6WMO
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2WIP
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![BU of 2wip by Molmil](/molmil-images/mine/2wip) | STRUCTURE OF CDK2-CYCLIN A COMPLEXED WITH 8-ANILINO-1-METHYL-4,5-DIHYDRO- 1H-PYRAZOLO[4,3-H] QUINAZOLINE-3-CARBOXYLIC ACID | Descriptor: | 1-methyl-8-(phenylamino)-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxylic acid, CELL DIVISION PROTEIN KINASE 2, CYCLIN-A2, ... | Authors: | Brasca, M.G, Amboldi, N, Ballinari, D, Cameron, A.D, Casale, E, Cervi, G, Colombo, M, Colotta, F, Croci, V, Dalessio, R, Fiorentini, F, Isacchi, A, Mercurio, C, Moretti, W, Panzeri, A, Pastori, W, Pevarello, P, Quartieri, F, Roletto, F, Traquandi, G, Vianello, P, Vulpetti, A, Ciomei, M. | Deposit date: | 2009-05-14 | Release date: | 2009-07-28 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Identification of N,1,4,4-Tetramethyl-8-{[4-(4-Methylpiperazin-1-Yl)Phenyl]Amino}-4,5-Dihydro-1H-Pyrazolo[4,3-H]Quinazoline-3-Carboxamide (Pha-848125), a Potent, Orally Available Cyclin Dependent Kinase Inhibitor. J.Med.Chem., 52, 2009
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4JGJ
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![BU of 4jgj by Molmil](/molmil-images/mine/4jgj) | Crystal structure of the Ig-like D1 domain from mouse Carcinoembryogenic antigen-related cell adhesion molecule 15 (CEACAM15) [PSI-NYSGRC-005691] | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Carcinoembryonic antigen-related cell adhesion molecule 15, Unknown peptide | Authors: | Kumar, P.R, Bonanno, J, Ahmed, M, Banu, R, Bhosle, R, Calarese, D, Celikigil, A, Chamala, S, Chan, M.K, Chowdhury, S, Fiser, A, Garforth, S, Glenn, A.S, Hillerich, B, Khafizov, K, Love, J, Patel, H, Seidel, R, Stead, M, Toro, R, Nathenson, S.G, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC), Atoms-to-Animals: The Immune Function Network (IFN) | Deposit date: | 2013-03-01 | Release date: | 2013-03-13 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.6508 Å) | Cite: | Crystal structure of the Ig-like D1 domain of CEACAM15 from Mus musculus [NYSGRC-005691] to be published
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5KA3
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![BU of 5ka3 by Molmil](/molmil-images/mine/5ka3) | Protein Tyrosine Phosphatase 1B YAYA (Y152A, Y153A) mutant in complex with TCS401, closed state | Descriptor: | 2-(OXALYL-AMINO)-4,5,6,7-TETRAHYDRO-THIENO[2,3-C]PYRIDINE-3-CARBOXYLIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | Authors: | Choy, M.S, Peti, W, Page, R. | Deposit date: | 2016-06-01 | Release date: | 2017-03-08 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.141 Å) | Cite: | Conformational Rigidity and Protein Dynamics at Distinct Timescales Regulate PTP1B Activity and Allostery. Mol. Cell, 65, 2017
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5KGN
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![BU of 5kgn by Molmil](/molmil-images/mine/5kgn) | 1.95A resolution structure of independent phosphoglycerate mutase from C. elegans in complex with a macrocyclic peptide inhibitor (2d) | Descriptor: | 2,3-bisphosphoglycerate-independent phosphoglycerate mutase, CHLORIDE ION, GLYCEROL, ... | Authors: | Lovell, S, Mehzabeen, N, Battaile, K.P, Yu, H, Dranchak, P, MacArthur, R, Li, Z, Carlow, T, Suga, H, Inglese, J. | Deposit date: | 2016-06-13 | Release date: | 2017-04-05 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Macrocycle peptides delineate locked-open inhibition mechanism for microorganism phosphoglycerate mutases. Nat Commun, 8, 2017
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3P31
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3P3Q
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![BU of 3p3q by Molmil](/molmil-images/mine/3p3q) | Crystal Structure of MmoQ Response regulator from Methylococcus capsulatus str. Bath at the resolution 2.4A, Northeast Structural Genomics Consortium Target McR175M | Descriptor: | MmoQ, SODIUM ION, SULFATE ION | Authors: | Kuzin, A.P, Vorobiev, S.M, Abashidze, M, Seetharaman, J, Janjua, J, Xiao, R, Foote, E.L, Ciccosanti, C, Wang, H, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2010-10-05 | Release date: | 2010-11-10 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Northeast Structural Genomics Consortium Target McR175M To be Published
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6WQ7
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![BU of 6wq7 by Molmil](/molmil-images/mine/6wq7) | Carbonic Anhydrase II Complexed with 2-((3-Aminopropyl)(phenethyl)amino)-N-(4-fluorobenzyl)-N-(4-sulfamoylphenethyl)acetamide | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Carbonic anhydrase 2, N~2~-(3-aminopropyl)-N-[(4-fluorophenyl)methyl]-N~2~-(2-phenylethyl)-N-[2-(4-sulfamoylphenyl)ethyl]glycinamide, ... | Authors: | Andring, J.T, Combs, J.E, Lomelino, C, McKenna, R. | Deposit date: | 2020-04-28 | Release date: | 2020-06-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.304 Å) | Cite: | Sulfonamide Inhibitors of Human Carbonic Anhydrases Designed through a Three-Tails Approach: Improving Ligand/Isoform Matching and Selectivity of Action. J.Med.Chem., 63, 2020
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7XEJ
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![BU of 7xej by Molmil](/molmil-images/mine/7xej) | SufS with D-cysteine for 5 min | Descriptor: | (2~{S})-2-[(~{E})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]-3-sulfanyl-propanoic acid, 1,2-ETHANEDIOL, Cysteine desulfurase SufS, ... | Authors: | Nakamiura, R, Fujishiro, T. | Deposit date: | 2022-03-31 | Release date: | 2023-04-05 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | X-ray crystallographic snapshots of the thioazolidine formation upon the PLP during inhibition of SufS by D-cysteine to be published
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4JCI
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![BU of 4jci by Molmil](/molmil-images/mine/4jci) | Crystal structure of csal_2705, a putative hydroxyproline epimerase from CHROMOHALOBACTER SALEXIGENS (TARGET EFI-506486), SPACE GROUP P212121, unliganded | Descriptor: | Proline racemase, SODIUM ION | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Stead, M, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2013-02-21 | Release date: | 2013-03-13 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of csal_2705, a putative hydroxyproline epimerase from CHROMOHALOBACTER SALEXIGENS (TARGET EFI-506486), space group P212121, unliganded To be Published
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2C0Y
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![BU of 2c0y by Molmil](/molmil-images/mine/2c0y) | THE CRYSTAL STRUCTURE OF A CYS25ALA MUTANT OF HUMAN PROCATHEPSIN S | Descriptor: | PROCATHEPSIN S | Authors: | Kaulmann, G, Palm, G.J, Schilling, K, Hilgenfeld, R, Wiederanders, B. | Deposit date: | 2005-09-08 | Release date: | 2006-11-08 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The Crystal Structure of a Cys25 -> Ala Mutant of Human Procathepsin S Elucidates Enzyme-Prosequence Interactions. Protein Sci., 15, 2006
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5JXG
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![BU of 5jxg by Molmil](/molmil-images/mine/5jxg) | Structure of the unliganded form of the proprotein convertase furin. | Descriptor: | CALCIUM ION, CHLORIDE ION, Furin, ... | Authors: | Dahms, S.O, Arciniega, M, Steinmetzer, T, Huber, R, Than, M.E. | Deposit date: | 2016-05-13 | Release date: | 2016-10-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure of the unliganded form of the proprotein convertase furin suggests activation by a substrate-induced mechanism. Proc.Natl.Acad.Sci.USA, 113, 2016
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1AQW
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![BU of 1aqw by Molmil](/molmil-images/mine/1aqw) | GLUTATHIONE S-TRANSFERASE IN COMPLEX WITH GLUTATHIONE | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLUTATHIONE, GLUTATHIONE S-TRANSFERASE | Authors: | Prade, L, Huber, R, Manoharan, T.H, Fahl, W.E, Reuter, W. | Deposit date: | 1997-08-03 | Release date: | 1998-03-18 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structures of class pi glutathione S-transferase from human placenta in complex with substrate, transition-state analogue and inhibitor. Structure, 5, 1997
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1R8H
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![BU of 1r8h by Molmil](/molmil-images/mine/1r8h) | Comparison of the structure and DNA binding properties of the E2 proteins from an oncogenic and a non-oncogenic human papillomavirus | Descriptor: | PHOSPHATE ION, Regulatory protein E2 | Authors: | Dell, G, Wilkinson, K.W, Tranter, R, Parish, J, Brady, R.L, Gaston, K. | Deposit date: | 2003-10-24 | Release date: | 2003-12-23 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Comparison of the structure and DNA-binding properties of the E2 proteins from an oncogenic and a non-oncogenic human papillomavirus. J.Mol.Biol., 334, 2003
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2XCI
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![BU of 2xci by Molmil](/molmil-images/mine/2xci) | Membrane-embedded monofunctional glycosyltransferase WaaA of Aquifex aeolicus, substrate-free form | Descriptor: | 3-DEOXY-D-MANNO-2-OCTULOSONIC ACID TRANSFERASE, BETA-MERCAPTOETHANOL, CHLORIDE ION, ... | Authors: | Schmidt, H, Hansen, G, Hilgenfeld, R, Mamat, U, Mesters, J.R. | Deposit date: | 2010-04-26 | Release date: | 2011-05-11 | Last modified: | 2019-05-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural and Mechanistic Analysis of the Membrane-Embedded Glycosyltransferase Waaa Required for Lipopolysaccharide Synthesis. Proc.Natl.Acad.Sci.USA, 109, 2012
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6W4B
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![BU of 6w4b by Molmil](/molmil-images/mine/6w4b) | The crystal structure of Nsp9 RNA binding protein of SARS CoV-2 | Descriptor: | Non-structural protein 9 | Authors: | Tan, K, Kim, Y, Jedrzejczak, R, Maltseva, N, Endres, M, Michalska, K, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2020-03-10 | Release date: | 2020-03-18 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | The crystal structure of Nsp9 replicase protein of COVID-19 To Be Published
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6W2S
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![BU of 6w2s by Molmil](/molmil-images/mine/6w2s) | Structure of the Cricket Paralysis Virus 5-UTR IRES (CrPV 5-UTR-IRES) bound to the small ribosomal subunit in the open state (Class 1) | Descriptor: | 18S rRNA, CrPV 5'-UTR IRES, Eukaryotic translation initiation factor 3 subunit A, ... | Authors: | Neupane, R, Pisareva, V, Rodriguez, C.F, Pisarev, A, Fernandez, I.S. | Deposit date: | 2020-03-08 | Release date: | 2020-04-22 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.47 Å) | Cite: | A complex IRES at the 5'-UTR of a viral mRNA assembles a functional 48S complex via an uAUG intermediate. Elife, 9, 2020
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5KA1
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![BU of 5ka1 by Molmil](/molmil-images/mine/5ka1) | Protein Tyrosine Phosphatase 1B Delta helix 7 mutant in complex with TCS401, closed state | Descriptor: | 2-(OXALYL-AMINO)-4,5,6,7-TETRAHYDRO-THIENO[2,3-C]PYRIDINE-3-CARBOXYLIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | Authors: | Choy, M.S, Peti, W, Page, R. | Deposit date: | 2016-06-01 | Release date: | 2017-03-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Conformational Rigidity and Protein Dynamics at Distinct Timescales Regulate PTP1B Activity and Allostery. Mol. Cell, 65, 2017
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6VXS
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![BU of 6vxs by Molmil](/molmil-images/mine/6vxs) | Crystal Structure of ADP ribose phosphatase of NSP3 from SARS CoV-2 | Descriptor: | 1,2-ETHANEDIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Non-structural protein 3, ... | Authors: | Kim, Y, Jedrzejczak, R, Maltseva, N, Endres, M, Mesecar, A, Michalska, K, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2020-02-24 | Release date: | 2020-03-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Crystal structures of SARS-CoV-2 ADP-ribose phosphatase: from the apo form to ligand complexes. Iucrj, 7, 2020
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5KBE
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![BU of 5kbe by Molmil](/molmil-images/mine/5kbe) | CRYSTAL STRUCTURE OF THE AROMATIC SENSOR DOMAIN OF MOPR IN COMPLEX WITH PHENOL | Descriptor: | MopR, PHENOL, ZINC ION | Authors: | Ray, S, Anand, R, Panjikar, S. | Deposit date: | 2016-06-03 | Release date: | 2016-07-13 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural Basis of Selective Aromatic Pollutant Sensing by the Effector Binding Domain of MopR, an NtrC Family Transcriptional Regulator. Acs Chem.Biol., 11, 2016
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5KBH
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![BU of 5kbh by Molmil](/molmil-images/mine/5kbh) | CRYSTAL STRUCTURE OF THE AROMATIC SENSOR DOMAIN OF MOPR IN COMPLEX WITH 3-CHLORO-PHENOL | Descriptor: | 3-CHLOROPHENOL, MopR, ZINC ION | Authors: | Ray, S, Anand, R, Panjikar, S. | Deposit date: | 2016-06-03 | Release date: | 2016-07-13 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Structural Basis of Selective Aromatic Pollutant Sensing by the Effector Binding Domain of MopR, an NtrC Family Transcriptional Regulator. Acs Chem.Biol., 11, 2016
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5KGM
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![BU of 5kgm by Molmil](/molmil-images/mine/5kgm) | 2.95A resolution structure of Apo independent phosphoglycerate mutase from C. elegans (monoclinic form) | Descriptor: | 2,3-bisphosphoglycerate-independent phosphoglycerate mutase, CHLORIDE ION, MANGANESE (II) ION, ... | Authors: | Lovell, S, Mehzabeen, N, Battaile, K.P, Yu, H, Dranchak, P, MacArthur, R, Li, Z, Carlow, T, Suga, H, Inglese, J. | Deposit date: | 2016-06-13 | Release date: | 2017-04-05 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Macrocycle peptides delineate locked-open inhibition mechanism for microorganism phosphoglycerate mutases. Nat Commun, 8, 2017
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6W2T
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![BU of 6w2t by Molmil](/molmil-images/mine/6w2t) | Structure of the Cricket Paralysis Virus 5-UTR IRES (CrPV 5-UTR-IRES) bound to the small ribosomal subunit in the closed state (Class 2) | Descriptor: | 18S rRNA, CrPV 5'-UTR IRES, Eukaryotic translation initiation factor 3 subunit A, ... | Authors: | Neupane, R, Pisareva, V, Rodriguez, C.F, Pisarev, A, Fernandez, I.S. | Deposit date: | 2020-03-08 | Release date: | 2020-04-22 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.36 Å) | Cite: | A complex IRES at the 5'-UTR of a viral mRNA assembles a functional 48S complex via an uAUG intermediate. Elife, 9, 2020
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5KBP
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![BU of 5kbp by Molmil](/molmil-images/mine/5kbp) | The crystal structure of an alpha-mannosidase from Enterococcus faecalis V583 | Descriptor: | Glycosyl hydrolase, family 38, SULFATE ION | Authors: | Tan, K, Chhor, G, Jedrzejczak, R, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2016-06-03 | Release date: | 2016-07-13 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The crystal structure of an alpha-mannosidase from Enterococcus faecalis V583 To Be Published
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4JBB
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![BU of 4jbb by Molmil](/molmil-images/mine/4jbb) | Crystal structure of Glutathione S-transferase A6TBY7(Target EFI-507184) from Klebsiella pneumoniae MGH 78578, GSH complex | Descriptor: | CHLORIDE ION, FORMIC ACID, GLUTATHIONE, ... | Authors: | Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Zencheck, W.D, Imker, H.J, Al Obaidi, N, Stead, M, Love, J, Gerlt, J.A, Armstrong, R.N, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2013-02-19 | Release date: | 2013-03-20 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Crystal Structure of Glutathione S-Transferase A6Tby7 (Target Efi-507184) from Klebsiella Pneumoniae To be Published
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