6J15
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![BU of 6j15 by Molmil](/molmil-images/mine/6j15) | Complex structure of GY-5 Fab and PD-1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, GY-5 heavy chain Fab, ... | Authors: | Chen, D, Tan, S, Zhang, H, Wang, H, Chai, Y, Qi, J, Yan, J, Gao, G.F. | Deposit date: | 2018-12-27 | Release date: | 2019-11-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The FG Loop of PD-1 Serves as a "Hotspot" for Therapeutic Monoclonal Antibodies in Tumor Immune Checkpoint Therapy. Iscience, 14, 2019
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7KI6
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5CVS
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![BU of 5cvs by Molmil](/molmil-images/mine/5cvs) | GlgE isoform 1 from Streptomyces coelicolor E423A mutant soaked in maltoheptaose | Descriptor: | Alpha-1,4-glucan:maltose-1-phosphate maltosyltransferase 1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Rashid, A.M, Syson, K, Koliwer-Brandl, H, van de Weerd, R, Stevenson, C.E.M, Batey, S.F.D, Miah, F, Alber, M, Ioerger, T.R, Chandra, G, Appelmelk, B.J, Nartowski, K.P, Khimyak, Y.Z, Lawson, D.M, Jacobs, W.R, Geurtsen, J, Kalscheuer, R, Bornemann, S. | Deposit date: | 2015-07-27 | Release date: | 2016-08-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Ligand-bound structures and site-directed mutagenesis identify the acceptor and secondary binding sites of Streptomyces coelicolor maltosyltransferase GlgE. J.Biol.Chem., 291, 2016
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6K54
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![BU of 6k54 by Molmil](/molmil-images/mine/6k54) | Hyperthermophilic GH6 cellobiohydrolase II (HmCel6A) in complex with trisaccharide | Descriptor: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Baba, S, Takeda, M, Okuma, J, Hirose, Y, Nishimura, A, Takata, M, Oda, K, Shibata, D, Kondo, Y, Kumasaka, T. | Deposit date: | 2019-05-28 | Release date: | 2020-06-03 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.905 Å) | Cite: | Novel hyperthermophilic cellobiohydrolase II isolated from hot spring microbial community To Be Published
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1CQE
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![BU of 1cqe by Molmil](/molmil-images/mine/1cqe) | PROSTAGLANDIN H2 SYNTHASE-1 COMPLEX WITH FLURBIPROFEN | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, FLURBIPROFEN, PROTEIN (PROSTAGLANDIN H2 SYNTHASE-1), ... | Authors: | Picot, D, Loll, P.J, Mulichak, A.M, Garavito, R.M. | Deposit date: | 1999-06-15 | Release date: | 1999-06-30 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | The X-ray crystal structure of the membrane protein prostaglandin H2 synthase-1. Nature, 367, 1994
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7MK7
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![BU of 7mk7 by Molmil](/molmil-images/mine/7mk7) | Augmentor domain of augmentor-beta | Descriptor: | ALK and LTK ligand 1,Maltodextrin-binding protein, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Krimmer, S.G, Reshetnyak, A.V, Puleo, D.E, Schlessinger, J. | Deposit date: | 2021-04-21 | Release date: | 2021-11-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.42815185 Å) | Cite: | Structural basis for ligand reception by anaplastic lymphoma kinase. Nature, 600, 2021
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7MGW
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1CW9
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![BU of 1cw9 by Molmil](/molmil-images/mine/1cw9) | DNA DECAMER WITH AN ENGINEERED CROSSLINK IN THE MINOR GROOVE | Descriptor: | 5'-D(*CP*CP*AP*GP*(G47)P*CP*CP*TP*GP*G)-3', CALCIUM ION | Authors: | van Aalten, D.M.F, Erlanson, D.A, Verdine, G.L, Joshua-Tor, L. | Deposit date: | 1999-08-26 | Release date: | 1999-10-14 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | A structural snapshot of base-pair opening in DNA. Proc.Natl.Acad.Sci.USA, 96, 1999
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1CQF
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4OAK
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![BU of 4oak by Molmil](/molmil-images/mine/4oak) | Crystal structure of vancomycin resistance D,D-dipeptidase/D,D-pentapeptidase VanXYc D59S mutant in complex with D-Alanine-D-Alanine and copper (II) | Descriptor: | 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, CHLORIDE ION, COPPER (II) ION, ... | Authors: | Stogios, P.J, Evdokimova, E, Meziane-Cherif, D, Di Leo, R, Yim, V, Courvalin, P, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2014-01-04 | Release date: | 2014-01-15 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis for the evolution of vancomycin resistance D,D-peptidases. Proc.Natl.Acad.Sci.USA, 111, 2014
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5CSU
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![BU of 5csu by Molmil](/molmil-images/mine/5csu) | Disproportionating enzyme 1 from Arabidopsis - acarviostatin soak | Descriptor: | 1,2-ETHANEDIOL, 4-alpha-glucanotransferase DPE1, chloroplastic/amyloplastic, ... | Authors: | O'Neill, E.C, Stevenson, C.E.M, Tantanarat, K, Latousakis, D, Donaldson, M.I, Rejzek, M, Limpaseni, T, Smith, A.M, Field, R.A, Lawson, D.M. | Deposit date: | 2015-07-23 | Release date: | 2015-11-04 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Structural Dissection of the Maltodextrin Disproportionation Cycle of the Arabidopsis Plastidial Disproportionating Enzyme 1 (DPE1). J.Biol.Chem., 290, 2015
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6KIF
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![BU of 6kif by Molmil](/molmil-images/mine/6kif) | Structure of cyanobacterial photosystem I-IsiA-flavodoxin supercomplex | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | Authors: | Cao, P, Cao, D.F, Si, L, Su, X.D, Chang, W.R, Liu, Z.F, Zhang, X.Z, Li, M. | Deposit date: | 2019-07-18 | Release date: | 2020-02-12 | Last modified: | 2020-03-04 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structural basis for energy and electron transfer of the photosystem I-IsiA-flavodoxin supercomplex. Nat.Plants, 6, 2020
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1D53
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![BU of 1d53 by Molmil](/molmil-images/mine/1d53) | CRYSTAL STRUCTURE AT 1.5 ANGSTROMS RESOLUTION OF D(CGCICICG), AN OCTANUCLEOTIDE CONTAINING INOSINE, AND ITS COMPARISON WITH D(CGCG) AND D(CGCGCG) STRUCTURES | Descriptor: | DNA (5'-D(*CP*GP*CP*G)-3'), DNA (5'-D(*CP*GP*CP*IP*CP*IP*CP*G)-3') | Authors: | Kumar, V.D, Harrison, R.W, Andrews, L.C, Weber, I.T. | Deposit date: | 1992-11-05 | Release date: | 1993-04-13 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal structure at 1.5-A resolution of d(CGCICICG), an octanucleotide containing inosine, and its comparison with d(CGCG) and d(CGCGCG) structures. Biochemistry, 31, 1992
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5W1M
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![BU of 5w1m by Molmil](/molmil-images/mine/5w1m) | MACV GP1 CR1-07 Fab complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CR1-07 Fab heavy chain, ... | Authors: | Raymond, D.D, Clark, L.E, Abraham, J. | Deposit date: | 2017-06-03 | Release date: | 2018-05-30 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.91 Å) | Cite: | Vaccine-elicited receptor-binding site antibodies neutralize two New World hemorrhagic fever arenaviruses. Nat Commun, 9, 2018
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5DAA
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4X2K
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![BU of 4x2k by Molmil](/molmil-images/mine/4x2k) | Selection of fragments for kinase inhibitor design: decoration is key | Descriptor: | 4-[(3-aminophenyl)amino]pyrido[2,3-d]pyrimidin-5(6H)-one, SULFATE ION, TGF-beta receptor type-1 | Authors: | Czodrowski, P, Hoelzemann, G, Barnickel, G, Greiner, H, Musil, D. | Deposit date: | 2014-11-26 | Release date: | 2014-12-24 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Selection of fragments for kinase inhibitor design: decoration is key. J.Med.Chem., 58, 2015
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7V8A
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![BU of 7v8a by Molmil](/molmil-images/mine/7v8a) | Cryo-EM structure of SARS-CoV-2 S-Delta variant (B.1.617.2) in complex with Angiotensin-converting enzyme 2 (ACE2) ectodomain, three ACE2-bound form conformation 2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2,Angiotensin-converting enzyme 2 (ACE2) ectodomain, ... | Authors: | Yang, T.J, Yu, P.Y, Chang, Y.C, Hsu, S.T.D. | Deposit date: | 2021-08-22 | Release date: | 2021-10-06 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Cryo-EM structure of SARS-CoV-2 S-Delta variant (B.1.617.2) in complex with Angiotensin-converting enzyme 2 (ACE2) ectodomain, three ACE2-bound form conformation 2 To Be Published
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7V8C
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![BU of 7v8c by Molmil](/molmil-images/mine/7v8c) | Cryo-EM structure of SARS-CoV-2 S-Beta variant (B.1.351), Cleavable form, one RBD-up conformation | 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 glycoprotein | Authors: | Yang, T.J, Yu, P.Y, Chang, Y.C, Hsu, S.T.D. | Deposit date: | 2021-08-22 | Release date: | 2021-10-06 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Cryo-EM structure of SARS-CoV-2 S-Beta variant (B.1.351), Cleavable form, one RBD-up conformation To Be Published
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7V7O
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![BU of 7v7o by Molmil](/molmil-images/mine/7v7o) | Cryo-EM structure of SARS-CoV-2 S-Delta variant (B.1.617.2), one RBD-up conformation 1 | 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 glycoprotein | Authors: | Yang, T.J, Yu, P.Y, Chang, Y.C, Hsu, S.T.D. | Deposit date: | 2021-08-21 | Release date: | 2021-10-06 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Cryo-EM structure of SARS-CoV-2 S-Delta variant (B.1.617.2), one RBD-up conformation 1 To Be Published
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8ONO
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![BU of 8ono by Molmil](/molmil-images/mine/8ono) | Modified oligopeptidase B from S. proteamaculans in intermediate conformation with 5 spermine molecule at 1.65 A resolution | Descriptor: | Oligopeptidase B, SPERMINE | Authors: | Petrenko, D.E, Boyko, K.M, Nikolaeva, A.Y, Vlaskina, A.V, Mikhailova, A.G, Timofeev, V.I, Rakitina, T.V. | Deposit date: | 2023-04-03 | Release date: | 2023-05-31 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Modified oligopeptidase B from S. proteomaculans in intermediate conformation with 5 spermine molecule at 1.65 A resolution To Be Published
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7V80
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![BU of 7v80 by Molmil](/molmil-images/mine/7v80) | Local refinement of SARS-CoV-2 S-Beta variant (B.1.351) RBD and Angiotensin-converting enzyme 2 (ACE2) ectodomain | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2,Green fluorescent protein, ... | Authors: | Yang, T.J, Yu, P.Y, Chang, Y.C, Hsu, S.T.D. | Deposit date: | 2021-08-22 | Release date: | 2021-10-06 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Local refinement of SARS-CoV-2 S-Beta variant (B.1.351) RBD and Angiotensin-converting enzyme 2 (ACE2) ectodomain To Be Published
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7SJY
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8B4F
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![BU of 8b4f by Molmil](/molmil-images/mine/8b4f) | Crystal structure of human cathepsin L forming a thiohemiacetal with N-Boc-2-aminoacetaldehyde | Descriptor: | 1,2-ETHANEDIOL, Cathepsin L, DI(HYDROXYETHYL)ETHER, ... | Authors: | Falke, S, Lieske, J, Guenther, S, Reinke, P.Y.A, Ewert, W, Loboda, J, Karnicar, K, Usenik, A, Lindic, N, Sekirnik, A, Chapman, H.N, Hinrichs, W, Turk, D, Meents, A. | Deposit date: | 2022-09-20 | Release date: | 2023-09-27 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural Elucidation and Antiviral Activity of Covalent Cathepsin L Inhibitors. J.Med.Chem., 67, 2024
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6ODB
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![BU of 6odb by Molmil](/molmil-images/mine/6odb) | Crystal structure of HDAC8 in complex with compound 3 | Descriptor: | GLYCEROL, Histone deacetylase 8, N-{2-[(1E)-3-(hydroxyamino)-3-oxoprop-1-en-1-yl]phenyl}-2-phenoxybenzamide, ... | Authors: | Zheng, X, Conti, C, Caravella, J, Zablocki, M.-M, Bair, K, Barczak, N, Han, B, Lancia Jr, D, Liu, C, Martin, M, Ng, P.Y, Rudnitskaya, A, Thomason, J.J, Garcia-Dancey, R, Hardy, C, Lahdenranta, J, Leng, C, Li, P, Pardo, E, Saldahna, A, Tan, T, Toms, A.V, Yao, L, Zhang, C. | Deposit date: | 2019-03-26 | Release date: | 2020-04-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure-based Discovery of Novel N-(E)-N-Hydroxy-3-(2-(2-oxoimidazolidin-1-yl)phenyl)acrylamides as Potent and Selective HDAC8 inhibitors To Be Published
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7V7F
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![BU of 7v7f by Molmil](/molmil-images/mine/7v7f) | Cryo-EM structure of SARS-CoV-2 S-Kappa variant (B.1.617.1), one RBD-up conformation 2 | 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 glycoprotein | Authors: | Yang, T.J, Yu, P.Y, Chang, Y.C, Hsu, S.T.D. | Deposit date: | 2021-08-21 | Release date: | 2021-10-06 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Cryo-EM structure of SARS-CoV-2 S-Kappa variant (B.1.617.1), one RBD-up conformation 2 To Be Published
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