8FMU
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![BU of 8fmu by Molmil](/molmil-images/mine/8fmu) | Crystal structure of human Brachyury G177D variant in complex with SJF-4601 | Descriptor: | N-(3-chloro-4-fluorophenyl)-3-[4-(dimethylamino)butanamido]-4-methoxybenzamide, T-box transcription factor T | Authors: | Bebenek, A, Linhares, B, Jaime-Figueroa, S, Butrin, A, Crews, C. | Deposit date: | 2022-12-24 | Release date: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Discovery and Development of the First Selective Brachyury Degrader To Be Published
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1A0Z
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![BU of 1a0z by Molmil](/molmil-images/mine/1a0z) | HEMOGLOBIN (VAL BETA1 MET) MUTANT | Descriptor: | HEMOGLOBIN (ALPHA CHAIN), HEMOGLOBIN (BETA CHAIN), PROTOPORPHYRIN IX CONTAINING FE | Authors: | Kavanaugh, J.S, Arnone, A. | Deposit date: | 1997-12-08 | Release date: | 1998-03-18 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | High-resolution crystal structures of human hemoglobin with mutations at tryptophan 37beta: structural basis for a high-affinity T-state,. Biochemistry, 37, 1998
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8DHK
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![BU of 8dhk by Molmil](/molmil-images/mine/8dhk) | |
1AKR
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![BU of 1akr by Molmil](/molmil-images/mine/1akr) | G61A OXIDIZED FLAVODOXIN MUTANT | Descriptor: | FLAVIN MONONUCLEOTIDE, FLAVODOXIN | Authors: | Mccarthy, A, Walsh, M, Higgins, T. | Deposit date: | 1997-05-27 | Release date: | 1998-05-27 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Modulation of the redox potentials of FMN in Desulfovibrio vulgaris flavodoxin: thermodynamic properties and crystal structures of glycine-61 mutants. Biochemistry, 37, 1998
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1BCU
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![BU of 1bcu by Molmil](/molmil-images/mine/1bcu) | ALPHA-THROMBIN COMPLEXED WITH HIRUGEN AND PROFLAVIN | Descriptor: | ALPHA-THROMBIN, HIRUGEN, PROFLAVIN | Authors: | Conti, E, Rivetti, C, Wonacott, A, Brick, P. | Deposit date: | 1998-05-02 | Release date: | 1998-10-14 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | X-ray and spectrophotometric studies of the binding of proflavin to the S1 specificity pocket of human alpha-thrombin. FEBS Lett., 425, 1998
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4RTE
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![BU of 4rte by Molmil](/molmil-images/mine/4rte) | |
4S38
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![BU of 4s38 by Molmil](/molmil-images/mine/4s38) | IspG in complex MEcPP | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2C-METHYL-D-ERYTHRITOL 2,4-CYCLODIPHOSPHATE, 4-hydroxy-3-methylbut-2-en-1-yl diphosphate synthase, ... | Authors: | Quitterer, F, Frank, A, Wang, K, Guodong, R, O'Dowd, B, Li, J, Guerra, F, Abdel-Azeim, S, Bacher, A, Eppinger, J, Oldfield, E, Groll, M. | Deposit date: | 2015-01-26 | Release date: | 2015-04-29 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Atomic-Resolution Structures of Discrete Stages on the Reaction Coordinate of the [Fe4S4] Enzyme IspG (GcpE). J.Mol.Biol., 427, 2015
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4RZ7
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![BU of 4rz7 by Molmil](/molmil-images/mine/4rz7) | Crystal Structure of PVX_084705 with bound PCI32765 | Descriptor: | 1-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}prop-2-en-1-one, UNKNOWN ATOM OR ION, cGMP-dependent protein kinase, ... | Authors: | Jiang, D.Q, Tempel, W, Loppnau, P, Graslund, S, He, H, Seitova, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Hutchinson, A, El Bakkouri, M, Amani, M, Structural Genomics Consortium (SGC) | Deposit date: | 2014-12-18 | Release date: | 2015-01-14 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.351 Å) | Cite: | Crystal Structure of PVX_084705 with bound PCI32765 To be Published
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4S3D
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![BU of 4s3d by Molmil](/molmil-images/mine/4s3d) | IspG in complex with PPi | Descriptor: | 4-hydroxy-3-methylbut-2-en-1-yl diphosphate synthase, DIPHOSPHATE, FE3-S4 CLUSTER | Authors: | Quitterer, F, Frank, A, Wang, K, Rao, G, O'Dowd, B, Li, J, Guerra, F, Abdel-Azeim, S, Bacher, A, Eppinger, J, Oldfield, E, Groll, M. | Deposit date: | 2015-01-26 | Release date: | 2015-04-29 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Atomic-Resolution Structures of Discrete Stages on the Reaction Coordinate of the [Fe4S4] Enzyme IspG (GcpE). J.Mol.Biol., 427, 2015
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3DCL
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![BU of 3dcl by Molmil](/molmil-images/mine/3dcl) | Crystal structure of TM1086 | Descriptor: | CHLORIDE ION, POTASSIUM ION, SULFATE ION, ... | Authors: | Chruszcz, M, Evdokimova, E, Kudritska, M, Savchenko, A, Edwards, A, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2008-06-03 | Release date: | 2008-08-05 | Last modified: | 2022-04-13 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Crystal structure of TM1086 To be Published
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8GVB
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![BU of 8gvb by Molmil](/molmil-images/mine/8gvb) | The complex between public TCR TD08 and HLA-A24 bound to HIV-1 Nef138-8 peptide | Descriptor: | 8-mer peptide from Protein Nef, Beta-2-microglobulin, MHC class I antigen, ... | Authors: | Gao, G.F, Shi, Y, Ma, K, Chai, Y, Guan, J, Qi, J, Tan, S, Dong, T, Iwamoto, A, Kawana-Tachikawa, A. | Deposit date: | 2022-09-14 | Release date: | 2022-10-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Molecular Basis for the Recognition of HIV Nef138-8 Epitope by a Pair of Human Public T Cell Receptors. J Immunol., 209, 2022
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8GVG
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![BU of 8gvg by Molmil](/molmil-images/mine/8gvg) | The complex between public TCR TD08 and HLA-A24 bound to HIV-1 Nef138-8 (2F) peptide | Descriptor: | Beta-2-microglobulin, MHC class I antigen, TD08 TCR alpha chain, ... | Authors: | Gao, G.F, Shi, Y, Ma, K, Chai, Y, Guan, J, Qi, J, Tan, S, Dong, T, Iwamoto, A, Kawana-Tachikawa, A. | Deposit date: | 2022-09-15 | Release date: | 2022-10-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.37 Å) | Cite: | Molecular Basis for the Recognition of HIV Nef138-8 Epitope by a Pair of Human Public T Cell Receptors. J Immunol., 209, 2022
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8GVI
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![BU of 8gvi by Molmil](/molmil-images/mine/8gvi) | The complex between H25-11 TCR and HLA-A24 bound to HIV-1 Nef138-8 peptide | Descriptor: | 8-mer peptide from Protein Nef, Beta-2-microglobulin, H25-11 TCR alpha chain, ... | Authors: | Gao, G.F, Shi, Y, Tan, S, Ma, K, Chai, Y, Qi, J, Kawana-Tachikawa, A, Iwamoto, A, Dong, T, Guan, J. | Deposit date: | 2022-09-15 | Release date: | 2022-10-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Molecular Basis for the Recognition of HIV Nef138-8 Epitope by a Pair of Human Public T Cell Receptors. J Immunol., 209, 2022
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5UP5
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![BU of 5up5 by Molmil](/molmil-images/mine/5up5) | Solution structure of the de novo mini protein EHEE_rd1_0284 | Descriptor: | EHEE_rd1_0284 | Authors: | Houliston, S, Rocklin, G.J, Lemak, A, Carter, L, Chidyausiku, T.M, Baker, D, Arrowsmith, C.H. | Deposit date: | 2017-02-01 | Release date: | 2017-07-26 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Global analysis of protein folding using massively parallel design, synthesis, and testing. Science, 357, 2017
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8GZ5
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![BU of 8gz5 by Molmil](/molmil-images/mine/8gz5) | Crystal structure of neutralizing VHH P17 in complex with SARS-CoV-2 Alpha variant spike receptor-binding domain | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Nanobody P17, ... | Authors: | Yamaguchi, K, Anzai, I, Maeda, R, Moriguchi, M, Watanabe, T, Imura, A, Takaori-Kondo, A, Inoue, T. | Deposit date: | 2022-09-25 | Release date: | 2022-12-07 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural insights into the rational design of a nanobody that binds with high affinity to the SARS-CoV-2 spike variant. J.Biochem., 173, 2023
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3DCA
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![BU of 3dca by Molmil](/molmil-images/mine/3dca) | Crystal structure of the RPA0582- protein of unknown function from Rhodopseudomonas palustris- a structural genomics target | Descriptor: | RPA0582, SULFATE ION | Authors: | Sledz, P, Wang, S, Chruszcz, M, Yim, V, Kudritska, M, Evdokimova, E, Turk, D, Savchenko, A, Edwards, A, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2008-06-03 | Release date: | 2008-08-05 | Last modified: | 2022-04-13 | Method: | X-RAY DIFFRACTION (3.35 Å) | Cite: | Crystal structure of the RPA0582- protein of unknown function from Rhodopseudomonas palustris- a structural genomics target To be Published
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4TQG
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![BU of 4tqg by Molmil](/molmil-images/mine/4tqg) | Crystal structure of Megavirus UDP-GlcNAc 4,6-dehydratase, 5-epimerase Mg534 | Descriptor: | NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Putative dTDP-d-glucose 4 6-dehydratase | Authors: | Jeudy, S, Piacente, F, De Castro, C, Molinaro, A, Salis, A, Damonte, G, Bernardi, C, Tonetti, M, Claverie, J.M, Abergel, C. | Deposit date: | 2014-06-11 | Release date: | 2014-06-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Giant Virus Megavirus chilensis Encodes the Biosynthetic Pathway for Uncommon Acetamido Sugars. J.Biol.Chem., 289, 2014
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8DNC
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![BU of 8dnc by Molmil](/molmil-images/mine/8dnc) | CryoEM structure of the A. aeolicus WzmWzt transporter bound to the native O antigen and ADP | Descriptor: | 6-deoxy-3-O-methyl-alpha-D-mannopyranose-(1-3)-beta-D-rhamnopyranose-(1-2)-alpha-D-rhamnopyranose, ABC transporter, ADENOSINE-5'-DIPHOSPHATE, ... | Authors: | Spellmon, N, Muszynski, A, Vlach, J, Zimmer, J. | Deposit date: | 2022-07-11 | Release date: | 2022-09-21 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Molecular basis for polysaccharide recognition and modulated ATP hydrolysis by the O antigen ABC transporter. Nat Commun, 13, 2022
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8G62
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![BU of 8g62 by Molmil](/molmil-images/mine/8g62) | Papain-Like Protease of SARS CoV-2 in complex with remodilin NCGC 390004 | Descriptor: | 3-methoxy-5-(1-methylpiperidin-4-yl)-N-[4-(pyrrolidine-1-sulfonyl)phenyl]benzamide, ACETATE ION, CHLORIDE ION, ... | Authors: | Osipiuk, J, Tesar, C, Endres, M, Jedrzejczak, R, Luci, D, Kales, S, Simeonov, A, Rai, G, Drayman, N, Tay, S, Oakes, S, Rosner, M, Chen, B, Dulin, N, Solway, J, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID), Center for Structural Biology of Infectious Diseases (CSBID) | Deposit date: | 2023-02-14 | Release date: | 2023-02-22 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Papain-Like Protease of SARS CoV-2 in complex with remodilin NCGC 390004 To Be Published
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4S3F
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![BU of 4s3f by Molmil](/molmil-images/mine/4s3f) | IspG in complex with Inhibitor 8 (compound 1077) | Descriptor: | 4-hydroxy-3-methylbut-2-en-1-yl diphosphate synthase, FE3-S4 CLUSTER, but-3-yn-1-yl trihydrogen diphosphate | Authors: | Quitterer, F, Frank, A, Wang, K, Rao, G, O'Dowd, B, Li, J, Guerra, F, Abdel-Azeim, S, Bacher, A, Eppinger, J, Oldfield, E, Groll, M. | Deposit date: | 2015-01-26 | Release date: | 2015-04-29 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Atomic-Resolution Structures of Discrete Stages on the Reaction Coordinate of the [Fe4S4] Enzyme IspG (GcpE). J.Mol.Biol., 427, 2015
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3DB3
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![BU of 3db3 by Molmil](/molmil-images/mine/3db3) | Crystal structure of the tandem tudor domains of the E3 ubiquitin-protein ligase UHRF1 in complex with trimethylated histone H3-K9 peptide | Descriptor: | E3 ubiquitin-protein ligase UHRF1, Trimethylated histone H3-K9 peptide | Authors: | Walker, J.R, Avvakumov, G.V, Xue, S, Dong, A, Li, Y, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | Deposit date: | 2008-05-30 | Release date: | 2008-09-16 | Last modified: | 2012-04-18 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Recognition of multivalent histone states associated with heterochromatin by UHRF1 protein. J.Biol.Chem., 286, 2011
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4TR2
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![BU of 4tr2 by Molmil](/molmil-images/mine/4tr2) | Crystal structure of PvSUB1 | Descriptor: | CALCIUM ION, PHOSPHATE ION, Subtilisin-like 1 serine protease | Authors: | Giganti, D, Bouillon, A, Martinez, M, Weber, P, Girard-Blanc, C, Petres, S, Haouz, A, Barale, J.C, Alzari, P.M. | Deposit date: | 2014-06-13 | Release date: | 2014-09-17 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | A novel Plasmodium-specific prodomain fold regulates the malaria drug target SUB1 subtilase. Nat Commun, 5, 2014
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4S3A
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![BU of 4s3a by Molmil](/molmil-images/mine/4s3a) | IspG in complex with Intermediate I | Descriptor: | (3S)-1,3-dihydroxy-4-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}-2-methylbut-2-ylium, carbokation intermediate, 4-hydroxy-3-methylbut-2-en-1-yl diphosphate synthase, ... | Authors: | Quitterer, F, Frank, A, Wang, K, Rao, G, O'Dowd, B, Li, J, Guerra, F, Abdel-Azeim, S, Bacher, A, Eppinger, J, Oldfield, E, Groll, M. | Deposit date: | 2015-01-26 | Release date: | 2015-05-06 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Atomic-Resolution Structures of Discrete Stages on the Reaction Coordinate of the [Fe4S4] Enzyme IspG (GcpE). J.Mol.Biol., 427, 2015
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5KU6
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![BU of 5ku6 by Molmil](/molmil-images/mine/5ku6) | Crystal structure for the complex of human carbonic anhydrase IV and methazolamide | Descriptor: | ACETATE ION, Carbonic anhydrase 4, GLYCEROL, ... | Authors: | Chen, Z, Waheed, A, Di Cera, E, Sly, W.S. | Deposit date: | 2016-07-12 | Release date: | 2017-07-26 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Intrinsic thermodynamics of high affinity inhibitor binding to recombinant human carbonic anhydrase IV. Eur. Biophys. J., 47, 2018
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7X56
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![BU of 7x56 by Molmil](/molmil-images/mine/7x56) | A CBg-ParM filament with ADP | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ParM/StbA family protein | Authors: | Koh, A, Ali, S, Robinson, R, Narita, A. | Deposit date: | 2022-03-04 | Release date: | 2023-03-08 | Last modified: | 2024-06-26 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | A new actin-like filament from Clostridium botulinum exhibits a new system of filament turn over To Be Published
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