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6ADE
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BU of 6ade by Molmil
Crystal structure of phosphorylated mutant of glyceraldehyde 3-phosphate dehydrogenase from human placenta at 3.15A resolution
Descriptor: Glyceraldehyde-3-phosphate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Dilawari, R, Singh, P.K, Raje, M, Sharma, S, Singh, T.P.
Deposit date:2018-07-31
Release date:2018-08-22
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Crystal structure of phosphorylated mutant of glyceraldehyde 3-phosphate dehydrogenase from human placenta at 3.15A resolution
To Be Published
6LG4
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BU of 6lg4 by Molmil
crystal structure of the first bromodomain of human BRD4 in complex with compound BDF-1024
Descriptor: 7-chloranyl-5-nitro-quinolin-8-ol, Bromodomain-containing protein 4
Authors:Xu, H, Zuo, Y, Zhang, H.
Deposit date:2019-12-04
Release date:2020-12-09
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Lead-Opt: An efficient tool for structural optimization of lead compounds
To Be Published
6A3B
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BU of 6a3b by Molmil
MVM NES mutant Nm13 in complex with CRM1-Ran-RanBP1
Descriptor: 1,2-ETHANEDIOL, Exportin-1, GLYCEROL, ...
Authors:Sun, Q, Li, Y.
Deposit date:2018-06-15
Release date:2019-06-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Cancer Therapy with Nanoparticle-Medicated Intracellular Expression of Peptide CRM1-Inhibitor.
Int J Nanomedicine, 16, 2021
6LAE
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BU of 6lae by Molmil
Crystal structure of the DNA-binding domain of human XPA in complex with DNA
Descriptor: DNA (5'-D(P*GP*CP*AP*TP*CP*TP*CP*GP*CP*CP*T)-3'), DNA (5'-D(P*TP*GP*GP*CP*GP*AP*GP*AP*TP*GP*C)-3'), DNA repair protein complementing XP-A cells, ...
Authors:Lian, F.M, Yang, X, Jiang, Y.L, Yang, F, Li, C, Yang, W, Qian, C.
Deposit date:2019-11-12
Release date:2020-02-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:New structural insights into the recognition of undamaged splayed-arm DNA with a single pair of non-complementary nucleotides by human nucleotide excision repair protein XPA.
Int.J.Biol.Macromol., 148, 2020
6AC9
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BU of 6ac9 by Molmil
Crystal structure of human Vaccinia-related kinase 1 (VRK1) in complex with AMP-PNP
Descriptor: CHLORIDE ION, GLYCEROL, MAGNESIUM ION, ...
Authors:Ngow, Y.S, Sreekanth, R, Yoon, H.S.
Deposit date:2018-07-25
Release date:2018-12-26
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Crystal structure of human vaccinia-related kinase 1 in complex with AMP-PNP, a non-hydrolyzable ATP analog.
Protein Sci., 28, 2019
6LG9
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BU of 6lg9 by Molmil
crystal structure of the first bromodomain of human BRD4 in complex with compound BDF-2143
Descriptor: 2-azanyl-7-bromanyl-4-imidazol-1-yl-quinolin-8-ol, Bromodomain-containing protein 4
Authors:Xu, H, Zuo, Y.
Deposit date:2019-12-04
Release date:2020-12-09
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Lead-Opt: An efficient tool for structural optimization of lead compounds
To Be Published
6LG8
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BU of 6lg8 by Molmil
crystal structure of the first bromodomain of human BRD4 in complex with compound BDF-2138
Descriptor: 2-azanyl-5-fluoranyl-4-imidazol-1-yl-quinolin-8-ol, Bromodomain-containing protein 4
Authors:Xu, H, Zuo, Y, Zhang, H.
Deposit date:2019-12-04
Release date:2020-12-09
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Lead-Opt: An efficient tool for structural optimization of lead compounds
To Be Published
6L1E
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BU of 6l1e by Molmil
Crystal structure of middle domain of hSSRP1
Descriptor: FACT complex subunit SSRP1
Authors:Li, H.Y, Hu, T.T, Dou, Y.S, Su, D.
Deposit date:2019-09-29
Release date:2020-09-30
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.0939 Å)
Cite:Crystal structure of middle domain of hSSRP1
To Be Published
5EA2
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BU of 5ea2 by Molmil
Crystal Structure of Holo NAD(P)H dehydrogenase, quinone 1
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H dehydrogenase [quinone] 1
Authors:Pidugu, L.S, Mbimba, J.E, Ahmad, M, Pozharski, E, Sausville, E.A, Emadi, A, Toth, E.A.
Deposit date:2015-10-15
Release date:2016-02-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:A direct interaction between NQO1 and a chemotherapeutic dimeric naphthoquinone.
Bmc Struct.Biol., 16, 2016
5EAI
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BU of 5eai by Molmil
Crystal Structure of NAD(P)H dehydrogenase, quinone 1 complexed with a chemotherapeutic naphthoquinone E6a
Descriptor: (2~{R},3~{R})-2-[(2~{S},3~{S})-3-bromanyl-1,4-bis(oxidanylidene)-2,3-dihydronaphthalen-2-yl]-3-oxidanyl-2,3-dihydronaphthalene-1,4-dione, FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H dehydrogenase [quinone] 1
Authors:Pidugu, L.S, Mbimba, J.E, Ahmad, M, Pozharski, E, Sausville, E.A, Emadi, A, Toth, E.A.
Deposit date:2015-10-16
Release date:2016-02-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:A direct interaction between NQO1 and a chemotherapeutic dimeric naphthoquinone.
Bmc Struct.Biol., 16, 2016
5E0T
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BU of 5e0t by Molmil
Human PCNA mutant - S228I
Descriptor: Proliferating cell nuclear antigen
Authors:Duffy, C.M, Hilbert, B.J, Kelch, B.A.
Deposit date:2015-09-29
Release date:2016-04-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.6653 Å)
Cite:A Disease-Causing Variant in PCNA Disrupts a Promiscuous Protein Binding Site.
J.Mol.Biol., 428, 2016
5DT3
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BU of 5dt3 by Molmil
Aurora A Kinase in Complex with ATP in Space Group P6122
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Aurora kinase A, MAGNESIUM ION, ...
Authors:Janecek, M, Rossmann, M, Sharma, P, Emery, A, McKenzie, G.J, Huggins, D.J, Stockwell, S, Stokes, J.A, Almeida, E.G, Hardwick, B, Narvaez, A.J, Hyvonen, M, Spring, D.R, Venkitaraman, A.R.
Deposit date:2015-09-17
Release date:2016-07-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Allosteric modulation of AURKA kinase activity by a small-molecule inhibitor of its protein-protein interaction with TPX2.
Sci Rep, 6, 2016
5E0R
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BU of 5e0r by Molmil
Crystal Structure of the first bromodomain of BRD4 in complex with AYC
Descriptor: 2-[(chloroacetyl)amino]-5-[(E)-(4-sulfophenyl)diazenyl]benzenesulfonic acid, Bromodomain-containing protein 4, DIMETHYL SULFOXIDE
Authors:Dong, J, Caflisch, A.
Deposit date:2015-09-29
Release date:2016-10-12
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.352 Å)
Cite:Crystal Structure of the first bromodomain of BRD4 in complex with AYC
To Be Published
5DOS
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BU of 5dos by Molmil
Aurora A Kinase in Complex with AA35 and ATP in Space Group P6122
Descriptor: 2-(3-bromophenyl)-8-fluoroquinoline-4-carboxylic acid, ADENOSINE-5'-TRIPHOSPHATE, Aurora kinase A, ...
Authors:Janecek, M, Rossmann, M, Sharma, P, Emery, A, McKenzie, G.J, Huggins, D.J, Stockwell, S, Stokes, J.A, Almeida, E.G, Hardwick, B, Narvaez, A.J, Hyvonen, M, Spring, D.R, Venkitaraman, A.R.
Deposit date:2015-09-11
Release date:2016-07-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.98 Å)
Cite:Allosteric modulation of AURKA kinase activity by a small-molecule inhibitor of its protein-protein interaction with TPX2.
Sci Rep, 6, 2016
5EAL
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BU of 5eal by Molmil
Crystal structure of human WDR5 in complex with compound 9h
Descriptor: 1,2-ETHANEDIOL, 3-methyl-~{N}-[2-(4-methylpiperazin-1-yl)-5-quinolin-3-yl-phenyl]benzamide, CHLORIDE ION, ...
Authors:DONG, A, DOMBROVSKI, L, SMIL, D, GETLIK, M, BOLSHAN, Y, WALKER, J.R, SENISTERRA, G, PODA, G, AL-AWAR, R, SCHAPIRA, M, VEDADI, M, Bountra, C, Edwards, A.M, Arrowsmith, C.H, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC)
Deposit date:2015-10-16
Release date:2015-11-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of human WDR5 in complex with compound 9h
to be published
5DRD
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BU of 5drd by Molmil
Aurora A Kinase in Complex with ATP in Space Group P6122
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Aurora kinase A, MAGNESIUM ION
Authors:Janecek, M, Rossmann, M, Sharma, P, Emery, A, McKenzie, G.J, Huggins, D.J, Stockwell, S, Stokes, J.A, Almeida, E.G, Hardwick, B, Narvaez, A.J, Hyvonen, M, Spring, D.R, Venkitaraman, A.R.
Deposit date:2015-09-15
Release date:2016-07-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Allosteric modulation of AURKA kinase activity by a small-molecule inhibitor of its protein-protein interaction with TPX2.
Sci Rep, 6, 2016
8PQN
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BU of 8pqn by Molmil
NQO1 bound to RBS-10
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H dehydrogenase [quinone] 1, ~{N}-[4-[(3-methylphenyl)carbonylamino]phenyl]-5-nitro-furan-2-carboxamide
Authors:Pous, J, Jose-Duran, F, Mayor-Ruiz, C, Riera, A.
Deposit date:2023-07-11
Release date:2024-01-10
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:Discovery and Mechanistic Elucidation of NQO1-Bioactivatable Small Molecules That Overcome Resistance to Degraders.
Angew.Chem.Int.Ed.Engl., 63, 2024
8PMP
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BU of 8pmp by Molmil
Structure of the human nuclear cap-binding complex bound to ARS2[147-871] and m7GTP
Descriptor: 7N-METHYL-8-HYDROGUANOSINE-5'-TRIPHOSPHATE, Nuclear cap-binding protein subunit 1, Nuclear cap-binding protein subunit 2, ...
Authors:Dubiez, E, Pellegrini, E, Foucher, A.E, Cusack, S, Kadlec, J.
Deposit date:2023-06-29
Release date:2024-01-17
Method:ELECTRON MICROSCOPY (3.43 Å)
Cite:Structural basis for competitive binding of productive and degradative co-transcriptional effectors to the nuclear cap-binding complex.
Cell Rep, 43, 2024
8QVW
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BU of 8qvw by Molmil
Cryo-EM structure of the peptide binding domain of human SRP68/72
Descriptor: Signal recognition particle subunit SRP68, Signal recognition particle subunit SRP72
Authors:Zhong, Y, Feng, J, Koh, A.F, Kotecha, A, Greber, B.J, Ataide, S.F.
Deposit date:2023-10-18
Release date:2024-02-07
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structure of nPBD of human SRP68/72
To Be Published
8Q34
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BU of 8q34 by Molmil
Crystal structure of the first bromodomain of human BRD4 in complex with the ligand ZZ001229a
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(1~{H}-imidazo[4,5-b]pyridin-2-ylmethyl)-3-(3-methyl-1,2-diazirin-3-yl)propanamide
Authors:MacLean, E.M, Gao, Q, Williams, E, Balcomb, B.H, von Delft, F, Bajusz, D, Keeley, A, Abranyi-Balogh, P, Koekemoer, L, Keseru, G.M.
Deposit date:2023-08-03
Release date:2024-02-07
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Mapping protein binding sites by photoreactive fragment pharmacophores
Res Sq, 2023
8Q5H
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BU of 8q5h by Molmil
Human KMN network (outer kinetochore)
Descriptor: Kinetochore protein Spc24, Kinetochore protein Spc25, Kinetochore scaffold 1, ...
Authors:Raisch, T, Polley, S, Vetter, I, Musacchio, A, Raunser, S.
Deposit date:2023-08-09
Release date:2024-02-14
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:Insights into human outer kinetochore assembly and force transmission from a structure-function analysis of the KMN network
To Be Published
8Q1S
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BU of 8q1s by Molmil
Pathogenic mutations of human phosphorylation sites affect protein-protein interactions
Descriptor: 1,2-ETHANEDIOL, 14-3-3 protein epsilon, BROMIDE ION, ...
Authors:Roske, Y, Daumke, O, Rrustemi, T, Selbach, M.
Deposit date:2023-08-01
Release date:2024-02-21
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (3.23 Å)
Cite:Pathogenic mutations of human phosphorylation sites affect protein-protein interactions.
Nat Commun, 15, 2024
5EGU
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BU of 5egu by Molmil
FIRST DOMAIN OF HUMAN BROMODOMAIN BRD4 IN COMPLEX WITH INHIBITOR 3-Butyl-8-(6-butyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanylmethyl)-7-ethyl-3,7-dihydropurine-2,6-dione
Descriptor: 1,2-ETHANEDIOL, 3-butyl-8-[(6-butyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-7-ethyl-purine-2,6-dione, Bromodomain-containing protein 4
Authors:Raux, B, Rebuffet, E, Betzi, S, Priet, S, Morelli, X.
Deposit date:2015-10-27
Release date:2016-01-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Exploring Selective Inhibition of the First Bromodomain of the Human Bromodomain and Extra-terminal Domain (BET) Proteins.
J.Med.Chem., 59, 2016
8Q91
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BU of 8q91 by Molmil
Structure of the human 20S U5 snRNP core
Descriptor: 116 kDa U5 small nuclear ribonucleoprotein component, CD2 antigen cytoplasmic tail-binding protein 2, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Schneider, S, Galej, W.P.
Deposit date:2023-08-19
Release date:2024-03-27
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structure of the human 20S U5 snRNP.
Nat.Struct.Mol.Biol., 31, 2024
8PXX
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BU of 8pxx by Molmil
Structure of the WW domain tandem of PRPF40A in complex with SF1
Descriptor: Pre-mRNA-processing factor 40 homolog A, Splicing factor 1
Authors:Martinez-Lumbreras, S, Sattler, M.
Deposit date:2023-07-24
Release date:2024-04-03
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Intramolecular autoinhibition regulates the selectivity of PRPF40A tandem WW domains for proline-rich motifs.
Nat Commun, 15, 2024

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PDB entries from 2024-07-17

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