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PDB: 2924 results

6RSC
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BU of 6rsc by Molmil
Structure based optimization of JAK1-ATP binding pocket Inhibitors in the aminopyrazole class
Descriptor: 1-[4-(cyanomethyl)-1-[(4-phenylphenyl)methyl]piperidin-4-yl]-3-(cyclopropylcarbonylamino)pyrazole-4-carboxamide, Tyrosine-protein kinase JAK1
Authors:Brown, D.G, Lupardus, P.J.
Deposit date:2019-05-21
Release date:2020-07-08
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure based optimization of JAK1-ATP binding pocket Inhibitors in the aminopyrazole class
To Be Published
6S2R
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BU of 6s2r by Molmil
Mycobacterial hydrolase 2
Descriptor: CALCIUM ION, GLYCEROL, Glucosyl-3-phosphoglycerate phosphatase
Authors:Cereija, T.B, Vilela, F, Macedo-Ribeiro, S, Pereira, P.J.B.
Deposit date:2019-06-21
Release date:2020-07-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Mycobacterial hydrolase 2
to be published
6S0T
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BU of 6s0t by Molmil
The crystal structure of kanamycin B dioxygenase (KanJ) from Streptomyces kanamyceticus in complex with nickel, sulfate, soaked with iodide
Descriptor: IODIDE ION, Kanamycin B dioxygenase, NICKEL (II) ION, ...
Authors:Mrugala, B, Porebski, P.J, Niedzialkowska, E, Cymborowski, M.T, Minor, W, Borowski, T.
Deposit date:2019-06-18
Release date:2020-07-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A study on the structure, mechanism, and biochemistry of kanamycin B dioxygenase (KanJ)-an enzyme with a broad range of substrates.
Febs J., 288, 2021
6S6C
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BU of 6s6c by Molmil
Ground state structure of Archaerhodopsin-3 at 100K
Descriptor: Archaerhodopsin-3, CALCIUM ION, CHLORIDE ION, ...
Authors:Moraes, I, Judge, P.J, Axford, D, Kwan, T.O.C, Bada Juarez, J.F, Vinals, J, Watts, A.
Deposit date:2019-07-02
Release date:2020-07-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.07 Å)
Cite:Structures of the archaerhodopsin-3 transporter reveal that disordering of internal water networks underpins receptor sensitization.
Nat Commun, 12, 2021
7TPU
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BU of 7tpu by Molmil
Crystal structure of a chitinase-modifying protein from Fusarium vanettenii (Fvan-cmp)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-lactamase domain-containing protein, 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:Dowling, N.V, Naumann, T.A, Price, N.P.J, Rose, D.R.
Deposit date:2022-01-26
Release date:2023-02-15
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.194 Å)
Cite:Crystal structure of a polyglycine hydrolase determined using a RoseTTAFold model.
Acta Crystallogr D Struct Biol, 79, 2023
6SDY
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BU of 6sdy by Molmil
Solution structure of Staufen1 dsRBD4 - hARF1 SBS dsRNA complex.
Descriptor: Double-stranded RNA-binding protein Staufen homolog 1, hARF1 SBS dsRNA
Authors:Yadav, D.K, Lukavsky, P.J.
Deposit date:2019-07-29
Release date:2020-01-15
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Staufen1 reads out structure and sequence features in ARF1 dsRNA for target recognition.
Nucleic Acids Res., 48, 2020
2X79
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BU of 2x79 by Molmil
Inward facing conformation of Mhp1
Descriptor: Hydantoin permease
Authors:Shimamura, T, Weyand, S, Beckstein, O, Rutherford, N.G, Hadden, J.M, Sharples, D, Sansom, M.S.P, Iwata, S, Henderson, P.J.F, Cameron, A.D.
Deposit date:2010-02-25
Release date:2010-05-05
Last modified:2024-09-11
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:Molecular Basis of Alternating Access Membrane Transport by the Sodium-Hydantoin Transporter Mhp1.
Science, 328, 2010
7UMK
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BU of 7umk by Molmil
Structure of vesicular stomatitis virus (helical reconstruction, 4.1 A resolution)
Descriptor: Matrix protein, Nucleoprotein, RNA (5'-R(P*UP*UP*UP*UP*UP*UP*UP*UP*U)-3')
Authors:Jenni, S, Horwitz, J.A, Bloyet, L.-M, Whelan, S.P.J, Harrison, S.C.
Deposit date:2022-04-07
Release date:2022-04-20
Last modified:2024-02-14
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Visualizing molecular interactions that determine assembly of a bullet-shaped vesicular stomatitis virus particle.
Nat Commun, 13, 2022
7UML
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BU of 7uml by Molmil
Structure of vesicular stomatitis virus (local reconstruction, 3.5 A resolution)
Descriptor: Matrix protein, Nucleoprotein, RNA (5'-R(P*UP*UP*UP*UP*UP*UP*UP*UP*UP*UP*UP*UP*U)-3')
Authors:Jenni, S, Horwitz, J.A, Bloyet, L.-M, Whelan, S.P.J, Harrison, S.C.
Deposit date:2022-04-07
Release date:2022-04-20
Last modified:2024-02-14
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Visualizing molecular interactions that determine assembly of a bullet-shaped vesicular stomatitis virus particle.
Nat Commun, 13, 2022
6SQX
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BU of 6sqx by Molmil
Insights into a novel NlpC/P60 Endopeptidase from Photobacterium damselae subsp. piscicida
Descriptor: 1,2-ETHANEDIOL, BICARBONATE ION, CHLORIDE ION, ...
Authors:Lisboa, J, Pereira, P.J.B, dos Santos, N.M.S.
Deposit date:2019-09-04
Release date:2020-09-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:A Secreted NlpC/P60 Endopeptidase from Photobacterium damselae subsp. piscicida Cleaves the Peptidoglycan of Potentially Competing Bacteria.
Msphere, 6, 2021
6SS7
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BU of 6ss7 by Molmil
Human Leukocyte Antigen Class I A02 Carrying LLWAGPMAV
Descriptor: 1,2-ETHANEDIOL, Beta-2-microglobulin, GLYCEROL, ...
Authors:Rizkallah, P.J, Bovay, A.
Deposit date:2019-09-06
Release date:2020-07-15
Last modified:2020-07-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Identification of a superagonist variant of the immunodominant Yellow fever virus epitope NS4b214-222by combinatorial peptide library screening.
Mol.Immunol., 125, 2020
6R49
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BU of 6r49 by Molmil
Aurora-A in complex with shape-diverse fragment 39
Descriptor: (1~{S},10~{S})-12-cyclopropyl-1-oxidanyl-10-propan-2-yl-9,12-diazatricyclo[8.2.1.0^{2,7}]trideca-2(7),3,5-trien-11-one, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ...
Authors:Bayliss, R, McIntyre, P.J.
Deposit date:2019-03-22
Release date:2019-05-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.209 Å)
Cite:Construction of a Shape-Diverse Fragment Set: Design, Synthesis and Screen against Aurora-A Kinase.
Chemistry, 25, 2019
6QPO
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BU of 6qpo by Molmil
Adenovirus species D serotype 49 Fiber-Knob KO1 mutant
Descriptor: Fiber, SULFATE ION
Authors:Baker, A.T, Rizkallah, P.J.
Deposit date:2019-02-14
Release date:2020-08-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:The Fiber Knob Protein of Human Adenovirus Type 49 Mediates Highly Efficient and Promiscuous Infection of Cancer Cell Lines Using a Novel Cell Entry Mechanism.
J.Virol., 95, 2021
6SXN
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BU of 6sxn by Molmil
Crystal structure of P212121 apo form of CrtE
Descriptor: Geranylgeranyl pyrophosphate synthase
Authors:Feng, Y, Morgan, R.M.L, Nixon, P.J.
Deposit date:2019-09-26
Release date:2020-06-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:Crystal Structure of Geranylgeranyl Pyrophosphate Synthase (CrtE) Involved in Cyanobacterial Terpenoid Biosynthesis.
Front Plant Sci, 11, 2020
6R2L
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BU of 6r2l by Molmil
NYBR1-A2-SLSKILDTV
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-2-microglobulin, ...
Authors:Rizkallah, P.J, Cole, D.K, Sami, M.
Deposit date:2019-03-18
Release date:2020-02-26
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:NYBR1-A2-SLSKILDTV
To Be Published
6R1J
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BU of 6r1j by Molmil
Structure of the soluble AhlC triple head mutant of the tripartite alpha-pore forming toxin, AHL, from Aeromonas hydrophila.
Descriptor: SODIUM ION, Uncharacterized protein
Authors:Churchill-Angus, A.M, Wilson, J.S, Baker, P.J.
Deposit date:2019-03-14
Release date:2019-07-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Identification and structural analysis of the tripartite alpha-pore forming toxin of Aeromonas hydrophila.
Nat Commun, 10, 2019
6R4C
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BU of 6r4c by Molmil
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
5AC3
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BU of 5ac3 by Molmil
Crystal structure of PAM12A
Descriptor: ACETIC ACID, CADMIUM ION, PEPTIDE AMIDASE
Authors:Wu, B, Wijma, H.J, Song, L, Rozeboom, H.J, Poloni, C, Tian, Y, Arif, M.I, Nuijens, T, Quadflieg, P.J.L.M, Szymanski, W, Feringa, B.L, Janssen, D.B.
Deposit date:2015-08-11
Release date:2016-07-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Versatile Peptide C-Terminal Functionalization Via a Computationally Peptide Amidase
Acs Catalysis, 2016
6R4B
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Aurora-A in complex with shape-diverse fragment 56
Descriptor: (6~{S})-6-[2,4-bis(fluoranyl)phenyl]-~{N},~{N},4-trimethyl-2-oxidanylidene-5,6-dihydro-1~{H}-pyrimidine-5-carboxamide, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ...
Authors:Bayliss, R, McIntyre, P.J.
Deposit date:2019-03-22
Release date:2019-05-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Construction of a Shape-Diverse Fragment Set: Design, Synthesis and Screen against Aurora-A Kinase.
Chemistry, 25, 2019
6SSA
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Human Leukocyte Antigen Class I A02 Carrying LLWNGPMQV
Descriptor: 1,2-ETHANEDIOL, Beta-2-microglobulin, CALCIUM ION, ...
Authors:Rizkallah, P.J, Bovay, A.
Deposit date:2019-09-06
Release date:2020-07-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Identification of a superagonist variant of the immunodominant Yellow fever virus epitope NS4b214-222by combinatorial peptide library screening.
Mol.Immunol., 125, 2020
6STU
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BU of 6stu by Molmil
Adenovirus 30 Fiber Knob protein
Descriptor: 1,2-ETHANEDIOL, Fiber, GLUTAMIC ACID
Authors:Baker, A.T, Mundy, R.M, Rizkallah, P.J, Parker, A.L.
Deposit date:2019-09-11
Release date:2020-09-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Broad sialic acid usage amongst species D human adenovirus
npj Viruses, 1, 2023
6R0E
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BU of 6r0e by Molmil
Structure of F11TCR in complex with DR1 MHC Class II presenting PKYVKQNTLKLAT
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, F11-TCR Alpha Chain, ...
Authors:Rizkallah, P.J, Greenshields-Watson, A.L.
Deposit date:2019-03-12
Release date:2020-07-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:CD4+T Cells Recognize Conserved Influenza A Epitopes through Shared Patterns of V-Gene Usage and Complementary Biochemical Features.
Cell Rep, 32, 2020
5DAE
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BU of 5dae by Molmil
Kazal type inhibitor from salivary glands of Aedes aegypti mosquito
Descriptor: AAEL006007-PA
Authors:Torquato, R.J.S, Pereira, P.J.B, Tanaka, A.S.
Deposit date:2015-08-19
Release date:2016-09-07
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:High-resolution structure of a Kazal-type serine protease inhibitor from the dengue vector Aedes aegypti.
Acta Crystallogr F Struct Biol Commun, 73, 2017
6QU6
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BU of 6qu6 by Molmil
Adenovirus Serotype 26 (Ad26) in complex with sialic acid, pH4.0
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Fiber, ...
Authors:Baker, A.T, Mundy, R.M, Parker, A.L, Rizkallah, P.J.
Deposit date:2019-02-26
Release date:2019-09-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.03 Å)
Cite:Human adenovirus type 26 uses sialic acid-bearing glycans as a primary cell entry receptor.
Sci Adv, 5, 2019
6SS9
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Human Leukocyte Antigen Class I A02 Carrying LLWNGPMHV
Descriptor: 1,2-ETHANEDIOL, Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, ...
Authors:Rizkallah, P.J, Bovay, A.
Deposit date:2019-09-06
Release date:2020-07-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Identification of a superagonist variant of the immunodominant Yellow fever virus epitope NS4b214-222by combinatorial peptide library screening.
Mol.Immunol., 125, 2020

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PDB entries from 2024-10-16

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