7GHN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ghn by Molmil](/molmil-images/mine/7ghn) | Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with MAT-POS-f2460aef-1 (Mpro-P0009) | Descriptor: | 3C-like proteinase, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F. | Deposit date: | 2023-08-11 | Release date: | 2023-11-08 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors. Science, 382, 2023
|
|
7GHQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ghq by Molmil](/molmil-images/mine/7ghq) | Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with ALP-POS-64a710fa-1 (Mpro-P0016) | Descriptor: | 3C-like proteinase, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F. | Deposit date: | 2023-08-11 | Release date: | 2023-11-08 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors. Science, 382, 2023
|
|
7GHP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ghp by Molmil](/molmil-images/mine/7ghp) | Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with BEN-DND-4f474d93-1 (Mpro-P0012) | Descriptor: | (4R)-6-chloro-N-(2,7-naphthyridin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide, 3C-like proteinase, CHLORIDE ION, ... | Authors: | Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F. | Deposit date: | 2023-08-11 | Release date: | 2023-11-08 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors. Science, 382, 2023
|
|
1E25
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1e25 by Molmil](/molmil-images/mine/1e25) | The high resolution structure of PER-1 class A beta-lactamase | Descriptor: | EXTENDED-SPECTRUM BETA-LACTAMASE PER-1, SULFATE ION | Authors: | Tranier, S, Bouthors, A.T, Maveyraud, L, Guillet, V, Sougakoff, W, Samama, J.P. | Deposit date: | 2000-05-17 | Release date: | 2000-11-06 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The High Resolution Crystal Structure for Class a Beta-Lactamase Per-1 Reveals the Bases for its Increase in Breadth of Activity J.Biol.Chem., 275, 2000
|
|
1DVF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1dvf by Molmil](/molmil-images/mine/1dvf) | IDIOTOPIC ANTIBODY D1.3 FV FRAGMENT-ANTIIDIOTOPIC ANTIBODY E5.2 FV FRAGMENT COMPLEX | Descriptor: | FV D1.3, FV E5.2, ZINC ION | Authors: | Braden, B.C, Fields, B.A, Ysern, X, Dall'Acqua, W, Goldbaum, F.A, Poljak, R.J, Mariuzza, R.A. | Deposit date: | 1996-04-13 | Release date: | 1996-08-17 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of an Fv-Fv idiotope-anti-idiotope complex at 1.9 A resolution. J.Mol.Biol., 264, 1996
|
|
6BFU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6bfu by Molmil](/molmil-images/mine/6bfu) | Glycan shield and fusion activation of a deltacoronavirus spike glycoprotein fine-tuned for enteric infections | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein, ... | Authors: | Xiong, X, Tortorici, M.A, Snijder, S, Yoshioka, C, Walls, A.C, Li, W, Seattle Structural Genomics Center for Infectious Disease (SSGCID), McGuire, A.T, Rey, F.A, Bosch, B.J, Veesler, D. | Deposit date: | 2017-10-27 | Release date: | 2017-11-22 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Glycan Shield and Fusion Activation of a Deltacoronavirus Spike Glycoprotein Fine-Tuned for Enteric Infections. J. Virol., 92, 2018
|
|
6B3X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6b3x by Molmil](/molmil-images/mine/6b3x) | Crystal structure of CstF-50 in complex with CstF-77 | Descriptor: | Cleavage stimulation factor subunit 1, Cleavage stimulation factor subunit 3 | Authors: | Yang, W, Hsu, P, Yang, F, Song, J.E, Varani, G. | Deposit date: | 2017-09-25 | Release date: | 2017-11-29 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Reconstitution of the CstF complex unveils a regulatory role for CstF-50 in recognition of 3'-end processing signals. Nucleic Acids Res., 46, 2018
|
|
1FLG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1flg by Molmil](/molmil-images/mine/1flg) | CRYSTAL STRUCTURE OF THE QUINOPROTEIN ETHANOL DEHYDROGENASE FROM PSEUDOMONAS AERUGINOSA | Descriptor: | CALCIUM ION, PROTEIN (QUINOPROTEIN ETHANOL DEHYDROGENASE), PYRROLOQUINOLINE QUINONE | Authors: | Keitel, T, Diehl, A, Knaute, T, Stezowski, J.J, Hohne, W, Gorisch, H. | Deposit date: | 2000-08-14 | Release date: | 2000-08-30 | Last modified: | 2017-10-04 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | X-ray structure of the quinoprotein ethanol dehydrogenase from Pseudomonas aeruginosa: basis of substrate specificity. J.Mol.Biol., 297, 2000
|
|
1FJ1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1fj1 by Molmil](/molmil-images/mine/1fj1) | |
1FC5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1fc5 by Molmil](/molmil-images/mine/1fc5) | |
1D2L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1d2l by Molmil](/molmil-images/mine/1d2l) | |
1CN1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1cn1 by Molmil](/molmil-images/mine/1cn1) | CRYSTAL STRUCTURE OF DEMETALLIZED CONCANAVALIN A. THE METAL-BINDING REGION | Descriptor: | CONCANAVALIN A | Authors: | Shoham, M, Yonath, A, Sussman, J.L, Moult, J, Traub, W, Gilboa(Kalb), A.J. | Deposit date: | 1981-12-21 | Release date: | 1982-03-04 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Crystal structure of demetallized concanavalin A: the metal-binding region. J.Mol.Biol., 131, 1979
|
|
6BGJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6bgj by Molmil](/molmil-images/mine/6bgj) | Cryo-EM structure of the TMEM16A calcium-activated chloride channel in LMNG | Descriptor: | Anoctamin-1, CALCIUM ION | Authors: | Dang, S, Feng, S, Tien, J, Peters, C.J, Bulkley, D, Lolicato, M, Zhao, J, Zuberbuhler, K, Ye, W, Qi, L, Chen, T, Craik, C.S, Jan, Y.N, Minor Jr, D.L, Cheng, Y, Jan, L.Y. | Deposit date: | 2017-10-28 | Release date: | 2017-12-27 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Cryo-EM structures of the TMEM16A calcium-activated chloride channel. Nature, 552, 2017
|
|
6BHG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6bhg by Molmil](/molmil-images/mine/6bhg) | Crystal structure of SETDB1 with a modified H3 peptide | Descriptor: | Histone H3.1, Histone-lysine N-methyltransferase SETDB1, UNKNOWN ATOM OR ION | Authors: | Qin, S, Tempel, W, Dong, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2017-10-30 | Release date: | 2017-12-06 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | H3K14ac is linked to methylation of H3K9 by the triple Tudor domain of SETDB1. Nat Commun, 8, 2017
|
|
6BL1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6bl1 by Molmil](/molmil-images/mine/6bl1) | Novel Modes of Inhibition of Wild-Type IDH1: Direct Covalent Modification of His315 with Cmpd13 | Descriptor: | (6aS,7S,9S,10aS)-7-methyl-8-oxo-10a-phenyl-2-(phenylamino)-5,6,6a,7,8,9,10,10a-octahydrobenzo[h]quinazoline-9-carbonitrile, CALCIUM ION, ISOCITRIC ACID, ... | Authors: | Jakob, C.G, Qiu, W. | Deposit date: | 2017-11-09 | Release date: | 2018-07-25 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Novel Modes of Inhibition of Wild-Type Isocitrate Dehydrogenase 1 (IDH1): Direct Covalent Modification of His315. J. Med. Chem., 61, 2018
|
|
6C8K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6c8k by Molmil](/molmil-images/mine/6c8k) | RNA-activated 2-AIpG monomer complex, 30 min soaking | Descriptor: | 2-amino-1-[(R)-{[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]-3-[(S)-{[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]-1H-imidazol-3-ium, MAGNESIUM ION, RNA (5'-R(*(LCC)P*(LCC)P*(LCC)P*(LCG)P*AP*CP*UP*UP*AP*AP*GP*UP*CP*G)-3') | Authors: | Zhang, W, Szostak, J.W. | Deposit date: | 2018-01-24 | Release date: | 2018-05-30 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.259 Å) | Cite: | Crystallographic observation of nonenzymatic RNA primer extension. Elife, 7, 2018
|
|
6BM4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6bm4 by Molmil](/molmil-images/mine/6bm4) | Pol II elongation complex with an abasic lesion at i-1 position,soaking UMPNPP | Descriptor: | 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]uridine, DNA (5'-D(P*CP*AP*(3DR)P*CP*TP*CP*TP*TP*GP*AP*TP*G)-3'), DNA-directed RNA polymerase II subunit RPB1, ... | Authors: | Wang, W, Wang, D. | Deposit date: | 2017-11-13 | Release date: | 2018-02-28 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.951 Å) | Cite: | Structural basis of transcriptional stalling and bypass of abasic DNA lesion by RNA polymerase II. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
|
|
6C8O
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6c8o by Molmil](/molmil-images/mine/6c8o) | RNA-activated 2-AIpG monomer, 3h soaking | Descriptor: | 5'-O-[(R)-(2-amino-1H-imidazol-1-yl)(hydroxy)phosphoryl]guanosine, MAGNESIUM ION, RNA (5'-R(*(LCC)P*(LCC)P*(LCC)P*(LCG)P*AP*CP*UP*UP*AP*AP*GP*UP*CP*GP*G)-3') | Authors: | Zhang, W, Szostak, J.W. | Deposit date: | 2018-01-25 | Release date: | 2018-05-30 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystallographic observation of nonenzymatic RNA primer extension. Elife, 7, 2018
|
|
1CG9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1cg9 by Molmil](/molmil-images/mine/1cg9) | COMPLEX RECOGNITION OF THE SUPERTYPIC BW6-DETERMINANT ON HLA-B AND-C MOLECULES BY THE MONOCLONAL ANTIBODY SFR8-B6 | Descriptor: | PROTEIN (BETA-2-MICROGLOBULIN), PROTEIN (EBNA-6 NUCLEAR PROTEIN (EBNA-3C) (EBNA-4B)), PROTEIN (HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, ... | Authors: | Menssen, R, Orth, P, Ziegler, A, Saenger, W. | Deposit date: | 1999-03-25 | Release date: | 2003-11-18 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Complex Recognition of the Supertypic Bw6-Determinant on HLA-B and-C Molecules
by the Monoclonal Antibody SFR8-B6 To be Published
|
|
6BKZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6bkz by Molmil](/molmil-images/mine/6bkz) | Novel Modes of Inhibition of Wild-Type IDH1: Non-equivalent Allosteric Inhibition with Cmpd3 | Descriptor: | (7R)-1-[(4-fluorophenyl)methyl]-N-{3-[(1R)-1-hydroxyethyl]phenyl}-7-methyl-5-(1H-pyrrole-2-carbonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide, Isocitrate dehydrogenase [NADP] cytoplasmic, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Jakob, C.G, Qiu, W. | Deposit date: | 2017-11-09 | Release date: | 2018-07-25 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Novel Modes of Inhibition of Wild-Type Isocitrate Dehydrogenase 1 (IDH1): Direct Covalent Modification of His315. J. Med. Chem., 61, 2018
|
|
6BSG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6bsg by Molmil](/molmil-images/mine/6bsg) | Structure of HIV-1 RT complexed with RNA/DNA hybrid in an RNA hydrolysis-off mode | Descriptor: | (-)-6-CHLORO-4-CYCLOPROPYLETHYNYL-4-TRIFLUOROMETHYL-1,4-DIHYDRO-2H-3,1-BENZOXAZIN-2-ONE, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Tian, L, Kim, M, Yang, W. | Deposit date: | 2017-12-03 | Release date: | 2018-01-03 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Structure of HIV-1 reverse transcriptase cleaving RNA in an RNA/DNA hybrid. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
|
|
1CYL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1cyl by Molmil](/molmil-images/mine/1cyl) | |
6ASG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6asg by Molmil](/molmil-images/mine/6asg) | Crystal structure of Thermus thermophilus RNA polymerase core enzyme | Descriptor: | DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ... | Authors: | Liu, Y, Lin, W, Ying, R, Ebright, R.H. | Deposit date: | 2017-08-24 | Release date: | 2018-04-11 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.8 Å) | Cite: | Structural Basis of Transcription Inhibition by Fidaxomicin (Lipiarmycin A3). Mol. Cell, 70, 2018
|
|
6AYB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ayb by Molmil](/molmil-images/mine/6ayb) | Naegleria fowleri CYP51-ketoconazole complex | Descriptor: | 1,2-ETHANEDIOL, 1-acetyl-4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine, CALCIUM ION, ... | Authors: | Debnath, A, Calvet, C.M, Jennings, G, Zhou, W, Aksenov, A, Luth, M, Abagyan, R, Nes, W.D, McKerrow, J.H, Podust, L.M. | Deposit date: | 2017-09-08 | Release date: | 2017-11-22 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | CYP51 is an essential drug target for the treatment of primary amoebic meningoencephalitis (PAM). PLoS Negl Trop Dis, 11, 2017
|
|
1CH0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1ch0 by Molmil](/molmil-images/mine/1ch0) | RNASE T1 VARIANT WITH ALTERED GUANINE BINDING SEGMENT | Descriptor: | CALCIUM ION, CHLORIDE ION, GUANOSINE-2'-MONOPHOSPHATE, ... | Authors: | Hoeschler, K, Hoier, H, Orth, P, Hubner, B, Saenger, W, Hahn, U. | Deposit date: | 1999-03-30 | Release date: | 1999-12-22 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural analysis of an RNase T1 variant with an altered guanine binding segment. J.Mol.Biol., 294, 1999
|
|