5CTN
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![BU of 5ctn by Molmil](/molmil-images/mine/5ctn) | Structure of BPu1 beta-lactamase | Descriptor: | (2~{S},3~{R})-3-methyl-2-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-4-[(3~{S},5~{S})-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl]sulfanyl-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid, Beta-lactamase, CITRATE ANION | Authors: | Smith, C.A, Vakulenko, S.B. | Deposit date: | 2015-07-24 | Release date: | 2015-11-25 | Last modified: | 2016-10-05 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Class D beta-lactamases do exist in Gram-positive bacteria. Nat.Chem.Biol., 12, 2016
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5DVP
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![BU of 5dvp by Molmil](/molmil-images/mine/5dvp) | Crystal structure of Mycobacterium tuberculosis L,D-transpeptidase 2 with Doripenem adduct | Descriptor: | (2S,3R,4S)-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-4-({(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl}sulfanyl)-3,4-dihydro-2H-pyrrole-5-carboxylic acid, L,D-transpeptidase 2, PHOSPHONOACETALDEHYDE, ... | Authors: | Kumar, P, Lamichhane, G. | Deposit date: | 2015-09-21 | Release date: | 2016-09-28 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Non-classical transpeptidases yield insight into new antibacterials. Nat. Chem. Biol., 13, 2017
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5YL3
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![BU of 5yl3 by Molmil](/molmil-images/mine/5yl3) | Crystal structure of horse heart myoglobin reconstituted with manganese porphycene in resting state at pH 8.5 | Descriptor: | Myoglobin, PORPHYCENE CONTAINING MN, SULFATE ION | Authors: | Oohora, K, Meichin, H, Kihira, Y, Sugimoto, H, Shiro, Y, Hayashi, T. | Deposit date: | 2017-10-17 | Release date: | 2017-12-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Manganese(V) Porphycene Complex Responsible for Inert C-H Bond Hydroxylation in a Myoglobin Matrix. J. Am. Chem. Soc., 139, 2017
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6PXX
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![BU of 6pxx by Molmil](/molmil-images/mine/6pxx) | Class D beta-lactamase in complex with beta-lactam antibiotic | Descriptor: | (2~{S},3~{R})-3-methyl-2-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-4-[(3~{S},5~{S})-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl]sulfanyl-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid, 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | van den Akker, F, Kumar, V. | Deposit date: | 2019-07-28 | Release date: | 2019-10-09 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural Analysis of The OXA-48 Carbapenemase Bound to A "Poor" Carbapenem Substrate, Doripenem. Antibiotics, 8, 2019
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3IQA
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![BU of 3iqa by Molmil](/molmil-images/mine/3iqa) | Crystal Structure of BlaC covalently bound with Doripenem | Descriptor: | (2S,3R,4S)-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-4-({(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl}sulfanyl)-3,4-dihydro-2H-pyrrole-5-carboxylic acid, Beta-lactamase, PHOSPHATE ION | Authors: | Tremblay, L.W, Blanchard, J.S. | Deposit date: | 2009-08-19 | Release date: | 2010-04-14 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Biochemical and structural characterization of Mycobacterium tuberculosis beta-lactamase with the carbapenems ertapenem and doripenem. Biochemistry, 49, 2010
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3ISG
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![BU of 3isg by Molmil](/molmil-images/mine/3isg) | Structure of the class D beta-lactamase OXA-1 in complex with doripenem | Descriptor: | (2S,3R,4S)-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-4-({(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl}sulfanyl)-3,4-dihydro-2H-pyrrole-5-carboxylic acid, (4S)-2-METHYL-2,4-PENTANEDIOL, Beta-lactamase OXA-1 | Authors: | Powers, R.A. | Deposit date: | 2009-08-25 | Release date: | 2009-12-01 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | The 1.4 A crystal structure of the class D beta-lactamase OXA-1 complexed with doripenem. Biochemistry, 48, 2009
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6PW8
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![BU of 6pw8 by Molmil](/molmil-images/mine/6pw8) | |
3WJM
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![BU of 3wjm by Molmil](/molmil-images/mine/3wjm) | Crystal structure of Bombyx mori Sp2/Sp3 heterohexamer | Descriptor: | Arylphorin, Silkworm storage protein, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Yuan, Y.A, Hou, Y. | Deposit date: | 2013-10-11 | Release date: | 2014-09-24 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure of Bombyx mori arylphorins reveals a 3:3 heterohexamer with multiple papain cleavage sites Protein Sci., 23, 2014
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5JFT
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![BU of 5jft by Molmil](/molmil-images/mine/5jft) | Zebra Fish Caspase-3 | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ACE-ASP-GLU-VAL-ASK, ... | Authors: | Tucker, M.B, MacKenzie, S.H, Maciag, J.J, Dirscherl, H, Swartz, P.D, Yoder, J.A, Hamilton, P.T, Clark, A.C. | Deposit date: | 2016-04-19 | Release date: | 2016-10-26 | Last modified: | 2016-11-02 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Phage display and structural studies reveal plasticity in substrate specificity of caspase-3a from zebrafish. Protein Sci., 25, 2016
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1N4K
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![BU of 1n4k by Molmil](/molmil-images/mine/1n4k) | Crystal structure of the inositol 1,4,5-trisphosphate receptor binding core in complex with IP3 | Descriptor: | D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, Inositol 1,4,5-trisphosphate receptor type 1 | Authors: | Bosanac, I, Alattia, J.R, Mal, T.K, Chan, J, Talarico, S, Tong, F.K, Tong, K.I, Yoshikawa, F, Furuichi, T, Iwai, M, Michikawa, T, Mikoshiba, K, Ikura, M. | Deposit date: | 2002-10-31 | Release date: | 2002-12-25 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure of the inositol 1,4,5-trisphosphate receptor
binding core in complex with its ligand. Nature, 420, 2002
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2K87
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![BU of 2k87 by Molmil](/molmil-images/mine/2k87) | NMR STRUCTURE OF A PUTATIVE RNA BINDING PROTEIN (SARS1) FROM SARS CORONAVIRUS | Descriptor: | Non-structural protein 3 of Replicase polyprotein 1a | Authors: | Serrano, P, Wuthrich, K, Johnson, M.A, Chatterjee, A, Wilson, I, Pedrini, B.F, Joint Center for Structural Genomics (JCSG) | Deposit date: | 2008-09-02 | Release date: | 2008-09-16 | Last modified: | 2024-05-08 | Method: | SOLUTION NMR | Cite: | Nuclear magnetic resonance structure of the nucleic acid-binding domain of severe acute respiratory syndrome coronavirus nonstructural protein 3. J.Virol., 83, 2009
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3T8S
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![BU of 3t8s by Molmil](/molmil-images/mine/3t8s) | Apo and InsP3-bound Crystal Structures of the Ligand-Binding Domain of an InsP3 Receptor | Descriptor: | D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, Inositol 1,4,5-trisphosphate receptor type 1 | Authors: | Lin, C, Baek, K, Lu, Z. | Deposit date: | 2011-08-01 | Release date: | 2011-09-07 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.77 Å) | Cite: | Apo and InsP(3)-bound crystal structures of the ligand-binding domain of an InsP(3) receptor. Nat.Struct.Mol.Biol., 18, 2011
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2WCT
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![BU of 2wct by Molmil](/molmil-images/mine/2wct) | human SARS coronavirus unique domain (triclinic form) | Descriptor: | NON-STRUCTURAL PROTEIN 3 | Authors: | Tan, J, Vonrhein, C, Smart, O.S, Bricogne, G, Bollati, M, Hansen, G, Mesters, J.R, Hilgenfeld, R. | Deposit date: | 2009-03-16 | Release date: | 2009-05-26 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.79 Å) | Cite: | The Sars-Unique Domain (Sud) of Sars Coronavirus Contains Two Macrodomains that Bind G-Quadruplexes. Plos Pathog., 5, 2009
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4GUA
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![BU of 4gua by Molmil](/molmil-images/mine/4gua) | Alphavirus P23pro-zbd | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Non-structural polyprotein, SULFATE ION, ... | Authors: | Shin, G, Yost, S, Miller, M, Marcotrigiano, J. | Deposit date: | 2012-08-29 | Release date: | 2012-10-03 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.854 Å) | Cite: | Structural and functional insights into alphavirus polyprotein processing and pathogenesis. Proc.Natl.Acad.Sci.USA, 109, 2012
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9AZX
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![BU of 9azx by Molmil](/molmil-images/mine/9azx) | Crystal structure of SARS-CoV-2 (Covid-19) Nsp3 macrodomain in complex with NDPr | Descriptor: | Non-structural protein 3, {(2R,3S,4R,5R)-5-[(8S)-4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl]-5-cyano-3,4-dihydroxyoxolan-2-yl}methyl [(2R,3S,4R,5R)-3,4,5-trihydroxyoxolan-2-yl]methyl dihydrogen diphosphate | Authors: | Wallace, S.D, Bagde, S.R, Fromme, J.C. | Deposit date: | 2024-03-11 | Release date: | 2024-05-01 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.395 Å) | Cite: | GS-441524-Diphosphate-Ribose Derivatives as Nanomolar Binders and Fluorescence Polarization Tracers for SARS-CoV-2 and Other Viral Macrodomains. Acs Chem.Biol., 19, 2024
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7XN4
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![BU of 7xn4 by Molmil](/molmil-images/mine/7xn4) | Cryo-EM structure of CopC-CaM-caspase-3 with NAD+ | Descriptor: | Arginine ADP-riboxanase CopC, Calmodulin-1, Caspase-3, ... | Authors: | Zhang, K, Peng, T, Tao, X.Y, Tian, M, Li, Y.X, Wang, Z, Ma, S.F, Hu, S.F, Pan, X, Xue, J, Luo, J.W, Wu, Q.L, Fu, Y, Li, S. | Deposit date: | 2022-04-28 | Release date: | 2022-12-14 | Last modified: | 2022-12-28 | Method: | ELECTRON MICROSCOPY (3.35 Å) | Cite: | Structural insights into caspase ADPR deacylization catalyzed by a bacterial effector and host calmodulin. Mol.Cell, 82, 2022
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7XN6
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![BU of 7xn6 by Molmil](/molmil-images/mine/7xn6) | Cryo-EM structure of CopC-CaM-caspase-3 with ADPR-deacylization | Descriptor: | ADENOSINE-5-DIPHOSPHORIBOSE, Arginine ADP-riboxanase CopC, Calmodulin-1, ... | Authors: | Zhang, K, Peng, T, Tao, X.Y, Tian, M, Li, Y.X, Wang, Z, Ma, S.F, Hu, S.F, Pan, X, Xue, J, Luo, J.W, Wu, Q.L, Fu, Y, Li, S. | Deposit date: | 2022-04-28 | Release date: | 2022-12-14 | Last modified: | 2022-12-28 | Method: | ELECTRON MICROSCOPY (3.45 Å) | Cite: | Structural insights into caspase ADPR deacylization catalyzed by a bacterial effector and host calmodulin. Mol.Cell, 82, 2022
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7XN5
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![BU of 7xn5 by Molmil](/molmil-images/mine/7xn5) | Cryo-EM structure of CopC-CaM-caspase-3 with ADPR | Descriptor: | ADENOSINE-5-DIPHOSPHORIBOSE, Arginine ADP-riboxanase CopC, Calmodulin-1, ... | Authors: | Zhang, K, Peng, T, Tao, X.Y, Tian, M, Li, Y.X, Wang, Z, Ma, S.F, Hu, S.F, Pan, X, Xue, J, Luo, J.W, Wu, Q.L, Fu, Y, Li, S. | Deposit date: | 2022-04-28 | Release date: | 2022-12-14 | Last modified: | 2022-12-28 | Method: | ELECTRON MICROSCOPY (3.18 Å) | Cite: | Structural insights into caspase ADPR deacylization catalyzed by a bacterial effector and host calmodulin. Mol.Cell, 82, 2022
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5NRL
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![BU of 5nrl by Molmil](/molmil-images/mine/5nrl) | Structure of a pre-catalytic spliceosome. | Descriptor: | 13 kDa ribonucleoprotein-associated protein, 23 kDa U4/U6.U5 small nuclear ribonucleoprotein component, 66 kDa U4/U6.U5 small nuclear ribonucleoprotein component, ... | Authors: | Plaschka, C, Lin, P.-C, Nagai, K. | Deposit date: | 2017-04-24 | Release date: | 2017-05-31 | Last modified: | 2023-05-24 | Method: | ELECTRON MICROSCOPY (7.2 Å) | Cite: | Structure of a pre-catalytic spliceosome. Nature, 546, 2017
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8CB3
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![BU of 8cb3 by Molmil](/molmil-images/mine/8cb3) | SARS-CoV Macro domain complexed with 3-(N-morpholino)propanesulfonic acid | Descriptor: | 3[N-MORPHOLINO]PROPANE SULFONIC ACID, GLYCEROL, Papain-like protease nsp3 | Authors: | Morin, B, Ferron, F, Coutard, B, Canard, B, Marseilles Structural Genomics Program @ AFMB (MSGP) | Deposit date: | 2023-01-25 | Release date: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.572 Å) | Cite: | SARS-CoV Macro domain complexed with 3-(N-morpholino)propanesulfonic acid To Be Published
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5UTV
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![BU of 5utv by Molmil](/molmil-images/mine/5utv) | |
8CX9
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![BU of 8cx9 by Molmil](/molmil-images/mine/8cx9) | Structure of the SARS-COV2 PLpro (C111S) in complex with a dimeric Ubv that inhibits activity by an unusual allosteric mechanism | Descriptor: | BROMIDE ION, CHLORIDE ION, Papain-like protease nsp3, ... | Authors: | Singer, A.U, Slater, C.L, Patel, A, Russel, R, Mark, B.L, Sidhu, S.S. | Deposit date: | 2022-05-20 | Release date: | 2023-01-25 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Ubiquitin variants potently inhibit SARS-CoV-2 PLpro and viral replication via a novel site distal to the protease active site. Plos Pathog., 18, 2022
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8FWN
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![BU of 8fwn by Molmil](/molmil-images/mine/8fwn) | Crystal structure of SARS-CoV-2 papain-like protease C111S mutant | Descriptor: | ACETATE ION, CHLORIDE ION, GLYCEROL, ... | Authors: | Bezerra, E.H.S, Soprano, A.S, Tonoli, C.C.C, Prado, P.F.V, da Silva, J.C, Franchini, K.G, Trivella, D.B.B, Benedetti, C.E. | Deposit date: | 2023-01-23 | Release date: | 2023-05-17 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal structure of SARS-CoV-2 papain-like protease C111S mutant To Be Published
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8HDA
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![BU of 8hda by Molmil](/molmil-images/mine/8hda) | |
2N1U
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![BU of 2n1u by Molmil](/molmil-images/mine/2n1u) | Structure of SAP30L corepressor protein | Descriptor: | Histone deacetylase complex subunit SAP30L, ZINC ION | Authors: | Tossavainen, H, Permi, P. | Deposit date: | 2015-04-23 | Release date: | 2015-11-25 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Redox-dependent disulfide bond formation in SAP30L corepressor protein: Implications for structure and function. Protein Sci., 25, 2016
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