2JDT
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![BU of 2jdt by Molmil](/molmil-images/mine/2jdt) | Structure of PKA-PKB chimera complexed with ISOQUINOLINE-5-SULFONIC ACID (2-(2-(4-CHLOROBENZYLOXY) ETHYLAMINO)ETHYL)AMIDE | Descriptor: | CAMP-DEPENDENT PROTEIN KINASE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, ISOQUINOLINE-5-SULFONIC ACID (2-(2-(4-CHLOROBENZYLOXY)ETHYLAMINO)ETHYL)AMIDE | Authors: | Davies, T.G, Verdonk, M.L, Graham, B, Saalau-Bethell, S, Hamlett, C.C.F, McHardy, T, Collins, I, Garrett, M.D, Workman, P, Woodhead, S.J, Jhoti, H, Barford, D. | Deposit date: | 2007-01-12 | Release date: | 2007-02-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | A Structural Comparison of Inhibitor Binding to Pkb, Pka and Pka-Pkb Chimera J.Mol.Biol., 367, 2007
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8D14
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![BU of 8d14 by Molmil](/molmil-images/mine/8d14) | Helical ADP-Pi-F-actin | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | Authors: | Reynolds, M.J, Alushin, G.M. | Deposit date: | 2022-05-26 | Release date: | 2022-09-07 | Last modified: | 2022-11-23 | Method: | ELECTRON MICROSCOPY (2.51 Å) | Cite: | Bending forces and nucleotide state jointly regulate F-actin structure. Nature, 611, 2022
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1YSG
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![BU of 1ysg by Molmil](/molmil-images/mine/1ysg) | Solution Structure of the Anti-apoptotic Protein Bcl-xL in Complex with "SAR by NMR" Ligands | Descriptor: | 4'-FLUORO-1,1'-BIPHENYL-4-CARBOXYLIC ACID, 5,6,7,8-TETRAHYDRONAPHTHALEN-1-OL, Apoptosis regulator Bcl-X | Authors: | Oltersdorf, T, Elmore, S.W, Shoemaker, A.R, Armstrong, R.C, Augeri, D.J, Belli, B.A, Bruncko, M, Deckwerth, T.L, Dinges, J, Hajduk, P.J, Joseph, M.K, Kitada, S, Korsmeyer, S.J, Kunzer, A.R, Letai, A, Li, C, Mitten, M.J, Nettesheim, D.G, Ng, S, Nimmer, P.M, O'Connor, J.M, Oleksijew, A, Petros, A.M, Reed, J.C, Shen, W, Tahir, S.K, Thompson, C.B, Tomaselli, K.J, Wang, B, Wendt, M.D, Zhang, H, Fesik, S.W, Rosenberg, S.H. | Deposit date: | 2005-02-08 | Release date: | 2005-06-07 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | An inhibitor of Bcl-2 family proteins induces regression of solid tumours Nature, 435, 2005
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8D18
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![BU of 8d18 by Molmil](/molmil-images/mine/8d18) | Straight ADP-F-actin 2 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | Authors: | Reynolds, M.J, Alushin, G.M. | Deposit date: | 2022-05-26 | Release date: | 2022-09-07 | Last modified: | 2022-11-23 | Method: | ELECTRON MICROSCOPY (3.66 Å) | Cite: | Bending forces and nucleotide state jointly regulate F-actin structure. Nature, 611, 2022
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8D15
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![BU of 8d15 by Molmil](/molmil-images/mine/8d15) | Bent ADP-F-actin | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | Authors: | Reynolds, M.J, Alushin, G.M. | Deposit date: | 2022-05-26 | Release date: | 2022-09-07 | Last modified: | 2022-11-23 | Method: | ELECTRON MICROSCOPY (3.61 Å) | Cite: | Bending forces and nucleotide state jointly regulate F-actin structure. Nature, 611, 2022
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7TAZ
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![BU of 7taz by Molmil](/molmil-images/mine/7taz) | Crystal structure of HIV-1 reverse transcriptase (RT) in complex with VM-1500A, a non-nucleoside RT inhibitor | Descriptor: | 2-[4-bromo-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]-N-(2-chloro-4-sulfamoylphenyl)acetamide, Reverse transcriptase p51, Reverse transcriptase/ribonuclease H | Authors: | Snyder, A.A, Risener, C.J, Kirby, K.A, Sarafianos, S.G. | Deposit date: | 2021-12-21 | Release date: | 2023-04-12 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of HIV-1 reverse transcriptase (RT) in complex with VM-1500A, a non-nucleoside RT inhibitor To Be Published
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1YUK
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![BU of 1yuk by Molmil](/molmil-images/mine/1yuk) | The crystal structure of the PSI/Hybrid domain/ I-EGF1 segment from the human integrin beta2 at 1.8 resolution | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, Integrin beta-2 A chain, Integrin beta-2 B chain | Authors: | Shi, M, Sundramurthy, K, Liu, B, Tan, S.M, Law, S.K, Lescar, J. | Deposit date: | 2005-02-14 | Release date: | 2005-07-19 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The Crystal Structure of the Plexin-Semaphorin-Integrin Domain/Hybrid Domain/I-EGF1 Segment from the Human Integrin {beta}2 Subunit at 1.8-A Resolution J.Biol.Chem., 280, 2005
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8CYA
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![BU of 8cya by Molmil](/molmil-images/mine/8cya) | SARS-CoV-2 Spike protein in complex with a pan-sarbecovirus nanobody 2-67 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Huang, W, Taylor, D. | Deposit date: | 2022-05-23 | Release date: | 2022-07-06 | Last modified: | 2022-07-13 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Superimmunity by pan-sarbecovirus nanobodies. Cell Rep, 39, 2022
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8CUB
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![BU of 8cub by Molmil](/molmil-images/mine/8cub) | |
2JHM
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![BU of 2jhm by Molmil](/molmil-images/mine/2jhm) | Structure of globular heads of M-ficolin at neutral pH | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, FICOLIN-1, ... | Authors: | Garlatti, V, Martin, L, Gout, E, Reiser, J.B, Arlaud, G.J, Thielens, N.M, Gaboriaud, C. | Deposit date: | 2007-02-22 | Release date: | 2007-10-09 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Structural Basis for Innate Immune Sensing by M-Ficolin and its Control by a Ph-Dependent Conformational Switch. J.Biol.Chem., 282, 2007
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8CXQ
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![BU of 8cxq by Molmil](/molmil-images/mine/8cxq) | |
8CY6
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![BU of 8cy6 by Molmil](/molmil-images/mine/8cy6) | |
8CU6
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![BU of 8cu6 by Molmil](/molmil-images/mine/8cu6) | Crystal structure of A2AAR-StaR2-S277-bRIL in complex with a novel A2a antagonist, LJ-4517 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2R,3R,4R)-2-[(8P)-6-amino-2-(hex-1-yn-1-yl)-8-(thiophen-2-yl)-9H-purin-9-yl]oxolane-3,4-diol, Adenosine receptor A2a,Soluble cytochrome b562, ... | Authors: | Shiriaeva, A, Park, D.-J, Kim, G, Lee, Y, Hou, X, Jarhad, D.B, Kim, G, Yu, J, Hyun, Y.E, Kim, W, Gao, Z.-G, Jacobson, K.A, Han, G.W, Stevens, R.C, Jeong, L.S, Choi, S, Cherezov, V. | Deposit date: | 2022-05-16 | Release date: | 2022-08-31 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | GPCR Agonist-to-Antagonist Conversion: Enabling the Design of Nucleoside Functional Switches for the A 2A Adenosine Receptor. J.Med.Chem., 65, 2022
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1YSI
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![BU of 1ysi by Molmil](/molmil-images/mine/1ysi) | Solution structure of the anti-apoptotic protein Bcl-xL in complex with an acyl-sulfonamide-based ligand | Descriptor: | Apoptosis regulator Bcl-X, N-[(4'-FLUORO-1,1'-BIPHENYL-4-YL)CARBONYL]-3-NITRO-4-{[2-(PHENYLSULFANYL)ETHYL]AMINO}BENZENESULFONAMIDE | Authors: | Oltersdorf, T, Elmore, S.W, Shoemaker, A.R, Armstrong, R.C, Augeri, D.J, Belli, B.A, Bruncko, M, Deckwerth, T.L, Dinges, J, Hajduk, P.J, Joseph, M.K, Kitada, S, Korsmeyer, S.J, Kunzer, A.R, Letai, A, Li, C, Mitten, M.J, Nettesheim, D.G, Ng, S, Nimmer, P.M, O'Connor, J.M, Oleksijew, A, Petros, A.M, Reed, J.C, Shen, W, Tahir, S.K, Thompson, C.B, Tomaselli, K.J, Wang, B, Wendt, M.D, Zhang, H, Fesik, S.W, Rosenberg, S.H. | Deposit date: | 2005-02-08 | Release date: | 2005-06-07 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | An inhibitor of Bcl-2 family proteins induces regression of solid tumours Nature, 435, 2005
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8CYC
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![BU of 8cyc by Molmil](/molmil-images/mine/8cyc) | |
8DEN
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![BU of 8den by Molmil](/molmil-images/mine/8den) | Heme-Free Cytochrome Variant ApoCyt | Descriptor: | Soluble cytochrome b562 | Authors: | Hoffnagle, A.H, Eng, V.H, Tezcan, F.A. | Deposit date: | 2022-06-20 | Release date: | 2022-07-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Computationally Guided Redesign of a Heme-free Cytochrome with Native-like Structure and Stability. Biochemistry, 61, 2022
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2JBV
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![BU of 2jbv by Molmil](/molmil-images/mine/2jbv) | Crystal structure of choline oxidase reveals insights into the catalytic mechanism | Descriptor: | CHOLINE OXIDASE, DIMETHYL SULFOXIDE, UNKNOWN ATOM OR ION, ... | Authors: | Lountos, G.T, Fan, F, Gadda, G, Orville, A.M. | Deposit date: | 2006-12-13 | Release date: | 2007-12-25 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Role of Glu312 in Binding and Positioning of the Substrate for the Hydride Transfer Reaction in Choline Oxidase. Biochemistry, 47, 2008
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2JIF
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![BU of 2jif by Molmil](/molmil-images/mine/2jif) | Structure of human short-branched chain acyl-CoA dehydrogenase (ACADSB) | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, COENZYME A PERSULFIDE, ... | Authors: | Pike, A.C.W, Hozjan, V, Smee, C, Niesen, F.H, Kavanagh, K.L, Umeano, C, Turnbull, A.P, von Delft, F, Weigelt, J, Edwards, A, Arrowsmith, C.H, Sundstrom, M, Oppermann, U. | Deposit date: | 2007-02-28 | Release date: | 2007-04-03 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure of Human Short-Branched Chain Acyl-Coa Dehydrogenase To be Published
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8D1D
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![BU of 8d1d by Molmil](/molmil-images/mine/8d1d) | PROSS PETase | Descriptor: | CALCIUM ION, Poly(ethylene terephthalate) hydrolase | Authors: | Vongsouthi, V, Jackson, C.J, Tan, L. | Deposit date: | 2022-05-27 | Release date: | 2022-09-21 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | PROSS PETase To Be Published
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8DEP
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![BU of 8dep by Molmil](/molmil-images/mine/8dep) | Cryo-EM structure of the human reduced folate carrier, apo condition | Descriptor: | Digitonin, Reduced folate transporter,Soluble cytochrome b562 | Authors: | Wright, N.J, Fedor, J.G, Lee, S.-Y. | Deposit date: | 2022-06-21 | Release date: | 2022-09-21 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Methotrexate recognition by the human reduced folate carrier SLC19A1. Nature, 609, 2022
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8A63
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![BU of 8a63 by Molmil](/molmil-images/mine/8a63) | Cryo-EM structure of Listeria monocytogenes 50S ribosomal subunit. | Descriptor: | 1,4-DIAMINOBUTANE, 23S ribosomal RNA, 50S ribosomal protein L13, ... | Authors: | Koller, T.O, Crowe-McAuliffe, C, Wilson, D.N. | Deposit date: | 2022-06-16 | Release date: | 2022-11-02 | Last modified: | 2022-11-16 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural basis for HflXr-mediated antibiotic resistance in Listeria monocytogenes. Nucleic Acids Res., 50, 2022
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8DKE
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![BU of 8dke by Molmil](/molmil-images/mine/8dke) | |
7ZQX
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![BU of 7zqx by Molmil](/molmil-images/mine/7zqx) | Human galectin-3c in complex with a galactose derivative | Descriptor: | (2~{R},3~{R},4~{S},5~{R},6~{R})-2-(5-bromanylpyridin-3-yl)sulfanyl-6-(hydroxymethyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol, CHLORIDE ION, GLYCEROL, ... | Authors: | Zetterberg, F, Nilsson, U.J, Hakansson, M, Logan, D.T. | Deposit date: | 2022-05-03 | Release date: | 2022-11-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Discovery and Optimization of the First Highly Effective and Orally Available Galectin-3 Inhibitors for Treatment of Fibrotic Disease. J.Med.Chem., 65, 2022
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8CYJ
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![BU of 8cyj by Molmil](/molmil-images/mine/8cyj) | RBD of SARS-CoV-2 Spike protein in complex with pan-sarbecovirus nanobodies 2-10, 2-67, 2-62 and 1-25 | Descriptor: | Spike glycoprotein, pan-sarbecovirus nanobody 1-25, pan-sarbecovirus nanobody 2-10, ... | Authors: | Huang, W, Taylor, D. | Deposit date: | 2022-05-23 | Release date: | 2022-07-06 | Last modified: | 2022-07-13 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Superimmunity by pan-sarbecovirus nanobodies. Cell Rep, 39, 2022
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1YO0
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![BU of 1yo0 by Molmil](/molmil-images/mine/1yo0) | Proton Transfer from His200 in Human Carbonic Anhydrase II | Descriptor: | CHLORIDE ION, Carbonic anhydrase II, ZINC ION | Authors: | Bhatt, D, Tu, C, Fisher, S.Z, Hernandez Prada, J.A, McKenna, R, Silverman, D.N. | Deposit date: | 2005-01-26 | Release date: | 2005-09-20 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Proton transfer in a Thr200His mutant of human carbonic anhydrase II Proteins, 61, 2005
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