M. | Deposit date: | 2017-09-07 | Release date: | 2018-02-21 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | A Unique Approach to Design Potent and Selective Cyclic Adenosine Monophosphate Response Element Binding Protein, Binding Protein (CBP) Inhibitors. J. Med. Chem., 60, 2017
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