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6PGX
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BU of 6pgx by Molmil
Synthesis of novel tellurides bearing benzensulfonamide moiety as carbonic anhydrase inhibitors with antitumor activity
Descriptor: 4-[(2S)-2-hydroxy-3-{[(2R)-2-hydroxy-3-(4-sulfamoylphenoxy)propyl]tellanyl}propoxy]benzene-1-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Peat, T.S.
Deposit date:2019-06-25
Release date:2019-08-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Synthesis of novel tellurides bearing benzensulfonamide moiety as carbonic anhydrase inhibitors with antitumor activity.
Eur.J.Med.Chem., 181, 2019
7OB7
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BU of 7ob7 by Molmil
CPR-C4 - novel protease from the Candidate Phyla Radiation (CPR)
Descriptor: CPR-C4
Authors:Cornish, K.A.S, Pohl, E.
Deposit date:2021-04-21
Release date:2022-04-27
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.682 Å)
Cite:CPR-C4 is a highly conserved novel protease from the Candidate Phyla Radiation with remote structural homology to human vasohibins.
J.Biol.Chem., 298, 2022
6AY9
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BU of 6ay9 by Molmil
Structure of the native full-length HIV-1 capsid protein in complex with CPSF6 peptide
Descriptor: CHLORIDE ION, Cleavage and polyadenylation specificity factor subunit 6, HIV-1 capsid protein, ...
Authors:Gres, A.T, Kirby, K.A, Sarafianos, S.G.
Deposit date:2017-09-07
Release date:2018-09-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Multidisciplinary studies with mutated HIV-1 capsid proteins reveal structural mechanisms of lattice stabilization.
Nat Commun, 14, 2023
7O9N
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BU of 7o9n by Molmil
Crystal Structure of a Class D Carbapenemase Complexed with Bicarbonate
Descriptor: BICARBONATE ION, Beta-lactamase
Authors:Zhou, Q, He, Y, Jin, Y.
Deposit date:2021-04-16
Release date:2022-05-04
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:An Ion-Pair Induced Intermediate Complex Captured in Class D Carbapenemase Reveals Chloride Ion as a Janus Effector Modulating Activity
Acs Cent.Sci., 2023
8D1P
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BU of 8d1p by Molmil
Crystal structure of Plasmodium falciparum GRP78-NBD in complex with 7-Deaza-2'-C-methyladenosine
Descriptor: 7-(2-C-methyl-beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Chaperone DnaK, SULFATE ION
Authors:Mrozek, A, Chen, Y, Antoshchenko, T, Park, H.W.
Deposit date:2022-05-27
Release date:2023-05-31
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:A non-traditional crystal-based compound screening method targeting the ATP binding site of Plasmodium falciparum GRP78 for identification of novel nucleoside analogues.
Front Mol Biosci, 9, 2022
6PI8
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BU of 6pi8 by Molmil
Crystal structure of Marinobacter subterrani acetylpolyamine amidohydrolase (msAPAH) complexed with acetate
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Acetylpolyamine amidohydrolase, ...
Authors:Osko, J.D, Christianson, D.W.
Deposit date:2019-06-26
Release date:2019-09-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.635 Å)
Cite:Structure and Function of the Acetylpolyamine Amidohydrolase from the Deep Earth HalophileMarinobacter subterrani.
Biochemistry, 58, 2019
7T0Y
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BU of 7t0y by Molmil
The Ribosomal RNA Processing 1B Protein Phosphatase-1 Holoenzyme
Descriptor: 1,2-ETHANEDIOL, BROMIDE ION, FLUORIDE ION, ...
Authors:Srivastava, G, Page, R, Peti, W.
Deposit date:2021-11-30
Release date:2022-12-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The ribosomal RNA processing 1B:protein phosphatase 1 holoenzyme reveals non-canonical PP1 interaction motifs.
Cell Rep, 41, 2022
8DHL
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BU of 8dhl by Molmil
Tannerella forsythia beta-glucuronidase (L2)
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, Glycosyl hydrolase family 2, ...
Authors:Lietzan, A.D, Redinbo, M.R.
Deposit date:2022-06-27
Release date:2023-05-17
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Microbial beta-glucuronidases drive human periodontal disease etiology.
Sci Adv, 9, 2023
8DEO
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BU of 8deo by Molmil
Structure of AAP A domain and B-repeats (residues 351-813) from Staphylococcus epidermidis
Descriptor: Accumulation associated protein, CALCIUM ION, CHLORIDE ION
Authors:Harris, G, Whelan, F, Clark, L, Turkenburg, J.P, Potts, J.R.
Deposit date:2022-06-21
Release date:2023-05-03
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Staphylococcal Periscope proteins Aap, SasG, and Pls project noncanonical legume-like lectin adhesin domains from the bacterial surface.
J.Biol.Chem., 299, 2023
6PJ5
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BU of 6pj5 by Molmil
Time-resolved structural snapshot of proteolysis by GlpG inside the membrane
Descriptor: Peptide aldehyde inhibitor, Rhomboid protease GlpG
Authors:Urban, S, Cho, S.
Deposit date:2019-06-27
Release date:2019-10-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Ten catalytic snapshots of rhomboid intramembrane proteolysis from gate opening to peptide release.
Nat.Struct.Mol.Biol., 26, 2019
6AYL
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BU of 6ayl by Molmil
Human adipocyte lipid-binding protein FABP4 in complex with fluorescein
Descriptor: 2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-YL)-BENZOIC ACID, Fatty acid-binding protein, adipocyte
Authors:Pozharski, E.
Deposit date:2017-09-08
Release date:2018-09-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:To be published
To Be Published
7T3E
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BU of 7t3e by Molmil
Structure of the sialic acid bound Tripartite ATP-independent Periplasmic (TRAP) periplasmic component SiaP from Photobacterium profundum
Descriptor: N-acetyl-beta-neuraminic acid, SULFATE ION, TRAP-type C4-dicarboxylate transport system, ...
Authors:Davies, J.S, Currie, M.J, North, R.A, Dobson, R.C.J.
Deposit date:2021-12-07
Release date:2022-12-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.04 Å)
Cite:Structure and mechanism of a tripartite ATP-independent periplasmic TRAP transporter.
Nat Commun, 14, 2023
6V15
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BU of 6v15 by Molmil
immune receptor complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fibrinogen beta 72,74cit69-81, G08 TCR alpha chain, ...
Authors:Lim, J.J, Rossjohn, J.
Deposit date:2019-11-19
Release date:2020-11-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The shared susceptibility epitope of HLA-DR4 binds citrullinated self-antigens and the TCR.
Sci Immunol, 6, 2021
6LW8
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BU of 6lw8 by Molmil
Structural basis for domain rotation during adenylation of active site K123 and fragment library screening against NAD+ -dependent DNA ligase from Mycobacterium tuberculosis
Descriptor: (4R)-4-(4-fluorophenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine, DNA ligase A, GLYCEROL, ...
Authors:Ramachandran, R, Afsar, M, Shukla, A.
Deposit date:2020-02-07
Release date:2021-02-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.401 Å)
Cite:Structure based identification of first-in-class fragment inhibitors that target the NMN pocket of M. tuberculosis NAD + -dependent DNA ligase A.
J.Struct.Biol., 213, 2021
8DHV
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BU of 8dhv by Molmil
Treponema lecithinolyticum beta-glucuronidase
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Glycosyl hydrolase family 2, ...
Authors:Lietzan, A.D, Redinbo, M.R.
Deposit date:2022-06-28
Release date:2023-05-17
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Microbial beta-glucuronidases drive human periodontal disease etiology.
Sci Adv, 9, 2023
6PED
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BU of 6ped by Molmil
Crystal structure of HEMK2-TRMT112 complex
Descriptor: Methyltransferase N6AMT1, Multifunctional methyltransferase subunit TRM112-like protein, S-ADENOSYL-L-HOMOCYSTEINE, ...
Authors:Dong, C, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2019-06-20
Release date:2019-07-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of HEMK2-TRMT112 complex
To Be Published
8D7N
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BU of 8d7n by Molmil
Human Casein kinase 1 delta in complex with phosphorylated human PERIOD2 FASP peptide
Descriptor: Casein kinase I isoform delta, Period circadian protein homolog 2 peptide
Authors:Philpott, J.M, Freeberg, A.M, Tripathi, S.M, Partch, C.L.
Deposit date:2022-06-07
Release date:2023-05-17
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:PERIOD phosphorylation leads to feedback inhibition of CK1 activity to control circadian period.
Mol.Cell, 83, 2023
7OBH
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BU of 7obh by Molmil
Crystal structure of 14-3-3 sigma in complex with NPM1 phosphopeptide and stabilizer Fusicoccin-A
Descriptor: 14-3-3 protein sigma, CHLORIDE ION, FUSICOCCIN, ...
Authors:Centorrino, F, Andlovic, B, Ottmann, C.
Deposit date:2021-04-22
Release date:2022-05-04
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:IFN alpha primes cancer cells for Fusicoccin-induced cell death via 14-3-3 PPI stabilization.
Cell Chem Biol, 2023
7T0Q
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BU of 7t0q by Molmil
human triosephosphate isomerase mutant v154m
Descriptor: 2-PHOSPHOGLYCOLIC ACID, GLYCEROL, ISOPROPYL ALCOHOL, ...
Authors:Romero, J.M.
Deposit date:2021-11-30
Release date:2022-12-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:human triosephosphate isomerase mutant v154m
To Be Published
8PP4
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BU of 8pp4 by Molmil
Binary crystal structure of positively supercharged ferritin variant Ftn(pos) and reduced charge negatively supercharged ferritin variant Ftn(neg)-m3 (Mg formate condition)
Descriptor: CHLORIDE ION, FE (III) ION, Ferritin heavy chain, ...
Authors:Lang, L, Beck, T.
Deposit date:2023-07-06
Release date:2023-12-27
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.999 Å)
Cite:Assembly Requirements for the Construction of Large-Scale Binary Protein Structures.
Biomacromolecules, 25, 2024
7OCU
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BU of 7ocu by Molmil
Mannitol-1-phosphate bound to the phosphatase domain of the bifunctional mannitol-1-phosphate dehydrogenase/phosphatase MtlD-N374A from Acinetobacter baumannii
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, BETA-MERCAPTOETHANOL, CHLORIDE ION, ...
Authors:Tam, H.K, Mueller, V, Pos, K.M.
Deposit date:2021-04-28
Release date:2022-04-27
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Unidirectional mannitol synthesis of Acinetobacter baumannii MtlD is facilitated by the helix-loop-helix-mediated dimer formation.
Proc.Natl.Acad.Sci.USA, 119, 2022
7OBX
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BU of 7obx by Molmil
Crystal structure of 14-3-3 sigma in complex with SSBP4 phosphopeptide
Descriptor: 14-3-3 protein sigma, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Centorrino, F, Andlovic, B, Ottmann, C.
Deposit date:2021-04-23
Release date:2022-05-04
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:IFN alpha primes cancer cells for Fusicoccin-induced cell death via 14-3-3 PPI stabilization.
Cell Chem Biol, 2023
8DHW
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BU of 8dhw by Molmil
Treponema lecithinolyticum beta-glucuronidase in complex with a UNC4917-glucuronide conjugate
Descriptor: 4-(4-beta-D-glucopyranuronosylpiperazin-1-yl)-2,7-bis(methylamino)pyrido[3',2':4,5]thieno[3,2-d]pyrimidine, Glycosyl hydrolase family 2, TIM barrel domain protein, ...
Authors:Lietzan, A.D, Redinbo, M.R.
Deposit date:2022-06-28
Release date:2023-05-17
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Microbial beta-glucuronidases drive human periodontal disease etiology.
Sci Adv, 9, 2023
6M0F
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BU of 6m0f by Molmil
X-ray structure of Drosophila dopamine transporter with subsiteB mutations (D121G/S426M) in substrate-free form
Descriptor: 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, Antibody fragment (9D5) Light chain, Antibody fragment (9D5) heavy chain, ...
Authors:Shabareesh, P, Mallela, A.K, Joseph, D, Penmatsa, A.
Deposit date:2020-02-21
Release date:2021-02-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structural basis of norepinephrine recognition and transport inhibition in neurotransmitter transporters.
Nat Commun, 12, 2021
8CRZ
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BU of 8crz by Molmil
Crystal structure of alien DNA CTSZZPBSBSZPPBAG in a tetragonal lattice
Descriptor: DNA (5'-D(*CP*TP*(JSP)P*(1W5)P*(1W5)P*(1WA)P*(IGU)P*(JSP))-3'), DNA (5'-D(P*(IGU)P*(JSP)P*(1W5)P*(1WA)P*(1WA)P*(IGU)P*AP*G)-3')
Authors:Georgiadis, M.M.
Deposit date:2022-05-12
Release date:2023-05-17
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Alien DNA visualized at high resolution in A- and B-forms
To Be Published

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PDB entries from 2024-08-21

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