6EJX
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3W3W
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![BU of 3w3w by Molmil](/molmil-images/mine/3w3w) | Crystal structure of Kap121p bound to Ste12p | Descriptor: | Importin subunit beta-3, Protein STE12 | Authors: | Kobayashi, J, Matsuura, Y. | Deposit date: | 2012-12-28 | Release date: | 2013-04-10 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural basis for cell-cycle-dependent nuclear import mediated by the karyopherin Kap121p. J.Mol.Biol., 425, 2013
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6EN6
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![BU of 6en6 by Molmil](/molmil-images/mine/6en6) | Crystal structure B of the Angiotensin-1 converting enzyme N-domain in complex with a diprolyl inhibitor. | Descriptor: | (2~{S})-1-[(2~{S})-2-[[(1~{S})-1-[(2~{S})-1-[(2~{S})-2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl]pyrrolidin-2-yl]-2-oxidanyl-2-oxidanylidene-ethyl]amino]propanoyl]pyrrolidine-2-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Cozier, G.E, Acharya, K.R, Fienberg, S, Chibale, K, Sturrock, E.D. | Deposit date: | 2017-10-04 | Release date: | 2018-03-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The Design and Development of a Potent and Selective Novel Diprolyl Derivative That Binds to the N-Domain of Angiotensin-I Converting Enzyme. J. Med. Chem., 61, 2018
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6EKV
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4W5W
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![BU of 4w5w by Molmil](/molmil-images/mine/4w5w) | Rubisco activase from Arabidopsis thaliana | Descriptor: | Ribulose bisphosphate carboxylase/oxygenase activase, chloroplastic, SULFATE ION | Authors: | Hasse, D, Larsson, A.M, Andersson, I. | Deposit date: | 2014-08-19 | Release date: | 2015-04-08 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structure of Arabidopsis thaliana Rubisco activase Acta Crystallogr.,Sect.D, 71, 2015
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4W64
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![BU of 4w64 by Molmil](/molmil-images/mine/4w64) | Hcp1 protein from Acinetobacter baumannii AB0057 | Descriptor: | SULFATE ION, Type VI secretion system effector, Hcp1 family | Authors: | Ruiz, F.M, Romero, A. | Deposit date: | 2014-08-20 | Release date: | 2015-07-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Crystal Structure of Hcp from Acinetobacter baumannii: A Component of the Type VI Secretion System. Plos One, 10, 2015
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6EPB
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![BU of 6epb by Molmil](/molmil-images/mine/6epb) | Structure of Chitinase 42 from Trichoderma harzianum | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Endochitinase 42, ... | Authors: | Ramirez-Escudero, M, Jimenez-Ortega, E, Sanz-Aparicio, J. | Deposit date: | 2017-10-11 | Release date: | 2018-09-26 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Use of chitin and chitosan to produce new chitooligosaccharides by chitinase Chit42: enzymatic activity and structural basis of protein specificity. Microb. Cell Fact., 17, 2018
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3W82
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![BU of 3w82 by Molmil](/molmil-images/mine/3w82) | Human alpha-L-iduronidase in complex with iduronic acid | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-L-iduronidase, ... | Authors: | Maita, N, Tsukimura, T, Taniguchi, T, Saito, S, Ohno, K, Taniguchi, H, Sakuraba, H. | Deposit date: | 2013-03-11 | Release date: | 2013-08-21 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.76 Å) | Cite: | Human alpha-L-iduronidase uses its own N-glycan as a substrate-binding and catalytic module Proc.Natl.Acad.Sci.USA, 110, 2013
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6ENP
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![BU of 6enp by Molmil](/molmil-images/mine/6enp) | Atomic resolution structure of human RNase 6 in the presence of phosphate anions in P21 space group. | Descriptor: | CHLORIDE ION, PHOSPHATE ION, Ribonuclease K6, ... | Authors: | Prats-Ejarque, G, Moussaoui, M, Boix, E. | Deposit date: | 2017-10-05 | Release date: | 2018-10-24 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.042 Å) | Cite: | Characterization of an RNase with two catalytic centers. Human RNase6 catalytic and phosphate-binding site arrangement favors the endonuclease cleavage of polymeric substrates. Biochim Biophys Acta Gen Subj, 1863, 2019
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4W8K
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![BU of 4w8k by Molmil](/molmil-images/mine/4w8k) | Crystal structure of a putative Cas1 enzyme from Vibrio phage ICP1 | Descriptor: | Cas1 protein, POTASSIUM ION | Authors: | Stogios, P.J, Wawrzak, Z, Onopriyeno, O, Yim, V, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2014-08-25 | Release date: | 2014-09-17 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | To be published To Be Published
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4W9O
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![BU of 4w9o by Molmil](/molmil-images/mine/4w9o) | The Fk1 domain of FKBP51 in complex with (1S,5S,6R)-10-[(3,5-dichlorophenyl)sulfonyl]-5-[(1R)-1,2-dihydroxyethyl]-3-[2-(3,4-dimethoxyphenoxy)ethyl]-3,10-diazabicyclo[4.3.1]decan-2-one | Descriptor: | (1S,5S,6R)-10-[(3,5-dichlorophenyl)sulfonyl]-5-[(1R)-1,2-dihydroxyethyl]-3-[2-(3,4-dimethoxyphenoxy)ethyl]-3,10-diazabicyclo[4.3.1]decan-2-one, ACETATE ION, Peptidyl-prolyl cis-trans isomerase FKBP5 | Authors: | Pomplun, S, Wang, Y, Kirschner, K, Kozany, C, Bracher, A, Hausch, F. | Deposit date: | 2014-08-27 | Release date: | 2014-12-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.27 Å) | Cite: | Rational Design and Asymmetric Synthesis of Potent and Neurotrophic Ligands for FK506-Binding Proteins (FKBPs). Angew.Chem.Int.Ed.Engl., 54, 2015
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6EOB
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![BU of 6eob by Molmil](/molmil-images/mine/6eob) | Crystal structure of AMPylated GRP78 in apo form (Crystal form 1) | Descriptor: | 78 kDa glucose-regulated protein, PHOSPHATE ION | Authors: | Yan, Y, Preissler, S, Ron, D, Read, R.J. | Deposit date: | 2017-10-09 | Release date: | 2017-11-01 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | AMPylation targets the rate-limiting step of BiP's ATPase cycle for its functional inactivation. Elife, 6, 2017
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6EOM
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![BU of 6eom by Molmil](/molmil-images/mine/6eom) | Structure of DPP III from Caldithrix abyssi | Descriptor: | 1,2-ETHANEDIOL, ALANINE, CHLORIDE ION, ... | Authors: | Sabljic, I. | Deposit date: | 2017-10-10 | Release date: | 2018-03-07 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.103 Å) | Cite: | The first dipeptidyl peptidase III from a thermophile: Structural basis for thermal stability and reduced activity. PLoS ONE, 13, 2018
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4UW1
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![BU of 4uw1 by Molmil](/molmil-images/mine/4uw1) | X-ray crystal structure of human TNKS in complex with a small molecule inhibitor | Descriptor: | 1,2-ETHANEDIOL, 3-{4-[(dimethylamino)methyl]phenyl}-5-methoxyisoquinolin-1(2H)-one, GLYCEROL, ... | Authors: | Oliver, A.W, Rajasekaran, M.B, Pearl, L.H. | Deposit date: | 2014-08-08 | Release date: | 2015-07-08 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.37 Å) | Cite: | Design and Discovery of 3-Aryl-5-Substituted-Isoquinolin-1-Ones as Potent and Selective Tankyrase Inhibitors Medchemcommm, 6, 2015
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4LAT
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![BU of 4lat by Molmil](/molmil-images/mine/4lat) | Crystal structure of phosphate ABC transporter, periplasmic phosphate-binding protein PstS 1 (PBP1) from Streptococcus pneumoniae Canada MDR_19A in complex with phosphate | Descriptor: | ISOPROPYL ALCOHOL, PHOSPHATE ION, Phosphate-binding protein PstS 1 | Authors: | Stogios, P.J, Wawrzak, Z, Kudritska, M, Yim, V, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2013-06-20 | Release date: | 2013-07-10 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Crystal structure of phosphate ABC transporter, periplasmic phosphate-binding protein PstS 1 (PBP1) from Streptococcus pneumoniae Canada MDR_19A in complex with phosphate To be Published
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6ERN
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![BU of 6ern by Molmil](/molmil-images/mine/6ern) | HIV Hexamer with ligand | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Gag polyprotein | Authors: | James, L.C. | Deposit date: | 2017-10-18 | Release date: | 2018-11-07 | Last modified: | 2020-04-01 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | HIV hexamer To Be Published
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4LDN
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4W9N
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![BU of 4w9n by Molmil](/molmil-images/mine/4w9n) | Enoyl-acyl carrier protein-reductase domain from human fatty acid synthase complexed with triclosan | Descriptor: | CHLORIDE ION, Enoyl-[acyl-carrier-protein] reductase, IMIDAZOLE, ... | Authors: | Sippel, K.H, Vyas, N.K, Sankaran, B, Quiocho, F.A. | Deposit date: | 2014-08-27 | Release date: | 2014-10-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Crystal structure of the human Fatty Acid synthase enoyl-acyl carrier protein-reductase domain complexed with triclosan reveals allosteric protein-protein interface inhibition. J.Biol.Chem., 289, 2014
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4UZL
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4V0X
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![BU of 4v0x by Molmil](/molmil-images/mine/4v0x) | The crystal structure of mouse PP1G in complex with truncated human PPP1R15B (631-684) | Descriptor: | MANGANESE (II) ION, PROTEIN PHOSPHATASE 1 REGULATORY SUBUNIT 15B, PROTEIN PHOSPHATASE PP1-GAMMA CATALYTIC SUBUNIT | Authors: | Chen, R, Yan, Y, Casado, A.C, Ron, D, Read, R.J. | Deposit date: | 2014-09-18 | Release date: | 2015-03-25 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | G-actin provides substrate-specificity to eukaryotic initiation factor 2 alpha holophosphatases. Elife, 4, 2015
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4V18
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![BU of 4v18 by Molmil](/molmil-images/mine/4v18) | SeMet structure of a novel carbohydrate binding module from glycoside hydrolase family 5 glucanase from Ruminococcus flavefaciens FD-1 | Descriptor: | CARBOHYDRATE BINDING MODULE | Authors: | Venditto, I, Centeno, M.S.J, Ferreira, L.M.A, Fontes, C.M.G.A, Najmudin, S. | Deposit date: | 2014-09-25 | Release date: | 2016-01-20 | Last modified: | 2016-07-13 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Complexity of the Ruminococcus Flavefaciens Cellulosome Reflects an Expansion in Glycan Recognition. Proc.Natl.Acad.Sci.USA, 113, 2016
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4V1L
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![BU of 4v1l by Molmil](/molmil-images/mine/4v1l) | High resolution structure of a novel carbohydrate binding module from glycoside hydrolase family 9 (Cel9A) from Ruminococcus flavefaciens FD-1 | Descriptor: | CARBOHYDRATE BINDING MODULE, GLYCEROL, HEXAETHYLENE GLYCOL, ... | Authors: | Venditto, I, Goyal, A, Thompson, A, Ferreira, L.M.A, Fontes, C.M.G.A, Najmudin, S. | Deposit date: | 2014-09-29 | Release date: | 2016-01-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Complexity of the Ruminococcus Flavefaciens Cellulosome Reflects an Expansion in Glycan Recognition. Proc.Natl.Acad.Sci.USA, 113, 2016
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4UYW
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4UTO
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![BU of 4uto by Molmil](/molmil-images/mine/4uto) | Crystal structure of pneumococcal surface antigen PsaA D280N in the Cd-bound, open state | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CADMIUM ION, MANGANESE ABC TRANSPORTER SUBSTRATE-BINDING LIPOPROTEIN | Authors: | Luo, Z, Counago, R.M, Maher, M, Kobe, B. | Deposit date: | 2014-07-22 | Release date: | 2015-03-11 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Dysregulation of transition metal ion homeostasis is the molecular basis for cadmium toxicity in Streptococcus pneumoniae. Nat Commun, 6, 2015
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5TQG
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![BU of 5tqg by Molmil](/molmil-images/mine/5tqg) | Factor VIIa in complex with the inhibitor (5R,11R)-11-[(1-amino-4-fluoroisoquinolin-6-yl)amino]-16-(cyclopropylsulfonyl)-7-(2,2-difluoroethoxy)-5,13-dimethyl-2,13-diazatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-hexaene-3,12-dione | Descriptor: | (5R,11R)-11-[(1-amino-4-fluoroisoquinolin-6-yl)amino]-16-(cyclopropylsulfonyl)-7-(2,2-difluoroethoxy)-5,13-dimethyl-2,13-diazatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-hexaene-3,12-dione, CALCIUM ION, Factor VIIa (Heavy Chain), ... | Authors: | Wei, A. | Deposit date: | 2016-10-24 | Release date: | 2017-02-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Design and Synthesis of Novel Meta-Linked Phenylglycine Macrocyclic FVIIa Inhibitors. ACS Med Chem Lett, 8, 2017
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