8GZM
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![BU of 8gzm by Molmil](/molmil-images/mine/8gzm) | |
8GZK
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6JBT
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![BU of 6jbt by Molmil](/molmil-images/mine/6jbt) | Complex structure of toripalimab-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, Heavy chain, ... | Authors: | Guo, L, Tan, S, Chai, Y, Qi, J, Gao, G.F, Yan, J. | Deposit date: | 2019-01-26 | Release date: | 2019-06-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.47 Å) | Cite: | Glycosylation-independent binding of monoclonal antibody toripalimab to FG loop of PD-1 for tumor immune checkpoint therapy. Mabs, 11, 2019
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7D32
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![BU of 7d32 by Molmil](/molmil-images/mine/7d32) | The TBA-Pb2+ complex in P41212 space group | Descriptor: | DNA (5'-D(*GP*GP*TP*TP*GP*GP*TP*GP*TP*GP*GP*TP*TP*GP*G)-3'), LEAD (II) ION | Authors: | Liu, H.H, Gao, Y.Q, Sheng, J, Gan, J.H. | Deposit date: | 2020-09-18 | Release date: | 2021-09-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.707 Å) | Cite: | Structure-guided development of Pb 2+ -binding DNA aptamers. Sci Rep, 12, 2022
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7D33
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![BU of 7d33 by Molmil](/molmil-images/mine/7d33) | The Pb2+ complexed structure of TBA G8C mutant | Descriptor: | DNA (5'-D(*GP*GP*TP*TP*GP*GP*TP*CP*TP*GP*GP*TP*TP*GP*G)-3'), LEAD (II) ION | Authors: | Liu, H.H, Gao, Y.Q, Sheng, J, Gan, J.H. | Deposit date: | 2020-09-18 | Release date: | 2021-09-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.117 Å) | Cite: | Structure-guided development of Pb 2+ -binding DNA aptamers. Sci Rep, 12, 2022
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7D31
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![BU of 7d31 by Molmil](/molmil-images/mine/7d31) | The TBA-Pb2+ complex in P41212 space group | Descriptor: | DNA (5'-D(*GP*GP*TP*TP*GP*GP*TP*GP*TP*GP*GP*TP*TP*GP*G)-3'), LEAD (II) ION | Authors: | Liu, H.H, Gao, Y.Q, Sheng, J, Gan, J.H. | Deposit date: | 2020-09-18 | Release date: | 2021-09-22 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.396 Å) | Cite: | Structure-guided development of Pb 2+ -binding DNA aptamers. Sci Rep, 12, 2022
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7C88
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![BU of 7c88 by Molmil](/molmil-images/mine/7c88) | Complex structure of JS003 and PD-L1 | Descriptor: | JS003 Heavy chain, JS003 Light chain, Programmed cell death 1 ligand 1 | Authors: | Bi, X, Shi, R, Chai, Y, Qi, J, Yan, J, Tan, S. | Deposit date: | 2020-05-29 | Release date: | 2021-04-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.997 Å) | Cite: | Identification of a hotspot on PD-L1 for pH-dependent binding by monoclonal antibodies for tumor therapy. Signal Transduct Target Ther, 5, 2020
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7XAB
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![BU of 7xab by Molmil](/molmil-images/mine/7xab) | Crystal structure of PDE4D catalytic domain complexed with compound 22d | Descriptor: | 9-(cyclopropylmethoxy)-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-5-(pyridin-4-ylmethoxy)pyrano[3,2-b]xanthen-6-one, Isoform 3 of cAMP-specific 3',5'-cyclic phosphodiesterase 4D, MAGNESIUM ION, ... | Authors: | Huang, Y.-Y, He, X, Luo, H.-B. | Deposit date: | 2022-03-17 | Release date: | 2023-02-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.00067449 Å) | Cite: | Discovery of novel PDE4 inhibitors targeting the M-pocket from natural mangostanin with improved safety for the treatment of Inflammatory Bowel Diseases. Eur.J.Med.Chem., 242, 2022
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7XAA
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![BU of 7xaa by Molmil](/molmil-images/mine/7xaa) | Crystal structure of PDE4D catalytic domain complexed with compound 21d | Descriptor: | 8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-9-oxidanyl-5-(pyridin-4-ylmethoxy)pyrano[3,2-b]xanthen-6-one, Isoform 3 of cAMP-specific 3',5'-cyclic phosphodiesterase 4D, MAGNESIUM ION, ... | Authors: | Huang, Y.-Y, He, X, Luo, H.-B. | Deposit date: | 2022-03-17 | Release date: | 2023-02-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.100414 Å) | Cite: | Discovery of novel PDE4 inhibitors targeting the M-pocket from natural mangostanin with improved safety for the treatment of Inflammatory Bowel Diseases. Eur.J.Med.Chem., 242, 2022
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7VM8
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![BU of 7vm8 by Molmil](/molmil-images/mine/7vm8) | Crystal structure of the MtDMI1 gating ring | Descriptor: | Ion channel DMI1 | Authors: | Huang, X, Zhang, P. | Deposit date: | 2021-10-08 | Release date: | 2022-08-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.034 Å) | Cite: | Constitutive activation of a nuclear-localized calcium channel complex in Medicago truncatula. Proc.Natl.Acad.Sci.USA, 119, 2022
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7CPW
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![BU of 7cpw by Molmil](/molmil-images/mine/7cpw) | Complex structure of DNA with self-catalyzed depurination activity | Descriptor: | DNA (5'-D(*CP*GP*TP*GP*AP*TP*CP*GP*GP*AP*GP*AP*CP*GP*AP*TP*CP*AP*CP*G)-3'), DNA polymerase beta-like protein | Authors: | Gan, J.H. | Deposit date: | 2020-08-08 | Release date: | 2021-08-18 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.849 Å) | Cite: | Crystallization and Structural Determination of 8-17 DNAzyme. Methods Mol.Biol., 2439, 2022
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1CEF
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![BU of 1cef by Molmil](/molmil-images/mine/1cef) | CEFOTAXIME COMPLEXED WITH THE STREPTOMYCES R61 DD-PEPTIDASE | Descriptor: | CEFOTAXIME, C3' cleaved, open, ... | Authors: | Knox, J.R, Kuzin, A.P. | Deposit date: | 1995-01-12 | Release date: | 1996-10-14 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Binding of cephalothin and cefotaxime to D-ala-D-ala-peptidase reveals a functional basis of a natural mutation in a low-affinity penicillin-binding protein and in extended-spectrum beta-lactamases. Biochemistry, 34, 1995
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4USG
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![BU of 4usg by Molmil](/molmil-images/mine/4usg) | Crystal structure of PC4 W89Y mutant complex with DNA | Descriptor: | 5'-D(*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP *TP*TP*TP*TP*TP*G)-3', ACTIVATED RNA POLYMERASE II TRANSCRIPTIONAL COACTIVATOR P15 | Authors: | Zhao, Y, Liu, J. | Deposit date: | 2014-07-08 | Release date: | 2015-03-18 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.973 Å) | Cite: | Substitution of Tryptophan 89 with Tyrosine Switches the DNA Binding Mode of Pc4. Sci.Rep., 5, 2015
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5M8H
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![BU of 5m8h by Molmil](/molmil-images/mine/5m8h) | ATP phosphoribosyltransferase (HisZG ATPPRT) from Psychrobacter arcticus | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ATP phosphoribosyltransferase, ATP phosphoribosyltransferase regulatory subunit, ... | Authors: | Alphey, M.S, Ge, Y, Naismith, J.H, da Silva, R.G. | Deposit date: | 2016-10-28 | Release date: | 2017-09-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Kinetics and Structure of a Cold-Adapted Hetero-Octameric ATP Phosphoribosyltransferase. Biochemistry, 56, 2017
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6SSE
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![BU of 6sse by Molmil](/molmil-images/mine/6sse) | Transaminase with PMP bound | Descriptor: | 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, ForI-PMP, SULFATE ION | Authors: | Naismith, J.H, Gao, S. | Deposit date: | 2019-09-06 | Release date: | 2020-01-15 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | PMP-diketopiperazine adducts form at the active site of a PLP dependent enzyme involved in formycin biosynthesis. Chem.Commun.(Camb.), 55, 2019
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6SSF
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![BU of 6ssf by Molmil](/molmil-images/mine/6ssf) | Transaminase with LCS bound | Descriptor: | ForI-LCS, SULFATE ION, [4-[(~{Z})-[(2~{S},5~{S})-5-(azanyloxymethyl)-3,6-bis(oxidanylidene)piperazin-2-yl]methoxyiminomethyl]-6-methyl-5-oxidanyl-pyridin-3-yl]methyl dihydrogen phosphate | Authors: | Naismith, J.H, Gao, S. | Deposit date: | 2019-09-06 | Release date: | 2020-01-15 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | PMP-diketopiperazine adducts form at the active site of a PLP dependent enzyme involved in formycin biosynthesis. Chem.Commun.(Camb.), 55, 2019
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6SSD
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![BU of 6ssd by Molmil](/molmil-images/mine/6ssd) | Transaminase with PLP bound | Descriptor: | ForI-PLP, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION | Authors: | Naismith, J.H, Gao, S. | Deposit date: | 2019-09-06 | Release date: | 2020-01-15 | Method: | X-RAY DIFFRACTION (1.18 Å) | Cite: | PMP-diketopiperazine adducts form at the active site of a PLP dependent enzyme involved in formycin biosynthesis. Chem.Commun.(Camb.), 55, 2019
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3ZC4
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![BU of 3zc4 by Molmil](/molmil-images/mine/3zc4) | The structure of Csa5 from Sulfolobus solfataricus. | Descriptor: | DI(HYDROXYETHYL)ETHER, SSO1398 | Authors: | Reeks, J, Anderson, L, White, M.F, Naismith, J.H. | Deposit date: | 2012-11-15 | Release date: | 2013-02-20 | Last modified: | 2013-07-31 | Method: | X-RAY DIFFRACTION (2.72 Å) | Cite: | Structure of the Archaeal Cascade Subunit Csa5: Relating the Small Subunits of Crispr Effector Complexes. RNA Biol., 10, 2013
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2ICZ
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![BU of 2icz by Molmil](/molmil-images/mine/2icz) | NMR Structures of the Expanded DNA 10bp xTGxTAxCxGCxAxGT:xACTxGCGxTAxCA | Descriptor: | 5'-D(*(XAE)P*CP*TP*(XGA)P*CP*GP*(XTY)P*AP*(XCS)P*A)-3', 5'-D(*(XTY)P*GP*(XTY)P*AP*(XCS)P*(XGA)P*CP*(XAE)P*(XGA)P*T)-3' | Authors: | Lynch, S.R. | Deposit date: | 2006-09-13 | Release date: | 2006-11-21 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Toward a Designed, Functioning Genetic System with Expanded-Size Base Pairs: Solution Structure of the Eight-Base xDNA Double Helix. J.Am.Chem.Soc., 128, 2006
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7B17
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![BU of 7b17 by Molmil](/molmil-images/mine/7b17) | SARS-CoV-spike RBD bound to two neutralising nanobodies. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, SARS-CoV-2 neutralizing biparatopic nanobody VE,nanobody E from Lama glama,SARS-CoV-2 neutralizing biparatopic nanobody VE,nanobody E from Lama glama, Spike protein S1 | Authors: | Hallberg, B.M, Das, H. | Deposit date: | 2020-11-23 | Release date: | 2021-02-10 | Last modified: | 2022-12-21 | Method: | ELECTRON MICROSCOPY (4.01 Å) | Cite: | Structure-guided multivalent nanobodies block SARS-CoV-2 infection and suppress mutational escape Science, 371, 2021
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7B14
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![BU of 7b14 by Molmil](/molmil-images/mine/7b14) | Nanobody E bound to Spike-RBD in a localized reconstruction | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Nanobody against SARS-CoV-2, Spike protein S1 | Authors: | Hallberg, B.M, Das, H. | Deposit date: | 2020-11-23 | Release date: | 2021-04-28 | Last modified: | 2022-12-21 | Method: | ELECTRON MICROSCOPY (3.79 Å) | Cite: | Structure-guided multivalent nanobodies block SARS-CoV-2 infection and suppress mutational escape Science, 371, 2021
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7B18
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![BU of 7b18 by Molmil](/molmil-images/mine/7b18) | SARS-CoV-spike bound to two neutralising nanobodies | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Nanobody against SARS-CoV-2 VHH E, ... | Authors: | Hallberg, B.M, Das, H. | Deposit date: | 2020-11-24 | Release date: | 2021-04-28 | Method: | ELECTRON MICROSCOPY (2.62 Å) | Cite: | Structure-guided multivalent nanobodies block SARS-CoV-2 infection and suppress mutational escape. Science, 371, 2021
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7U2E
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![BU of 7u2e by Molmil](/molmil-images/mine/7u2e) | Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody ADI-55688 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ADI-55688 heavy chain, ADI-55688 light chain, ... | Authors: | Yuan, M, Zhu, X, Wilson, I.A. | Deposit date: | 2022-02-23 | Release date: | 2022-05-04 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | A broad and potent neutralization epitope in SARS-related coronaviruses. Proc.Natl.Acad.Sci.USA, 119, 2022
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7U2D
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![BU of 7u2d by Molmil](/molmil-images/mine/7u2d) | Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody ADG20 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ADG20 heavy chain, ADG20 light chain, ... | Authors: | Zhu, X, Yuan, M, Wilson, I.A. | Deposit date: | 2022-02-23 | Release date: | 2022-05-04 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.76 Å) | Cite: | A broad and potent neutralization epitope in SARS-related coronaviruses. Proc.Natl.Acad.Sci.USA, 119, 2022
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8X6B
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![BU of 8x6b by Molmil](/molmil-images/mine/8x6b) | Crystal structure of immune receptor PVRIG in complex with ligand Nectin-2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Nectin-2, Transmembrane protein PVRIG | Authors: | Hu, S.T, Han, P, Wang, H, Qi, J.X. | Deposit date: | 2023-11-21 | Release date: | 2024-04-24 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis for the immune recognition and selectivity of the immune receptor PVRIG for ligand Nectin-2. Structure, 2024
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