5KOE
 
 | | The structure of Arabidopsis thaliana FUT1 in complex with XXLG | | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ... | | Authors: | Alahuhta, P.M, Lunin, V.V. | | Deposit date: | 2016-06-30 | | Release date: | 2016-09-28 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Structural, mutagenic and in silico studies of xyloglucan fucosylation in Arabidopsis thaliana suggest a water-mediated mechanism.
Plant J., 91, 2017
|
|
1CFQ
 | | ANTI-P24 (HIV-1) FAB FRAGMENT CB41 | | Descriptor: | PROTEIN (IGG2A KAPPA ANTIBODY CB41 (HEAVY CHAIN)), PROTEIN (IGG2A KAPPA ANTIBODY CB41 (LIGHT CHAIN)) | | Authors: | Keitel, T, Kramer, A, Wessner, H, Scholz, C, Schneider-Mergener, J, Hoehne, W. | | Deposit date: | 1999-03-19 | | Release date: | 1999-03-30 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystallographic analysis of anti-p24 (HIV-1) monoclonal antibody cross-reactivity and polyspecificity.
Cell(Cambridge,Mass.), 91, 1997
|
|
5NB2
 | |
5L2M
 | | Structure of ALDH1A1 in complex with BUC11 | | Descriptor: | 2,3,5-trimethyl-6-[3-oxo-3-(piperidin-1-yl)propyl]-7H-furo[3,2-g][1]benzopyran-7-one, CHLORIDE ION, Retinal dehydrogenase 1, ... | | Authors: | Buchman, C.D, Hurley, T.D. | | Deposit date: | 2016-08-02 | | Release date: | 2017-03-08 | | Last modified: | 2019-12-04 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Inhibition of the Aldehyde Dehydrogenase 1/2 Family by Psoralen and Coumarin Derivatives.
J. Med. Chem., 60, 2017
|
|
5L31
 | |
2WUF
 | | Crystal structure of S114A mutant of HsaD from Mycobacterium tuberculosis in complex with 4,9DSHA | | Descriptor: | (3E,5R)-8-[(1S,3AR,4R,7AS)-1-HYDROXY-7A-METHYL-5-OXOOCTAHYDRO-1H-INDEN-4-YL]-5-METHYL-2,6-DIOXOOCT-3-ENOATE, 2-HYDROXY-6-OXO-6-PHENYLHEXA-2,4-DIENOATE HYDROLASE BPHD, GLYCEROL, ... | | Authors: | Lack, N.A, Yam, K.C, Lowe, E.D, Horsman, G.P, Owen, R, Sim, E, Eltis, L.D. | | Deposit date: | 2009-10-02 | | Release date: | 2009-10-20 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Characterization of a carbon-carbon hydrolase from Mycobacterium tuberculosis involved in cholesterol metabolism.
J. Biol. Chem., 285, 2010
|
|
5T5O
 | | LECTIN FROM BAUHINIA FORFICATA IN COMPLEX WITH TN-PEPTIDE | | Descriptor: | 2-acetamido-2-deoxy-alpha-D-galactopyranose, CALCIUM ION, Lectin, ... | | Authors: | Lubkowski, J, Wlodawer, A. | | Deposit date: | 2016-08-31 | | Release date: | 2016-12-28 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Structural analysis and unique molecular recognition properties of a Bauhinia forficata lectin that inhibits cancer cell growth.
FEBS J., 284, 2017
|
|
5L69
 | | Yeast 20S proteasome with mouse beta5i (1-138) and mouse beta6 (97-111; 118-133) in complex with epoxyketone inhibitor 16 | | Descriptor: | (2~{S})-3-(1~{H}-indol-3-yl)-~{N}-[(2~{S},3~{S},4~{R})-4-methyl-3,5-bis(oxidanyl)-1-phenyl-pentan-2-yl]-2-[[(2~{R})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ... | | Authors: | Groll, M, Huber, E.M. | | Deposit date: | 2016-05-28 | | Release date: | 2016-11-09 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | A humanized yeast proteasome identifies unique binding modes of inhibitors for the immunosubunit beta 5i.
EMBO J., 35, 2016
|
|
5L87
 | | Targeting the PEX14-PEX5 interaction by small molecules provides novel therapeutic routes to treat trypanosomiases. | | Descriptor: | 1,2-ETHANEDIOL, 5-(1~{H}-indol-3-ylmethyl)-1-methyl-~{N}-(naphthalen-1-ylmethyl)-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridine-3-carboxamide, Peroxin 14 | | Authors: | Dawidowski, M, Emmanouilidis, L, Sattler, M, Popowicz, G.M. | | Deposit date: | 2016-06-07 | | Release date: | 2017-03-08 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (0.87 Å) | | Cite: | Inhibitors of PEX14 disrupt protein import into glycosomes and kill Trypanosoma parasites.
Science, 355, 2017
|
|
5T7I
 | | Crystal structure of galectin-8N in complex with LNnT | | Descriptor: | Galectin-8, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | | Authors: | Bohari, M.H, Yu, X, Blanchard, H. | | Deposit date: | 2016-09-05 | | Release date: | 2017-01-04 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure-based rationale for differential recognition of lacto- and neolacto- series glycosphingolipids by the N-terminal domain of human galectin-8.
Sci Rep, 6, 2016
|
|
6HW6
 | | Yeast 20S proteasome in complex with 20 | | Descriptor: | MAGNESIUM ION, Probable proteasome subunit alpha type-7, Proteasome subunit alpha type-1, ... | | Authors: | Huber, E.M, Groll, M. | | Deposit date: | 2018-10-11 | | Release date: | 2019-01-30 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure-Based Design of Inhibitors Selective for Human Proteasome beta 2c or beta 2i Subunits.
J.Med.Chem., 62, 2019
|
|
6HVS
 | | Yeast 20S proteasome with human beta2i (1-53) in complex with 18 | | Descriptor: | (2~{S})-~{N}-[2-[[(2~{S})-1-[4-(aminomethyl)phenyl]-4-methylsulfonyl-butan-2-yl]amino]-2-oxidanylidene-ethyl]-2-[[(2~{S})-2-azido-3-phenyl-propanoyl]amino]-4-methyl-pentanamide, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Huber, E.M, Groll, M. | | Deposit date: | 2018-10-11 | | Release date: | 2019-01-30 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structure-Based Design of Inhibitors Selective for Human Proteasome beta 2c or beta 2i Subunits.
J.Med.Chem., 62, 2019
|
|
5L8X
 | |
5KIY
 | | p97 ND1-A232E in complex with VIMP | | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Selenoprotein S, ... | | Authors: | Tang, W.K, Xia, D. | | Deposit date: | 2016-06-17 | | Release date: | 2017-12-20 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.79 Å) | | Cite: | Structural basis for nucleotide-modulated p97 association with the ER membrane.
Cell Discov, 3, 2017
|
|
5NAU
 | | Torpedo californica acetylcholinesterase in complex with a non-chiral donepezil-like compound 20 | | Descriptor: | (2~{E})-5-methoxy-2-[[1-(phenylmethyl)piperidin-4-yl]methylidene]-3~{H}-inden-1-one, Acetylcholinesterase, alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Caliandro, R, Pesaresi, A, Lamba, D. | | Deposit date: | 2017-02-28 | | Release date: | 2018-05-02 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Kinetic and structural studies on the interactions of Torpedo californica acetylcholinesterase with two donepezil-like rigid analogues.
J Enzyme Inhib Med Chem, 33, 2018
|
|
5TCJ
 | | Crystal structure of tryptophan synthase from M. tuberculosis - aminoacrylate and BRD4592-bound form | | Descriptor: | (2R,3S,4R)-3-(2'-fluoro[1,1'-biphenyl]-4-yl)-4-(hydroxymethyl)azetidine-2-carbonitrile, 2-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]ACRYLIC ACID, CESIUM ION, ... | | Authors: | Michalska, K, Maltseva, N, Jedrzejczak, R, Wellington, S, Nag, P.P, Fisher, S.L, Schreiber, S.L, Hung, D.T, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2016-09-15 | | Release date: | 2017-05-31 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | A small-molecule allosteric inhibitor of Mycobacterium tuberculosis tryptophan synthase.
Nat. Chem. Biol., 13, 2017
|
|
5KIU
 | | VCP-interacting membrane protein (VIMP) | | Descriptor: | Selenoprotein S | | Authors: | Tang, W.K, Xia, D. | | Deposit date: | 2016-06-17 | | Release date: | 2017-12-27 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural basis for nucleotide-modulated p97 association with the ER membrane.
Cell Discov, 3, 2017
|
|
5KJ1
 | | G173A horse liver alcohol dehydrogenase complexed with NAD+ and pentafluorobenzyl alcohol | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL, Alcohol dehydrogenase E chain, ... | | Authors: | Plapp, B.V. | | Deposit date: | 2016-06-17 | | Release date: | 2016-07-06 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Dependence of crystallographic atomic displacement parameters on temperature (25-150 K) for complexes of horse liver alcohol dehydrogenase.
Acta Crystallogr D Struct Biol, 78, 2022
|
|
5NBG
 | |
5TE2
 | | Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with a mechanism-based inhibitor | | Descriptor: | 1,2-ETHANEDIOL, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Maize, K.M, Eiden, C, Aldrich, C.C, Finzel, B.C. | | Deposit date: | 2016-09-20 | | Release date: | 2017-05-31 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Rational Optimization of Mechanism-Based Inhibitors through Determination of the Microscopic Rate Constants of Inactivation.
J. Am. Chem. Soc., 139, 2017
|
|
5THR
 | | Cryo-EM structure of a BG505 Env-sCD4-17b-8ANC195 complex | | Descriptor: | 17b Fab VH domain, 17b Fab VL domain, 8ANC195 G52K5 VH domain, ... | | Authors: | Wang, H, Bjorkman, P.J. | | Deposit date: | 2016-09-30 | | Release date: | 2016-11-16 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (8.9 Å) | | Cite: | Cryo-EM structure of a CD4-bound open HIV-1 envelope trimer reveals structural rearrangements of the gp120 V1V2 loop.
Proc.Natl.Acad.Sci.USA, 113, 2016
|
|
5TE8
 | | Crystal structure of the midazolam-bound human CYP3A4 | | Descriptor: | 8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine, Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Sevrioukova, I, Poulos, T. | | Deposit date: | 2016-09-20 | | Release date: | 2016-12-07 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural basis for regiospecific midazolam oxidation by human cytochrome P450 3A4.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
|
|
5KNJ
 | | Pseudokinase Domain of MLKL bound to Compound 1. | | Descriptor: | 1-[4-[methyl-[2-[(3-sulfamoylphenyl)amino]pyrimidin-4-yl]amino]phenyl]-3-[4-(trifluoromethyloxy)phenyl]urea, Mixed lineage kinase domain-like protein | | Authors: | Marcotte, D.J. | | Deposit date: | 2016-06-28 | | Release date: | 2016-11-16 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.88 Å) | | Cite: | ATP-Competitive MLKL Binders Have No Functional Impact on Necroptosis.
Plos One, 11, 2016
|
|
5NHN
 | |
5TJ6
 | | Ca2+ bound aplysia Slo1 | | Descriptor: | (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, CALCIUM ION, High conductance calcium-activated potassium channel, ... | | Authors: | MacKinnon, R, Tao, X, Hite, R.K. | | Deposit date: | 2016-10-03 | | Release date: | 2016-12-14 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Cryo-EM structure of the open high-conductance Ca(2+)-activated K(+) channel.
Nature, 541, 2017
|
|
