6Z4N
 
 | | CRYSTAL STRUCTURE OF OASS COMPLEXED WITH UPAR INHIBITOR | | Descriptor: | (1~{S},2~{S})-1-[(4-methylphenyl)methyl]-2-phenyl-cyclopropane-1-carboxylic acid, COBALT (II) ION, Cysteine synthase A, ... | | Authors: | Demitri, N, Storici, P, Campanini, B. | | Deposit date: | 2020-05-25 | | Release date: | 2021-04-07 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Investigational Studies on a Hit Compound Cyclopropane-Carboxylic Acid Derivative Targeting O -Acetylserine Sulfhydrylase as a Colistin Adjuvant.
Acs Infect Dis., 7, 2021
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7RS0
 | | Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with DMERI-18 | | Descriptor: | (1R,2S,4R,5R,6R)-5-(4-hydroxyphenyl)-N-(4-methoxyphenyl)-6-(4-propoxyphenyl)-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]heptane-2-sulfonamide, Estrogen receptor | | Authors: | Min, J, Nwachukwu, J.C, Min, C.K, Njeri, J.W, Srinivasan, S, Rangarajan, E.S, Nettles, C.C, Yan, S, Houtman, R, Griffin, P.R, Izard, T, Katzenellenbogen, B.S, Katzenellenbogen, J.A, Nettles, K.W. | | Deposit date: | 2021-08-10 | | Release date: | 2021-09-08 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Dual-mechanism estrogen receptor inhibitors.
Proc.Natl.Acad.Sci.USA, 118, 2021
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6ZEZ
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2XEB
 | | NMR STRUCTURE OF THE PROTEIN-UNBOUND SPLICEOSOMAL U4 SNRNA 5' STEM LOOP | | Descriptor: | 5'-R(P*GP*AP*UP*CP*GP*UP*AP*GP*CP*CP*AP*AP*UP*GP*AP* GP*GP*UP*U)-3', 5'-R(P*GP*CP*CP*GP*AP*GP*GP*CP*GP*CP*GP*AP*UP*C)-3' | | Authors: | Falb, M, Amata, I, Gabel, F, Simon, B, Carlomagno, T. | | Deposit date: | 2010-05-12 | | Release date: | 2010-05-26 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structure of the K-turn U4 RNA: a combined NMR and SANS study.
Nucleic Acids Res., 38, 2010
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6ZF8
 | | Keap1 kelch domain bound to a small molecule inhibitor of the Keap1-Nrf2 protein-protein interaction | | Descriptor: | 1-[3-[2-hydroxy-2-oxoethyl-(3-methoxyphenyl)sulfonyl-amino]phenyl]-5-[(1~{S},2~{S})-2-phenylcyclopropyl]pyrazole-4-carboxylic acid, DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1, ... | | Authors: | Narayanan, D, Bach, A, Gajhede, M. | | Deposit date: | 2020-06-16 | | Release date: | 2021-04-14 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Deconstructing Noncovalent Kelch-like ECH-Associated Protein 1 (Keap1) Inhibitors into Fragments to Reconstruct New Potent Compounds.
J.Med.Chem., 64, 2021
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4FH5
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2YA5
 | | Crystal structure of Streptococcus pneumoniae NanA (TIGR4) in complex with sialic acid | | Descriptor: | CHLORIDE ION, FORMIC ACID, N-acetyl-alpha-neuraminic acid, ... | | Authors: | Gut, H, Xu, G, Taylor, G.L, Walsh, M.A. | | Deposit date: | 2011-02-18 | | Release date: | 2011-04-27 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural Basis for Streptococcus Pneumoniae Nana Inhibition by Influenza Antivirals Zanamivir and Oseltamivir Carboxylate.
J.Mol.Biol., 409, 2011
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6DA5
 | | Human CYP3A4 bound to an inhibitor | | Descriptor: | Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2R)-1-{[(2S)-1-oxo-3-phenyl-1-{[(pyridin-3-yl)methyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate | | Authors: | Sevrioukova, I.F. | | Deposit date: | 2018-05-01 | | Release date: | 2019-04-03 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structure-Activity Relationships of Rationally Designed Ritonavir Analogues: Impact of Side-Group Stereochemistry, Headgroup Spacing, and Backbone Composition on the Interaction with CYP3A4.
Biochemistry, 58, 2019
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6DAG
 | | Human CYP3A4 bound to an inhibitor | | Descriptor: | Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2R)-1-{[(2S)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate | | Authors: | Sevrioukova, I.F. | | Deposit date: | 2018-05-01 | | Release date: | 2019-04-03 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure-Activity Relationships of Rationally Designed Ritonavir Analogues: Impact of Side-Group Stereochemistry, Headgroup Spacing, and Backbone Composition on the Interaction with CYP3A4.
Biochemistry, 58, 2019
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8TLN
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5DO4
 | | Thrombin-RNA aptamer complex | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Pallan, P.S, Egli, M. | | Deposit date: | 2015-09-10 | | Release date: | 2016-09-14 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.859 Å) | | Cite: | Evoking picomolar binding in RNA by a single phosphorodithioate linkage.
Nucleic Acids Res., 44, 2016
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8SXO
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2YFU
 | | CBM62 FROM CLOSTRIDIUM THERMOCELLUM XYL5A | | Descriptor: | CALCIUM ION, CARBOHYDRATE BINDING FAMILY 6, GLYCEROL | | Authors: | Montanier, C.Y, Correia, M.A.S, Flint, J.E, Zhu, Y, Basle, A, Mckee, L.S, Prates, J.A.M, Polizzi, S.J, Coutinho, P.M, Henrissat, B, Fontes, C.M.G.A, Gilbert, H.J. | | Deposit date: | 2011-04-08 | | Release date: | 2011-05-18 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | A Novel, Noncatalytic Carbohydrate-Binding Module Displays Specificity for Galactose-Containing Polysaccharides Through Calcium-Mediated Oligomerization.
J.Biol.Chem., 286, 2011
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6D5B
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8SW0
 | | Puromycin sensitive aminopeptidase | | Descriptor: | 1,4-DIETHYLENE DIOXIDE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Puromycin-sensitive aminopeptidase, ... | | Authors: | Rodgers, D.W, Sampath, S. | | Deposit date: | 2023-05-17 | | Release date: | 2023-07-26 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.301 Å) | | Cite: | Structure of puromycin-sensitive aminopeptidase and polyglutamine binding.
Plos One, 18, 2023
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6L9C
 | | Neutron structure of copper amine oxidase from Arthrobacter glibiformis at pD 7.4 | | Descriptor: | COPPER (II) ION, Phenylethylamine oxidase, SODIUM ION | | Authors: | Murakawa, T, Kurihara, K, Shoji, M, Shibazaki, C, Sunami, T, Tamada, T, Yano, N, Yamada, T, Kusaka, K, Suzuki, M, Shigeta, Y, Kuroki, R, Hayashi, H, Yano, Y, Tanizawa, K, Adachi, M, Okajima, T. | | Deposit date: | 2019-11-08 | | Release date: | 2020-04-29 | | Last modified: | 2023-11-22 | | Method: | NEUTRON DIFFRACTION (1.14 Å), X-RAY DIFFRACTION | | Cite: | Neutron crystallography of copper amine oxidase reveals keto/enolate interconversion of the quinone cofactor and unusual proton sharing.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6D54
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6QXA
 | | Structure of membrane bound pyrophosphatase from Thermotoga maritima in complex with imidodiphosphate and N-[(2-amino-6-benzothiazolyl)methyl]-1H-indole-2-carboxamide (ATC) | | Descriptor: | (4S,5S)-1,2-DITHIANE-4,5-DIOL, IMIDODIPHOSPHORIC ACID, K(+)-stimulated pyrophosphate-energized sodium pump, ... | | Authors: | Vidilaseris, K, Goldman, A. | | Deposit date: | 2019-03-07 | | Release date: | 2019-04-10 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (3.41 Å) | | Cite: | Asymmetry in catalysis byThermotoga maritimamembrane-bound pyrophosphatase demonstrated by a nonphosphorus allosteric inhibitor.
Sci Adv, 5, 2019
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6DEC
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6L1A
 | | Crystal Structure of P450BM3 with N-enanthoyl-L-prolyl-L-phenylalanine | | Descriptor: | (2S)-2-[[(2S)-1-heptanoylpyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, DIMETHYL SULFOXIDE, ... | | Authors: | Shoji, O, Yonemura, K. | | Deposit date: | 2019-09-28 | | Release date: | 2020-09-30 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Systematic Evolution of Decoy Molecules for the Highly Efficient Hydroxylation of Benzene and Small Alkanes Catalyzed by Wild-Type Cytochrome P450BM3
Acs Catalysis, 10, 2020
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1MCT
 | | THE REFINED 1.6 ANGSTROMS RESOLUTION CRYSTAL STRUCTURE OF THE COMPLEX FORMED BETWEEN PORCINE BETA-TRYPSIN AND MCTI-A, A TRYPSIN INHIBITOR OF SQUASH FAMILY | | Descriptor: | BETA-TRYPSIN, CALCIUM ION, TRYPSIN INHIBITOR A | | Authors: | Huang, Q, Liu, S, Tang, Y. | | Deposit date: | 1992-10-24 | | Release date: | 1994-01-31 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Refined 1.6 A resolution crystal structure of the complex formed between porcine beta-trypsin and MCTI-A, a trypsin inhibitor of the squash family. Detailed comparison with bovine beta-trypsin and its complex.
J.Mol.Biol., 229, 1993
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6QD8
 | | EM structure of a EBOV-GP bound to 4M0368 neutralizing antibody | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein, Envelope glycoprotein,Virion spike glycoprotein,EBOV-GP1, ... | | Authors: | Diskin, R, Cohen-Dvashi, H. | | Deposit date: | 2019-01-01 | | Release date: | 2019-10-02 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | rVSV-ZEBOV induces a polyclonal and convergent B cell response with potent Ebola virus-neutralizing antibodies
Nat.Med. (N.Y.), 2019
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6DC6
 | | Crystal structure of human ubiquitin activating enzyme E1 (Uba1) in complex with ubiquitin | | Descriptor: | MAGNESIUM ION, PYROPHOSPHATE 2-, Ubiquitin, ... | | Authors: | Lv, Z, Yuan, L, Williams, K.M, Atkison, J.H, Olsen, S.K. | | Deposit date: | 2018-05-04 | | Release date: | 2018-10-10 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.14 Å) | | Cite: | Crystal structure of a human ubiquitin E1-ubiquitin complex reveals conserved functional elements essential for activity.
J. Biol. Chem., 293, 2018
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4FCI
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6DAV
 | | Crystal Structure of Human DHFR complexed with NADP and N10formyltetrahydrofolate | | Descriptor: | 1,2-ETHANEDIOL, Dihydrofolate reductase, N-(4-{[(2,4-diaminopteridin-6-yl)methyl](hydroxymethyl)amino}benzene-1-carbonyl)-L-glutamic acid, ... | | Authors: | Mayclin, S.J, Dranow, D.M, Lorimer, D.D. | | Deposit date: | 2018-05-02 | | Release date: | 2018-05-16 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Crystal Structure of Human DHFR complexed with NADP and N10formyltetrahydrofolate
to be published
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