8K2G
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4TWL
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![BU of 4twl by Molmil](/molmil-images/mine/4twl) | Crystal structure of dioscorin complexed with ascorbate | Descriptor: | ASCORBIC ACID, Dioscorin 5, SULFATE ION | Authors: | Xue, Y.L, Miyakawa, T, Nakamura, A, Tanokura, M. | Deposit date: | 2014-07-01 | Release date: | 2015-04-01 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Yam Tuber Storage Protein Reduces Plant Oxidants Using the Coupled Reactions as Carbonic Anhydrase and Dehydroascorbate Reductase Mol Plant, 8, 2015
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6K37
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![BU of 6k37 by Molmil](/molmil-images/mine/6k37) | Crystal structure of BioU (K124A) from Synechocystis sp.PCC6803 in complex with NAD+ and the analog of reaction intermediate, 3-(1-aminoethyl)-nonanedioic acid | Descriptor: | (3R)-3-[(1R)-1-azanylethyl]nonanedioic acid, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Slr0355 protein | Authors: | Sakaki, K, Tomita, T, Nishiyama, M. | Deposit date: | 2019-05-16 | Release date: | 2020-02-26 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | A suicide enzyme catalyzes multiple reactions for biotin biosynthesis in cyanobacteria. Nat.Chem.Biol., 16, 2020
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3L1S
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5TMK
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![BU of 5tmk by Molmil](/molmil-images/mine/5tmk) | Optimization of 3,5-Disubstitued Piperidine: Discovery of Non-Peptide mimetics as an Orally Active Renin Inhibitor | Descriptor: | 1-(4-methoxybutyl)-N-(2-methylpropyl)-N-[(3S,5R)-5-(morpholine-4-carbonyl)piperidin-3-yl]-5-phenyl-1H-pyrrole-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ... | Authors: | Snell, G.P, Behnke, C.A, Okada, K, Hideyuki, O, Sang, B.C, Lane, W. | Deposit date: | 2016-10-13 | Release date: | 2017-10-18 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Optimization of 3,5-Disubstitued Piperidine: Discovery of Non-Peptide mimetics as an Orally Active Renin Inhibitor To be published
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5TMG
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![BU of 5tmg by Molmil](/molmil-images/mine/5tmg) | Optimization of 3,5-Disubstitued Piperidine: Discovery of Non-Peptide mimetics as an Orally Active Renin Inhibitor | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-(4-methoxybutyl)-N-(2-methylpropyl)-N-[(3S,5R)-5-(morpholine-4-carbonyl)piperidin-3-yl]-1-phenyl-1H-1,2,3-triazole-4-carboxamide, DI(HYDROXYETHYL)ETHER, ... | Authors: | Snell, G.P, Behnke, C.A, Okada, K, Hideyuki, O, Sang, B.C, Lane, W. | Deposit date: | 2016-10-12 | Release date: | 2017-10-18 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Optimization of 3,5-Disubstitued Piperidine: Discovery of Non-Peptide mimetics as an Orally Active Renin Inhibitor To be published
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5TMN
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![BU of 5tmn by Molmil](/molmil-images/mine/5tmn) | Slow-and fast-binding inhibitors of thermolysin display different modes of binding. crystallographic analysis of extended phosphonamidate transition-state analogues | Descriptor: | CALCIUM ION, N-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-L-leucyl-L-leucine, THERMOLYSIN, ... | Authors: | Holden, H.M, Tronrud, D.E, Monzingo, A.F, Weaver, L.H, Matthews, B.W. | Deposit date: | 1987-06-29 | Release date: | 1989-01-09 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Slow- and fast-binding inhibitors of thermolysin display different modes of binding: crystallographic analysis of extended phosphonamidate transition-state analogues. Biochemistry, 26, 1987
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2JPE
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![BU of 2jpe by Molmil](/molmil-images/mine/2jpe) | FHA domain of NIPP1 | Descriptor: | Nuclear inhibitor of protein phosphatase 1 | Authors: | Kumeta, H, Ogura, K, Fujioka, Y, Tanuma, N, Kikuchi, K, Inagaki, F. | Deposit date: | 2007-05-07 | Release date: | 2007-05-15 | Last modified: | 2024-05-08 | Method: | SOLUTION NMR | Cite: | The NMR structure of the NIPP1 FHA domain. J.Biomol.Nmr, 40, 2008
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8Q7S
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![BU of 8q7s by Molmil](/molmil-images/mine/8q7s) | Crystal structure of the SARS-CoV-2 RBD (Wuhan) with neutralizing VHHs Ma6F06 and Re21H01 | Descriptor: | 1,2-ETHANEDIOL, 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, GLYCEROL, ... | Authors: | Guttler, T, Aksu, M, Gorlich, D. | Deposit date: | 2023-08-16 | Release date: | 2023-12-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Nanobodies to multiple spike variants and inhalation of nanobody-containing aerosols neutralize SARS-CoV-2 in cell culture and hamsters. Antiviral Res., 221, 2023
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1I1Z
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![BU of 1i1z by Molmil](/molmil-images/mine/1i1z) | MUTANT HUMAN LYSOZYME (Q86D) | Descriptor: | LYSOZYME C | Authors: | Kuroki, R. | Deposit date: | 2001-02-05 | Release date: | 2001-02-28 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural and thermodynamic responses of mutations at a Ca2+ binding site engineered into human lysozyme. J.Biol.Chem., 273, 1998
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1I20
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![BU of 1i20 by Molmil](/molmil-images/mine/1i20) | MUTANT HUMAN LYSOZYME (A92D) | Descriptor: | LYSOZYME C | Authors: | Kuroki, R. | Deposit date: | 2001-02-05 | Release date: | 2001-02-28 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural and thermodynamic responses of mutations at a Ca2+ binding site engineered into human lysozyme. J.Biol.Chem., 273, 1998
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1I22
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![BU of 1i22 by Molmil](/molmil-images/mine/1i22) | MUTANT HUMAN LYSOZYME (A83K/Q86D/A92D) | Descriptor: | CALCIUM ION, LYSOZYME C | Authors: | Kuroki, R. | Deposit date: | 2001-02-05 | Release date: | 2001-02-28 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural and thermodynamic responses of mutations at a Ca2+ binding site engineered into human lysozyme. J.Biol.Chem., 273, 1998
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8IG0
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![BU of 8ig0 by Molmil](/molmil-images/mine/8ig0) | Crystal structure of menin in complex with DS-1594b | Descriptor: | (1R,2S,4R)-4-[[4-(5,6-dimethoxypyridazin-3-yl)phenyl]methylamino]-2-[methyl-[6-[2,2,2-tris(fluoranyl)ethyl]thieno[2,3-d]pyrimidin-4-yl]amino]cyclopentan-1-ol, DIMETHYL SULFOXIDE, Menin, ... | Authors: | Suzuki, M, Yoneyama, T, Imai, E. | Deposit date: | 2023-02-20 | Release date: | 2023-03-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | A novel Menin-MLL1 inhibitor, DS-1594a, prevents the progression of acute leukemia with rearranged MLL1 or mutated NPM1. Cancer Cell Int, 23, 2023
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8BHD
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![BU of 8bhd by Molmil](/molmil-images/mine/8bhd) | N-terminal domain of Plasmodium berghei glutamyl-tRNA synthetase (Tbxo4 derivative crystal structure) | Descriptor: | GLYCEROL, Glutamate--tRNA ligase, SULFATE ION, ... | Authors: | Benas, P, Jaramillo Ponce, J.R, Legrand, P, Frugier, M, Sauter, C. | Deposit date: | 2022-10-31 | Release date: | 2023-01-25 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (3.17 Å) | Cite: | Solution X-ray scattering highlights discrepancies in Plasmodium multi-aminoacyl-tRNA synthetase complexes. Protein Sci., 32, 2023
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4V7N
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![BU of 4v7n by Molmil](/molmil-images/mine/4v7n) | Glycocyamine kinase, beta-beta homodimer from marine worm Namalycastis sp., with transition state analog Mg(II)-ADP-NO3-glycocyamine. | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, GUANIDINO ACETATE, Glycocyamine kinase beta chain, ... | Authors: | Lim, K, Pullalarevu, S, Herzberg, O. | Deposit date: | 2009-12-15 | Release date: | 2014-07-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural basis for the mechanism and substrate specificity of glycocyamine kinase, a phosphagen kinase family member. Biochemistry, 49, 2010
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8YVP
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![BU of 8yvp by Molmil](/molmil-images/mine/8yvp) | canine immunoproteasome 20S subunit in complex with compound 1 | Descriptor: | Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, Proteasome subunit alpha type-3, ... | Authors: | Kashima, A, Arai, Y. | Deposit date: | 2024-03-29 | Release date: | 2024-07-31 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | Optimization of alpha-amido boronic acids via cryo-electron microscopy analysis: Discovery of a novel highly selective immunoproteasome subunit LMP7 ( beta 5i)/LMP2 ( beta 1i) dual inhibitor. Bioorg.Med.Chem., 109, 2024
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8YPK
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![BU of 8ypk by Molmil](/molmil-images/mine/8ypk) | mouse proteasome 20S subunit in complex with compound 1 | Descriptor: | Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, Proteasome subunit alpha type-3, ... | Authors: | Kashima, A, Arai, Y. | Deposit date: | 2024-03-17 | Release date: | 2024-07-31 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Optimization of alpha-amido boronic acids via cryo-electron microscopy analysis: Discovery of a novel highly selective immunoproteasome subunit LMP7 ( beta 5i)/LMP2 ( beta 1i) dual inhibitor. Bioorg.Med.Chem., 109, 2024
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8YVG
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![BU of 8yvg by Molmil](/molmil-images/mine/8yvg) | canine immunoproteasome 20S subunit in complex with compound 1 | Descriptor: | Proteasome subunit alpha type, Proteasome subunit beta, Proteasome subunit beta type-8, ... | Authors: | Kashima, A, Arai, Y. | Deposit date: | 2024-03-28 | Release date: | 2024-07-31 | Method: | ELECTRON MICROSCOPY (2 Å) | Cite: | Optimization of alpha-amido boronic acids via cryo-electron microscopy analysis: Discovery of a novel highly selective immunoproteasome subunit LMP7 ( beta 5i)/LMP2 ( beta 1i) dual inhibitor. Bioorg.Med.Chem., 109, 2024
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8YSX
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![BU of 8ysx by Molmil](/molmil-images/mine/8ysx) | canine immunoproteasome 20S subunit in complex with compound 2 | Descriptor: | Proteasome subunit alpha type, Proteasome subunit beta, Proteasome subunit beta type-8, ... | Authors: | Kashima, A, Arai, Y. | Deposit date: | 2024-03-24 | Release date: | 2024-07-31 | Method: | ELECTRON MICROSCOPY (2.2 Å) | Cite: | Optimization of alpha-amido boronic acids via cryo-electron microscopy analysis: Discovery of a novel highly selective immunoproteasome subunit LMP7 ( beta 5i)/LMP2 ( beta 1i) dual inhibitor. Bioorg.Med.Chem., 109, 2024
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1IQW
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![BU of 1iqw by Molmil](/molmil-images/mine/1iqw) | CRYSTAL STRUCTURE OF THE FAB FRAGMENT OF THE MOUSE ANTI-HUMAN FAS ANTIBODY HFE7A | Descriptor: | ANTIBODY M-HFE7A, HEAVY CHAIN, LIGHT CHAIN | Authors: | Ito, S, Takayama, T, Hanzawa, H, Ichikawa, K, Ohsumi, J, Serizawa, N, Hata, T, Haruyama, H. | Deposit date: | 2001-08-10 | Release date: | 2002-01-23 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of the antigen-binding fragment of apoptosis-inducing mouse anti-human Fas monoclonal antibody HFE7A. J.Biochem., 131, 2002
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4TLN
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3DZO
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![BU of 3dzo by Molmil](/molmil-images/mine/3dzo) | Crystal structure of a rhoptry kinase from toxoplasma gondii | Descriptor: | MAGNESIUM ION, Rhoptry kinase domain | Authors: | Wernimont, A.K, Lam, A, Ali, A, Lin, Y.H, Ni, S, Ravichandran, M, Wasney, G, Vedadi, M, Kozieradzki, I, Schapira, M, Bochkarev, A, Wilkstrom, M, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Sibley, D, Hui, R, Qiu, W, Structural Genomics Consortium (SGC) | Deposit date: | 2008-07-30 | Release date: | 2008-09-16 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Novel structural and regulatory features of rhoptry secretory kinases in Toxoplasma gondii. Embo J., 28, 2009
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7BNV
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![BU of 7bnv by Molmil](/molmil-images/mine/7bnv) | Crystal Structure of the SARS-CoV-2 Receptor Binding Domain in Complex with Antibody ION-300 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy Chain, Light Chain, ... | Authors: | Hall, G, Cowan, R, Carr, M. | Deposit date: | 2021-01-22 | Release date: | 2021-11-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Cross-Reactive SARS-CoV-2 Neutralizing Antibodies From Deep Mining of Early Patient Responses. Front Immunol, 12, 2021
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2DPT
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7NP1
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![BU of 7np1 by Molmil](/molmil-images/mine/7np1) | Crystal Structure of the SARS-CoV-2 Receptor Binding Domain in Complex with Antibody ION-360 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Immunoblobulin light chain, Immunoglobulin gamma-1 heavy chain, ... | Authors: | Hall, G, Cowan, R, Carr, M. | Deposit date: | 2021-02-26 | Release date: | 2021-11-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Cross-Reactive SARS-CoV-2 Neutralizing Antibodies From Deep Mining of Early Patient Responses. Front Immunol, 12, 2021
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