7RIE
 
 | | Plasmodium falciparum M17 in complex with inhibitor MIPS2571 | | Descriptor: | CARBONATE ION, M17 leucyl aminopeptidase, N-{(1R)-2-(hydroxyamino)-1-[4'-(hydroxymethyl)[1,1'-biphenyl]-4-yl]-2-oxoethyl}-2,2-dimethylpropanamide, ... | | Authors: | Webb, C.T, McGowan, S. | | Deposit date: | 2021-07-19 | | Release date: | 2022-09-14 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | Genetic and chemical validation of Plasmodium falciparum aminopeptidase Pf A-M17 as a drug target in the hemoglobin digestion pathway.
Elife, 11, 2022
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6I5S
 | | AH, Bottromycin amidohydrolase | | Descriptor: | CHLORIDE ION, GLYCEROL, ZINC ION, ... | | Authors: | Koehnke, J, Sikandar, A. | | Deposit date: | 2018-11-14 | | Release date: | 2019-09-25 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Thiazoline-Specific Amidohydrolase PurAH Is the Gatekeeper of Bottromycin Biosynthesis.
J.Am.Chem.Soc., 141, 2019
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6GDV
 | | Structure of CutA from Synechococcus elongatus PCC7942 complexed with Bis-Tris molecule | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Periplasmic divalent cation tolerance protein | | Authors: | Tremino, L, Rubio, V. | | Deposit date: | 2018-04-24 | | Release date: | 2019-05-08 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Functional and structural characterization of PII-like protein CutA does not support involvement in heavy metal tolerance and hints at a small-molecule carrying/signaling role.
Febs J., 2020
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7ACQ
 | | CRYSTAL STRUCTURE OF INACTIVE KRAS G12D (GDP) IN COMPLEX WITH THE SOAKED DIMERIC INHIBITOR BI-5747 | | Descriptor: | (3~{S})-5-oxidanyl-3-[2-[[6-[[3-[(1~{S})-6-oxidanyl-3-oxidanylidene-1,2-dihydroisoindol-1-yl]-1~{H}-indol-2-yl]methylamino]hexylamino]methyl]-1~{H}-indol-3-yl]-2,3-dihydroisoindol-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Kessler, D. | | Deposit date: | 2020-09-11 | | Release date: | 2020-11-18 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | CRYSTAL STRUCTURE OF INACTIVE KRAS G12D (GDP) IN COMPLEX WITH THE SOAKED DIMERIC INHIBITOR BI00925747
To Be Published
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6R85
 | | Structure of Arabidopsis thaliana GLR3.3 ligand-binding domain in complex with L-glutamate | | Descriptor: | 1,2-ETHANEDIOL, GLUTAMIC ACID, Glutamate receptor 3.3,Glutamate receptor 3.3, ... | | Authors: | Alfieri, A, Pederzoli, R, Costa, A. | | Deposit date: | 2019-03-31 | | Release date: | 2020-01-01 | | Last modified: | 2020-01-15 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The structural bases for agonist diversity in anArabidopsis thalianaglutamate receptor-like channel.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6I5Z
 | | Papaver somniferum O-methyltransferase | | Descriptor: | O-methyltransferase 1, S-ADENOSYL-L-HOMOCYSTEINE, S-ADENOSYLMETHIONINE | | Authors: | Davies, G.J, Cabry, M.P, Offen, W.A. | | Deposit date: | 2018-11-15 | | Release date: | 2019-03-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structure of Papaver somniferum O-Methyltransferase 1 Reveals Initiation of Noscapine Biosynthesis with Implications for Plant Natural Product Methylation
Acs Catalysis, 2019
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6D4T
 | | M. thermoresistible GuaB2 delta-CBS in complex with inhibitor Compound 45 (VCC117054) | | Descriptor: | (2S)-N-(2H-1,3-benzodioxol-5-yl)-4-[(isoquinolin-5-yl)sulfonyl]-2-methylpiperazine-1-carboxamide, INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase | | Authors: | Ascher, D.B, Pacitto, A, Blundell, T.L. | | Deposit date: | 2018-04-18 | | Release date: | 2019-05-01 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Synthesis and Structure-Activity relationship of 1-(5-isoquinolinesulfonyl)piperazine analogues as inhibitors of Mycobacterium tuberculosis IMPDH.
Eur.J.Med.Chem., 174, 2019
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7MLR
 | | X-ray crystal structure of human BRD4(D1) in complex with 2-(4-{5-[6-(3,5-dimethylphenoxy)pyridin-2-yl]-4-methyl-1H-1,2,3-triazol-1- yl}piperidin-1-yl)-N,N-dimethylethan-1-amine (DW34) | | Descriptor: | 1,2-ETHANEDIOL, 2-(4-{5-[6-(3,5-dimethylphenoxy)pyridin-2-yl]-4-methyl-1H-1,2,3-triazol-1-yl}piperidin-1-yl)-N,N-dimethylethan-1-amine, Bromodomain-containing protein 4, ... | | Authors: | Cui, H, Shi, K, Aihara, H, Pomerantz, W.C.K. | | Deposit date: | 2021-04-28 | | Release date: | 2021-07-28 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | 4-Methyl-1,2,3-Triazoles as N -Acetyl-Lysine Mimics Afford Potent BET Bromodomain Inhibitors with Improved Selectivity.
J.Med.Chem., 64, 2021
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5TOK
 | | Crystal structure of the RSV F glycoprotein in complex with the neutralizing single-domain antibody F-VHH-L66 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Fusion glycoprotein F0, Fibritin chimera, ... | | Authors: | Gilman, M.S.A, Kabeche, S.C, McLellan, J.S. | | Deposit date: | 2016-10-17 | | Release date: | 2017-02-22 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.8 Å) | | Cite: | Potent single-domain antibodies that arrest respiratory syncytial virus fusion protein in its prefusion state.
Nat Commun, 8, 2017
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6ZOR
 | | Oestrogen receptor ligand binding domain in complex with compound 28 | | Descriptor: | 6-[(6~{S},8~{R})-8-methyl-7-[2,2,2-tris(fluoranyl)ethyl]-3,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-~{N}-(1-propylazetidin-3-yl)pyridin-3-amine, Estrogen receptor | | Authors: | Breed, J. | | Deposit date: | 2020-07-07 | | Release date: | 2021-01-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Discovery of AZD9833, a Potent and Orally Bioavailable Selective Estrogen Receptor Degrader and Antagonist.
J.Med.Chem., 63, 2020
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6IDS
 | | Crystal structure of Vibrio cholerae MATE transporter VcmN D35N mutant | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, MATE family efflux transporter | | Authors: | Kusakizako, T, Claxton, D.P, Tanaka, Y, Maturana, A.D, Kuroda, T, Ishitani, R, Mchaourab, H.S, Nureki, O. | | Deposit date: | 2018-09-11 | | Release date: | 2019-01-16 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.79 Å) | | Cite: | Structural Basis of H+-Dependent Conformational Change in a Bacterial MATE Transporter.
Structure, 27, 2019
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5TPR
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5HQ0
 | | Ternary complex of human proteins CDK1, Cyclin B and CKS2, bound to an inhibitor | | Descriptor: | Cyclin-dependent kinase 1, Cyclin-dependent kinases regulatory subunit 2, G2/mitotic-specific cyclin-B1, ... | | Authors: | Noble, M.E, Martin, M.P, Korolchuk, S, Brown, N.R, Moukhametzianov, R, Stanley, W.A. | | Deposit date: | 2016-01-21 | | Release date: | 2016-03-02 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | CDK1 structures reveal conserved and unique features of the essential cell cycle CDK.
Nat Commun, 6, 2015
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6R8C
 | | HIV capsid hexamer with IP5 ligand | | Descriptor: | Gag polyprotein, MYO-INOSITOL-(1,3,4,5,6)-PENTAKISPHOSPHATE | | Authors: | James, L.C. | | Deposit date: | 2019-04-01 | | Release date: | 2020-05-06 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | HIV hexamer
to be published
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5TPJ
 | | Crystal structure of a de novo designed protein with curved beta-sheet | | Descriptor: | denovo NTF2 | | Authors: | Basanta, B, Oberdorfer, G, Marcos, E, Chidyausiku, T.M, Sankaran, B, Baker, D. | | Deposit date: | 2016-10-20 | | Release date: | 2017-01-25 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (3.101 Å) | | Cite: | Principles for designing proteins with cavities formed by curved beta sheets.
Science, 355, 2017
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5HQL
 | | Structure function studies of R. palustris RubisCO (A47V-M331A mutant; CABP-bound; no expression tag) | | Descriptor: | 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, MAGNESIUM ION, Ribulose bisphosphate carboxylase | | Authors: | Arbing, M.A, Shin, A, Cascio, D, Satagopan, S, North, J.A, Tabita, F.R. | | Deposit date: | 2016-01-21 | | Release date: | 2017-01-25 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.53 Å) | | Cite: | Structure function studies of R. palustris RubisCO
To Be Published
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6R40
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6I6U
 | | Circular permutant of ribosomal protein S6, adding 9aa to N terminal of P81-82, L75A mutant | | Descriptor: | 30S ribosomal protein S6,30S ribosomal protein S6 | | Authors: | Wang, H, Logan, D.T, Oliveberg, M. | | Deposit date: | 2018-11-15 | | Release date: | 2019-11-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Exposing the distinctive modular behavior of beta-strands and alpha-helices in folded proteins.
Proc.Natl.Acad.Sci.USA, 117, 2020
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5TRQ
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5HSW
 | | KSHV SOX RNA complex | | Descriptor: | ACETATE ION, ORF 37, RNA (5'-R(P*UP*CP*UP*UP*GP*AP*AP*GP*CP*AP*GP*CP*UP*UP*CP*CP*AP*G)-3') | | Authors: | Barrett, T.E. | | Deposit date: | 2016-01-26 | | Release date: | 2017-02-01 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | KSHV SOX mediated host shutoff: the molecular mechanism underlying mRNA transcript processing.
Nucleic Acids Res., 45, 2017
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7MFK
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6ZMP
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8B35
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6R4C
 | | Aurora-A in complex with shape-diverse fragment 57 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, CHLORIDE ION, ... | | Authors: | Bayliss, R, McIntyre, P.J. | | Deposit date: | 2019-03-22 | | Release date: | 2019-05-01 | | Last modified: | 2019-07-10 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Construction of a Shape-Diverse Fragment Set: Design, Synthesis and Screen against Aurora-A Kinase.
Chemistry, 25, 2019
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8B4J
 | | Rfa1-N-terminal domain in complex with phosphorylated Ddc2 | | Descriptor: | 1,2-ETHANEDIOL, DNA damage checkpoint protein LCD1, Replication factor A protein 1, ... | | Authors: | Yates, L.A, Zhang, X. | | Deposit date: | 2022-09-20 | | Release date: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | A DNA damage-induced phosphorylation circuit enhances Mec1 ATR Ddc2 ATRIP recruitment to Replication Protein A.
Proc.Natl.Acad.Sci.USA, 120, 2023
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