6K37
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
5HGA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5hga by Molmil](/molmil-images/mine/5hga) | HLA*A2402 complex with HIV nef138 Y2F-8mer mutant epitope | Descriptor: | 8-mer from Protein Nef, Beta-2-microglobulin, HLA class I histocompatibility antigen, ... | Authors: | Shi, Y, Qi, J, Gao, G.F. | Deposit date: | 2016-01-08 | Release date: | 2016-06-08 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.199 Å) | Cite: | Effects of a Single Escape Mutation on T Cell and HIV-1 Co-adaptation. Cell Rep, 15, 2016
|
|
6K38
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6k38 by Molmil](/molmil-images/mine/6k38) | |
2ZNS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2zns by Molmil](/molmil-images/mine/2zns) | Crystal structure of the ligand-binding core of the human ionotropic glutamate receptor, GluR5, in complex with glutamate | Descriptor: | GLUTAMIC ACID, Glutamate receptor, ionotropic kainate 1 | Authors: | Unno, M, Sasaki, M, Ikeda-Saito, M. | Deposit date: | 2008-05-01 | Release date: | 2009-05-05 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Binding and Selectivity of the Marine Toxin Neodysiherbaine A and Its Synthetic Analogues to GluK1 and GluK2 Kainate Receptors. J.Mol.Biol., 413, 2011
|
|
1J1E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1j1e by Molmil](/molmil-images/mine/1j1e) | Crystal structure of the 52kDa domain of human cardiac troponin in the Ca2+ saturated form | Descriptor: | CALCIUM ION, Troponin C, Troponin I, ... | Authors: | Takeda, S, Yamashita, A, Maeda, K, Maeda, Y. | Deposit date: | 2002-12-03 | Release date: | 2003-07-15 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Structure of the core domain of human cardiac troponin in the Ca2+-saturated form Nature, 424, 2003
|
|
4L08
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4l08 by Molmil](/molmil-images/mine/4l08) | Crystal structure of the maleamate amidase Ami(C149A) in complex with maleate from Pseudomonas putida S16 | Descriptor: | Hydrolase, isochorismatase family, MALEIC ACID | Authors: | Chen, D.D, Lu, Y, Zhang, Z, Wu, G, Xu, P. | Deposit date: | 2013-05-31 | Release date: | 2014-07-16 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.66 Å) | Cite: | Structural insights into the specific recognition of N-heterocycle biodenitrogenation-derived substrates by microbial amide hydrolases. Mol.Microbiol., 91, 2014
|
|
6AKF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6akf by Molmil](/molmil-images/mine/6akf) | |
1J1D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1j1d by Molmil](/molmil-images/mine/1j1d) | Crystal structure of the 46kDa domain of human cardiac troponin in the Ca2+ saturated form | Descriptor: | CALCIUM ION, Troponin C, Troponin I, ... | Authors: | Takeda, S, Yamashita, A, Maeda, K, Maeda, Y. | Deposit date: | 2002-12-03 | Release date: | 2003-07-15 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Structure of the core domain of human cardiac troponin in the Ca2+-saturated form Nature, 424, 2003
|
|
2SNS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2sns by Molmil](/molmil-images/mine/2sns) | STAPHYLOCOCCAL NUCLEASE. PROPOSED MECHANISM OF ACTION BASED ON STRUCTURE OF ENZYME-THYMIDINE 3(PRIME),5(PRIME)-BIPHOSPHATE-CALCIUM ION COMPLEX AT 1.5-ANGSTROMS RESOLUTION | Descriptor: | CALCIUM ION, THERMONUCLEASE PRECURSOR, THYMIDINE-3',5'-DIPHOSPHATE | Authors: | Legg, M.J, Cotton, F.A, Hazen Jr, E.E. | Deposit date: | 1982-05-14 | Release date: | 1982-07-29 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Thesis, Texas Agricultural and Mechanical University, 1977
|
|
6AKG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6akg by Molmil](/molmil-images/mine/6akg) | |
3A3V
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3a3v by Molmil](/molmil-images/mine/3a3v) | Crystal structure of reducing-end-xylose releasing exo-oligoxylanase Y198F mutant | Descriptor: | GLYCEROL, NICKEL (II) ION, Xylanase Y | Authors: | Hidaka, M, Fushinobu, S, Honda, Y, Kitaoka, M. | Deposit date: | 2009-06-22 | Release date: | 2009-11-03 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | Structural explanation for the acquisition of glycosynthase activity J.Biochem., 147, 2010
|
|
3A7A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3a7a by Molmil](/molmil-images/mine/3a7a) | Crystal structure of E. coli lipoate-protein ligase A in complex with octyl-amp and apoH-protein | Descriptor: | ADENOSINE MONOPHOSPHATE, Glycine cleavage system H protein, Lipoate-protein ligase A, ... | Authors: | Fujiwara, K, Hosaka, H, Nakagawa, A. | Deposit date: | 2009-09-20 | Release date: | 2010-01-19 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Global conformational change associated with the two-step reaction catalyzed by Escherichia coli lipoate-protein ligase A. J.Biol.Chem., 285, 2010
|
|
3A7U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3a7u by Molmil](/molmil-images/mine/3a7u) | |
6AKE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ake by Molmil](/molmil-images/mine/6ake) | |
3X2N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3x2n by Molmil](/molmil-images/mine/3x2n) | Proton relay pathway in inverting cellulase | Descriptor: | Endoglucanase V-like protein, SULFATE ION | Authors: | Nakamura, A, Ishida, T, Fushinobu, S, Igarashi, K, Samejima, M. | Deposit date: | 2014-12-22 | Release date: | 2015-10-14 | Last modified: | 2019-12-18 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | "Newton's cradle" proton relay with amide-imidic acid tautomerization in inverting cellulase visualized by neutron crystallography. Sci Adv, 1, 2015
|
|
1RDS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1rds by Molmil](/molmil-images/mine/1rds) | CRYSTAL STRUCTURE OF RIBONUCLEASE MS (AS RIBONUCLEASE T1 HOMOLOGUE) COMPLEXED WITH A GUANYLYL-3',5'-CYTIDINE ANALOGUE | Descriptor: | 2'-FLUOROGUANYLYL-(3'-5')-PHOSPHOCYTIDINE, RIBONUCLEASE MS | Authors: | Nonaka, T, Nakamura, K.T, Mitsui, Y. | Deposit date: | 1993-05-14 | Release date: | 1993-10-31 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of ribonuclease Ms (as a ribonuclease T1 homologue) complexed with a guanylyl-3',5'-cytidine analogue. Biochemistry, 32, 1993
|
|
4L07
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4l07 by Molmil](/molmil-images/mine/4l07) | Crystal structure of the maleamate amidase Ami from Pseudomonas putida S16 | Descriptor: | GLYCEROL, Hydrolase, isochorismatase family, ... | Authors: | Chen, D.D, Lu, Y, Zhang, Z, Wu, G, Xu, P. | Deposit date: | 2013-05-30 | Release date: | 2014-07-16 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural insights into the specific recognition of N-heterocycle biodenitrogenation-derived substrates by microbial amide hydrolases. Mol.Microbiol., 91, 2014
|
|
7LXT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7lxt by Molmil](/molmil-images/mine/7lxt) | Structure of Plasmodium falciparum 20S proteasome with bound bortezomib | Descriptor: | 20S proteasome alpha-1 subunit, 20S proteasome alpha-2 subunit, 20S proteasome alpha-3 subunit, ... | Authors: | Morton, C.J, Metcalfe, R.D, Liu, B, Xie, S.C, Hanssen, E, Leis, A.P, Tilley, L, Griffin, M.D.W. | Deposit date: | 2021-03-05 | Release date: | 2021-09-22 | Last modified: | 2022-04-13 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Design of proteasome inhibitors with oral efficacy in vivo against Plasmodium falciparum and selectivity over the human proteasome. Proc.Natl.Acad.Sci.USA, 118, 2021
|
|
7LXU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7lxu by Molmil](/molmil-images/mine/7lxu) | Structure of Plasmodium falciparum 20S proteasome with bound MPI-5 | Descriptor: | 20S proteasome alpha-1 subunit, 20S proteasome alpha-2 subunit, 20S proteasome alpha-3 subunit, ... | Authors: | Metcalfe, R.D, Morton, C.J, Xie, S.C, Liu, B, Hanssen, E, Leis, A.P, Tilley, L, Griffin, M.D.W. | Deposit date: | 2021-03-05 | Release date: | 2021-09-22 | Last modified: | 2022-04-13 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Design of proteasome inhibitors with oral efficacy in vivo against Plasmodium falciparum and selectivity over the human proteasome. Proc.Natl.Acad.Sci.USA, 118, 2021
|
|
7LXV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7lxv by Molmil](/molmil-images/mine/7lxv) | Structure of human 20S proteasome with bound MPI-5 | Descriptor: | N-[(1R)-2-([1,1'-biphenyl]-4-yl)-1-boronoethyl]-1-methyl-L-prolinamide, Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, ... | Authors: | Metcalfe, R.D, Morton, C.J, Liu, B, Xie, S.C, Hanssen, E, Leis, A.P, Tilley, L, Griffin, M.D.W. | Deposit date: | 2021-03-05 | Release date: | 2021-09-22 | Last modified: | 2022-04-13 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Design of proteasome inhibitors with oral efficacy in vivo against Plasmodium falciparum and selectivity over the human proteasome. Proc.Natl.Acad.Sci.USA, 118, 2021
|
|
3X2M
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3x2m by Molmil](/molmil-images/mine/3x2m) | X-ray structure of PcCel45A with cellopentaose at 0.64 angstrom resolution. | Descriptor: | Endoglucanase V-like protein, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-alpha-D-glucopyranose, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | Authors: | Nakamura, A, Ishida, T, Samejima, M, Igarashi, K. | Deposit date: | 2014-12-22 | Release date: | 2015-10-14 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (0.64 Å) | Cite: | "Newton's cradle" proton relay with amide-imidic acid tautomerization in inverting cellulase visualized by neutron crystallography. Sci Adv, 1, 2015
|
|
3X2K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3x2k by Molmil](/molmil-images/mine/3x2k) | X-ray structure of PcCel45A D114N with cellopentaose at 95K. | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-methylpentane-1,5-diol, Endoglucanase V-like protein, ... | Authors: | Nakamura, A, Ishida, T, Samejima, M, Igarashi, K. | Deposit date: | 2014-12-22 | Release date: | 2015-10-07 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.182 Å) | Cite: | "Newton's cradle" proton relay with amide-imidic acid tautomerization in inverting cellulase visualized by neutron crystallography. Sci Adv, 1, 2015
|
|
3X2I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3x2i by Molmil](/molmil-images/mine/3x2i) | X-ray structure of PcCel45A N92D apo form at 298K. | Descriptor: | 3-methylpentane-1,5-diol, Endoglucanase V-like protein | Authors: | Nakamura, A, Ishida, T, Samejima, M, Igarashi, K. | Deposit date: | 2014-12-22 | Release date: | 2015-10-07 | Last modified: | 2019-12-18 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | "Newton's cradle" proton relay with amide-imidic acid tautomerization in inverting cellulase visualized by neutron crystallography. Sci Adv, 1, 2015
|
|
7LTY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7lty by Molmil](/molmil-images/mine/7lty) | Bruton's tyrosine kinase in complex with compound 23 | Descriptor: | DIMETHYL SULFOXIDE, Isoform BTK-C of Tyrosine-protein kinase BTK, ~{N}-[(5~{R})-2-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-6,7,8,9-tetrahydro-5~{H}-benzo[7]annulen-5-yl]-3-propan-2-yloxy-azetidine-1-carboxamide | Authors: | Metrick, C.M, Marcotte, D.J. | Deposit date: | 2021-02-20 | Release date: | 2022-01-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Discovery and Preclinical Characterization of BIIB091, a Reversible, Selective BTK Inhibitor for the Treatment of Multiple Sclerosis. J.Med.Chem., 65, 2022
|
|
7LTZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ltz by Molmil](/molmil-images/mine/7ltz) | Bruton's tyrosine kinase in complex with compound 51 | Descriptor: | 1-~{tert}-butyl-~{N}-[(5~{R})-8-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-(oxetan-3-yl)-1,3,4,5-tetrahydro-2-benzazepin-5-yl]-1,2,3-triazole-4-carboxamide, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ACETATE ION, ... | Authors: | Metrick, C.M, Marcotte, D.J. | Deposit date: | 2021-02-20 | Release date: | 2022-01-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Discovery and Preclinical Characterization of BIIB091, a Reversible, Selective BTK Inhibitor for the Treatment of Multiple Sclerosis. J.Med.Chem., 65, 2022
|
|