6UG3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ug3 by Molmil](/molmil-images/mine/6ug3) | C3 symmetric peptide design number 1, Sporty, crystal form 1 | Descriptor: | C3-1, Sporty, crystal form 1, ... | Authors: | Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D. | Deposit date: | 2019-09-25 | Release date: | 2020-12-02 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Computational design of mixed chirality peptide macrocycles with internal symmetry. Protein Sci., 29, 2020
|
|
6U5J
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6u5j by Molmil](/molmil-images/mine/6u5j) | CryoEM Structure of Pyocin R2 - postcontracted - collar | Descriptor: | Collar PA0615, Sheath PA0622 | Authors: | Ge, P, Avaylon, J, Scholl, D, Shneider, M.M, Browning, C, Buth, S.A, Plattner, M, Ding, K, Leiman, P.G, Miller, J.F, Zhou, Z.H. | Deposit date: | 2019-08-27 | Release date: | 2020-04-15 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Action of a minimal contractile bactericidal nanomachine. Nature, 580, 2020
|
|
6UGC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ugc by Molmil](/molmil-images/mine/6ugc) | C3 symmetric peptide design number 3 | Descriptor: | C3-3 cyclic peptide design, CADMIUM ION, SODIUM ION | Authors: | Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D. | Deposit date: | 2019-09-26 | Release date: | 2020-12-02 | Method: | X-RAY DIFFRACTION (0.9 Å) | Cite: | Computational design of mixed chirality peptide macrocycles with internal symmetry. Protein Sci., 29, 2020
|
|
4HHU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4hhu by Molmil](/molmil-images/mine/4hhu) | Crystal Structure of Engineered Protein. Northeast Structural Genomics Consortium Target OR280. | Descriptor: | 3,6,9,12,15-PENTAOXAHEPTADECAN-1-OL, OR280, TETRAETHYLENE GLYCOL | Authors: | Vorobiev, S, Lew, S, Lin, Y.-R, Seetharaman, J, Castelllanos, J, Maglaqui, M, Xiao, R, Lee, D, Koga, N, Koga, R, Everett, J.K, Acton, T.B, Baker, D, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2012-10-10 | Release date: | 2012-10-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure of Engineered Protein OR280. To be Published
|
|
6LB2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6lb2 by Molmil](/molmil-images/mine/6lb2) | Crystal structure of rhesus macaque MHC class I molecule Mamu-B*098 complexed with mono-acyl glycerol | Descriptor: | (2R)-2,3-dihydroxypropyl hexadecanoate, 1,2-ETHANEDIOL, Beta-2-microglobulin, ... | Authors: | Shima, Y, Morita, D. | Deposit date: | 2019-11-13 | Release date: | 2020-04-22 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.69380951 Å) | Cite: | Crystal structures of lysophospholipid-bound MHC class I molecules. J.Biol.Chem., 295, 2020
|
|
5BZ6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5bz6 by Molmil](/molmil-images/mine/5bz6) | Crystal structure of the N-terminal domain single mutant (S92A) of the human mitochondrial calcium uniporter fused with T4 lysozyme | Descriptor: | Lysozyme,Calcium uniporter protein, mitochondrial, SULFATE ION | Authors: | Lee, Y, Min, C.K, Kim, T.G, Song, H.K, Lim, Y, Kim, D, Shin, K, Kang, M, Kang, J.Y, Youn, H.-S, Lee, J.-G, An, J.Y, Park, K.R, Lim, J.J, Kim, J.H, Kim, J.H, Park, Z.Y, Kim, Y.-S, Wang, J, Kim, D.H, Eom, S.H. | Deposit date: | 2015-06-11 | Release date: | 2015-09-16 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Structure and function of the N-terminal domain of the human mitochondrial calcium uniporter. Embo Rep., 16, 2015
|
|
5C1V
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5c1v by Molmil](/molmil-images/mine/5c1v) | CRYSTAL STRUCTURE ANALYSIS OF CATALYTIC SUBUNIT OF HUMAN CALCINEURIN | Descriptor: | FE (III) ION, PHOSPHATE ION, Serine/threonine-protein phosphatase 2B catalytic subunit alpha isoform, ... | Authors: | Guasch, A, Fita, I, Perez-Luque, R, Aparicio, D, Aranguren-Ibanez, A, Perez-Riba, M. | Deposit date: | 2015-06-15 | Release date: | 2016-02-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.35 Å) | Cite: | Calcineurin Undergoes a Conformational Switch Evoked via Peptidyl-Prolyl Isomerization. Plos One, 10, 2015
|
|
6UKS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6uks by Molmil](/molmil-images/mine/6uks) | ATPgammaS bound mBcs1 | Descriptor: | MAGNESIUM ION, Mitochondrial chaperone BCS1, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER | Authors: | Tang, W.K, Borgnia, M.J, Hsu, A.L, Xia, D. | Deposit date: | 2019-10-05 | Release date: | 2020-02-05 | Last modified: | 2020-02-26 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structures of AAA protein translocase Bcs1 suggest translocation mechanism of a folded protein. Nat.Struct.Mol.Biol., 27, 2020
|
|
6UDR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6udr by Molmil](/molmil-images/mine/6udr) | S2 symmetric peptide design number 3 crystal form 1, Lurch | Descriptor: | S2-3, Lurch crystal form 1 | Authors: | Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D. | Deposit date: | 2019-09-19 | Release date: | 2020-09-23 | Last modified: | 2020-12-02 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Computational design of mixed chirality peptide macrocycles with internal symmetry. Protein Sci., 29, 2020
|
|
6XQC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6xqc by Molmil](/molmil-images/mine/6xqc) | |
6U8D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6u8d by Molmil](/molmil-images/mine/6u8d) | Crystal structure of hepatitis C virus IRES junction IIIabc in complex with Fab HCV2 | Descriptor: | Heavy chain of Fab HCV2, JIIIabc RNA (68-MER), Light chain of Fab HCV2 | Authors: | Koirala, D, Lewicka, A, Koldobskaya, Y, Huang, H, Piccirilli, J.A. | Deposit date: | 2019-09-04 | Release date: | 2019-12-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.807 Å) | Cite: | Synthetic Antibody Binding to a Preorganized RNA Domain of Hepatitis C Virus Internal Ribosome Entry Site Inhibits Translation. Acs Chem.Biol., 15, 2020
|
|
6KUX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6kux by Molmil](/molmil-images/mine/6kux) | Crystal structures of the alpha2A adrenergic receptor in complex with an antagonist RSC. | Descriptor: | (8~{a}~{R},12~{a}~{S},13~{a}~{S})-12-ethylsulfonyl-3-methoxy-5,6,8,8~{a},9,10,11,12~{a},13,13~{a}-decahydroisoquinolino[2,1-g][1,6]naphthyridine, CITRATE ANION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Qu, L, Zhou, Q.T, Wu, D, Zhao, S.W. | Deposit date: | 2019-09-02 | Release date: | 2019-12-04 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structures of the alpha2A adrenergic receptor in complex with an antagonist RSC. To Be Published
|
|
5C5Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5c5z by Molmil](/molmil-images/mine/5c5z) | Crystal structure analysis of c4763, a uropathogenic E. coli-specific protein | Descriptor: | Glutamyl-tRNA amidotransferase | Authors: | Kim, H, Choi, J, Kim, D, Kim, K.K. | Deposit date: | 2015-06-22 | Release date: | 2015-08-19 | Last modified: | 2017-09-27 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Crystal structure analysis of c4763, a uropathogenic Escherichia coli-specific protein. Acta Crystallogr.,Sect.F, 71, 2015
|
|
5C83
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5c83 by Molmil](/molmil-images/mine/5c83) | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Compound 21 | Descriptor: | (2R,5R)-4-[2-(6-benzyl-3,3-dimethyl-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-1-yl)-2-oxoethyl]-5-(methoxymethyl)-2-methylpiperazin-1-ium, E3 ubiquitin-protein ligase XIAP, ZINC ION | Authors: | Chessari, G, Buck, I.M, Day, J.E.H, Day, P.J, Iqbal, A, Johnson, C.N, Lewis, E.J, Martins, V, Miller, D, Reader, M, Rees, D.C, Rich, S.J, Tamanini, E, Vitorino, M, Ward, G.A, Williams, P.A, Williams, G, Wilsher, N.E, Woolford, A.J.-A. | Deposit date: | 2015-06-25 | Release date: | 2015-08-12 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Discovery of a Non-Alanine Lead Series with Dual Activity Against cIAP1 and XIAP. J.Med.Chem., 58, 2015
|
|
5C66
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5c66 by Molmil](/molmil-images/mine/5c66) | |
6LK0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6lk0 by Molmil](/molmil-images/mine/6lk0) | Crystal structure of human wild type TRIP13 | Descriptor: | Pachytene checkpoint protein 2 homolog | Authors: | Wang, Y, Huang, J, Li, B, Xue, H, Tricot, G, Hu, L, Xu, Z, Sun, X, Chang, S, Gao, L, Tao, Y, Xu, H, Xie, Y, Xiao, W, Yu, D, Kong, Y, Chen, G, Sun, X, Lian, F, Zhang, N, Wu, X, Mao, Z, Zhan, F, Zhu, W, Shi, J. | Deposit date: | 2019-12-17 | Release date: | 2020-01-22 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | A Small-Molecule Inhibitor Targeting TRIP13 Suppresses Multiple Myeloma Progression. Cancer Res., 80, 2020
|
|
4HQD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4hqd by Molmil](/molmil-images/mine/4hqd) | Crystal Structure of Engineered Protein. Northeast Structural Genomics Consortium Target OR265. | Descriptor: | Engineered Protein OR265 | Authors: | Vorobiev, S, Su, M, Parmeggiani, F, Seetharaman, J, Huang, P.-S, Maglaqui, M, Xiao, R, Lee, D, Everett, J.K, Acton, T.B, Baker, D, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2012-10-25 | Release date: | 2012-11-14 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.433 Å) | Cite: | Crystal Structure of Engineered Protein OR265. To be Published
|
|
6Y5V
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6y5v by Molmil](/molmil-images/mine/6y5v) | Structure of Human Potassium Chloride Transporter KCC3b (S45D/T940D/T997D) in KCl | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Solute carrier family 12 member 6, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Chi, G, Man, H, Ebenhoch, R, Reggiano, G, Pike, A.C.W, Wang, D, McKinley, G, Mukhopadhyay, S.M.M, MacLean, E.M, Chalk, R, Moreau, C, Snee, M, Bohstedt, T, Singh, N.K, Abrusci, P, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Marsden, B.D, Burgess-Brown, N.A, DiMaio, F, Duerr, K.L. | Deposit date: | 2020-02-25 | Release date: | 2020-07-15 | Last modified: | 2021-07-28 | Method: | ELECTRON MICROSCOPY (4.08 Å) | Cite: | Phospho-regulation, nucleotide binding and ion access control in potassium-chloride cotransporters. Embo J., 40, 2021
|
|
4LX4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4lx4 by Molmil](/molmil-images/mine/4lx4) | Crystal Structure Determination of Pseudomonas stutzeri endoglucanase Cel5A using a Twinned Data Set | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Endoglucanase(Endo-1,4-beta-glucanase)protein | Authors: | Dutoit, R, Delsaute, M, Berlemont, R, Van Elder, D, Galleni, M, Bauvois, C. | Deposit date: | 2013-07-29 | Release date: | 2014-07-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.556 Å) | Cite: | Crystal structure determination of Pseudomonas stutzeri A1501 endoglucanase Cel5A: the search for a molecular basis for glycosynthesis in GH5_5 enzymes. Acta Crystallogr D Struct Biol, 75, 2019
|
|
6UCC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ucc by Molmil](/molmil-images/mine/6ucc) | Structure of human PACRG-MEIG1 complex (limited proteolysis) | Descriptor: | DI(HYDROXYETHYL)ETHER, Meiosis expressed gene 1 protein homolog, PHOSPHATE ION, ... | Authors: | Khan, N, Croteau, N, Pelletier, D, Veyron, S, Trempe, J.F. | Deposit date: | 2019-09-16 | Release date: | 2019-10-23 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structure of human PACRG in complex with MEIG1 Biorxiv, 2019
|
|
4MC9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4mc9 by Molmil](/molmil-images/mine/4mc9) | HIV protease in complex with AA74 | Descriptor: | (3S)-tetrahydrofuran-3-yl {(2S,3R)-4-[(4R)-7-fluoro-1,1-dioxido-4-(propan-2-yl)-4,5-dihydro-1,2-benzothiazepin-2(3H)-yl]-3-hydroxy-1-phenylbutan-2-yl}carbamate, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Ganguly, A.K, Alluri, S.S, Wang, C, Antropow, A, White, A, Caroccia, D, Biswas, D, Kang, E, Zhang, L, Carroll, S.S, Burlein, C, Munshi, V, Orth, P, Strickland, C. | Deposit date: | 2013-08-21 | Release date: | 2014-04-02 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.19 Å) | Cite: | Structural Optimization of Cyclic Sulfonamide based Novel HIV-1 Protease Inhibitors to Pico Molar Affinities guided by X-ray Crystallographic Analysis Tetrahedron, 2014
|
|
6UKP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ukp by Molmil](/molmil-images/mine/6ukp) | Apo mBcs1 | Descriptor: | Mitochondrial chaperone BCS1 | Authors: | Tang, W.K, Borgnia, M.J, Hsu, A.L, Xia, D. | Deposit date: | 2019-10-05 | Release date: | 2020-02-12 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.81 Å) | Cite: | Structures of AAA protein translocase Bcs1 suggest translocation mechanism of a folded protein. Nat.Struct.Mol.Biol., 27, 2020
|
|
5CFS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5cfs by Molmil](/molmil-images/mine/5cfs) | Crystal Structure of ANT(2")-Ia in complex with AMPCPP and tobramycin | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, AAD(2''),Gentamicin 2''-nucleotidyltransferase,Gentamicin resistance protein, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, ... | Authors: | Rodionov, D, Bassenden, A.V, Berghuis, A.M. | Deposit date: | 2015-07-08 | Release date: | 2016-03-16 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural Analysis of the Tobramycin and Gentamicin Clinical Resistome Reveals Limitations for Next-generation Aminoglycoside Design. Acs Chem.Biol., 11, 2016
|
|
6YAA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6yaa by Molmil](/molmil-images/mine/6yaa) | Structure of the (SR) Ca2+-ATPase bound to the inhibitor compound CAD204520 and TNP-ATP | Descriptor: | 4-[2-[(2~{R})-2-[3-propyl-6-(trifluoromethyloxy)-1~{H}-indol-2-yl]piperidin-1-yl]ethyl]morpholine, POTASSIUM ION, SPIRO(2,4,6-TRINITROBENZENE[1,2A]-2O',3O'-METHYLENE-ADENINE-TRIPHOSPHATE, ... | Authors: | Heit, S, Marchesini, M, Gherli, A, Montanaro, A, Patrizi, L, Sorrentino, C, Pagliaro, L, Rompietti, C, Kitara, S, Olesen, C.E, Moller, J.V, Savi, M, Bocchi, L, Vilella, R, Rizzi, F, Baglione, M, Rastelli, G, Loiacona, C, La Starza, R, Mecucci, C, Stegmair, K, Aversa, F, Stilli, D, Lund Winther, A.M, Sportoletti, P, Dalby-Brown, W, Roti, G, Bublitz, M. | Deposit date: | 2020-03-11 | Release date: | 2020-05-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Blockade of Oncogenic NOTCH1 with the SERCA Inhibitor CAD204520 in T Cell Acute Lymphoblastic Leukemia. Cell Chem Biol, 27, 2020
|
|
6L1E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6l1e by Molmil](/molmil-images/mine/6l1e) | |