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8BLP
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BU of 8blp by Molmil
Human Urea Transporter UT-B/UT1 in Complex with Inhibitor UTBinh-14
Descriptor: 10-(4-ethylphenyl)sulfonyl-~{N}-(thiophen-2-ylmethyl)-5-thia-1,8,11,12-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),3,7,9,11-pentaen-7-amine, CHOLESTEROL HEMISUCCINATE, DODECYL-BETA-D-MALTOSIDE, ...
Authors:Chi, G, Dietz, L, Pike, A.C.W, Maclean, E.M, Mukhopadhyay, S.M.M, Bohstedt, T, Wang, D, Scacioc, A, McKinley, G, Arrowsmith, C.H, Edwards, A, Bountra, C, Fernandez-Cid, A, Burgess-Brown, N.A, Duerr, K.L.
Deposit date:2022-11-10
Release date:2023-10-04
Last modified:2023-10-11
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Structural characterization of human urea transporters UT-A and UT-B and their inhibition.
Sci Adv, 9, 2023
7PJQ
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BU of 7pjq by Molmil
Crystal structure of YTHDC1 with compound T96
Descriptor: DI(HYDROXYETHYL)ETHER, SULFATE ION, YTH domain-containing protein 1, ...
Authors:Bedi, R.K, Huang, D, Caflisch, A.
Deposit date:2021-08-24
Release date:2021-10-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Structure-based design of ligands of the m6A-RNA reader YTHDC1
Eur J Med Chem Rep, 5, 2022
7PEQ
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BU of 7peq by Molmil
Model of the outer rings of the human nuclear pore complex
Descriptor: Nuclear pore complex protein Nup107, Nuclear pore complex protein Nup133, Nuclear pore complex protein Nup160, ...
Authors:Schuller, A.P, Wojtynek, M, Mankus, D, Tatli, M, Kronenberg-Tenga, R, Regmi, S.G, Dasso, M, Weis, K, Medalia, O, Schwartz, T.U.
Deposit date:2021-08-11
Release date:2021-10-20
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (35 Å)
Cite:The cellular environment shapes the nuclear pore complex architecture.
Nature, 598, 2021
1YT4
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BU of 1yt4 by Molmil
Crystal structure of TEM-76 beta-lactamase at 1.4 Angstrom resolution
Descriptor: Beta-lactamase TEM
Authors:Thomas, V.L, Golemi-Kotra, D, Kim, C, Vakulenko, S.B, Mobashery, S, Shoichet, B.K.
Deposit date:2005-02-09
Release date:2005-07-12
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural Consequences of the Inhibitor-Resistant Ser130Gly Substitution in TEM beta-Lactamase.
Biochemistry, 44, 2005
7PJA
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BU of 7pja by Molmil
Crystal structure of YTHDC1 with compound PSI_DC1_002
Descriptor: 6-methyl-3H-pyridin-2-one, GLYCEROL, SULFATE ION, ...
Authors:Bedi, R.K, Huang, D, Caflisch, A.
Deposit date:2021-08-23
Release date:2021-10-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure-based design of ligands of the m6A-RNA reader YTHDC1
Eur J Med Chem Rep, 5, 2022
7PJ7
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BU of 7pj7 by Molmil
Crystal structure of YTHDC1 with compound DHU_DC1_222
Descriptor: N-methyl-3-(5-methylthiophen-2-yl)-1H-pyrazole-5-carboxamide, SULFATE ION, YTH domain-containing protein 1
Authors:Bedi, R.K, Huang, D, Caflisch, A.
Deposit date:2021-08-23
Release date:2021-10-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Structure-based design of ligands of the m6A-RNA reader YTHDC1
Eur J Med Chem Rep, 5, 2022
1SHW
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BU of 1shw by Molmil
EphB2 / EphrinA5 Complex Structure
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ephrin type-B receptor 2, Ephrin-A5, ...
Authors:Himanen, J.P, Chumley, M.J, Lackmann, M, Li, C, Barton, W.A, Jeffrey, P.D, Vearing, C, Geleick, D, Feldheim, D.A, Boyd, A.W.
Deposit date:2004-02-26
Release date:2004-05-18
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Repelling class discrimination: ephrin-A5 binds to and activates EphB2 receptor signaling
Nat.Neurosci., 7, 2004
6ZQT
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BU of 6zqt by Molmil
Crystal structure of the RLIP76 Ral binding domain mutant (E427H/Q433L/K440R) in complex with RalB-GMPPNP
Descriptor: GLYCEROL, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
Authors:Hurd, C, Brear, P, Revell, J, Ross, S, Mott, H, Owen, D.
Deposit date:2020-07-10
Release date:2020-11-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Affinity maturation of the RLIP76 Ral binding domain to inform the design of stapled peptides targeting the Ral GTPases.
J.Biol.Chem., 296, 2020
6ZQW
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BU of 6zqw by Molmil
Cryo-EM structure of immature Spondweni virus
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Genome polyprotein, prM
Authors:Renner, M, Dejnirattisai, W, Carrique, L, Serna Martin, I, Karia, D, Ilca, S.L, Ho, S.F, Kotecha, A, Keown, J.R, Mongkolsapaya, J, Screaton, G.R, Grimes, J.M.
Deposit date:2020-07-10
Release date:2021-01-20
Last modified:2021-08-04
Method:ELECTRON MICROSCOPY (7.8 Å)
Cite:Flavivirus maturation leads to the formation of an occupied lipid pocket in the surface glycoproteins.
Nat Commun, 12, 2021
3FWC
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BU of 3fwc by Molmil
Sac3:Sus1:Cdc31 complex
Descriptor: Cell division control protein 31, Nuclear mRNA export protein SAC3, Protein SUS1, ...
Authors:Stewart, M, Jani, D.
Deposit date:2009-01-17
Release date:2009-04-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Sus1, Cdc31, and the Sac3 CID region form a conserved interaction platform that promotes nuclear pore association and mRNA export.
Mol.Cell, 33, 2009
7Q4M
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BU of 7q4m by Molmil
Type II beta-amyloid 42 Filaments from Human Brain
Descriptor: Amyloid-beta precursor protein, UNKNOWN ATOM OR ION
Authors:Yang, Y, Arseni, D, Zhang, W, Huang, M, Lovestam, S.K.A, Schweighauser, M, Kotecha, A, Murzin, A.G, Peak-Chew, S.Y, Macdonald, J, Lavenir, I, Garringer, H.J, Gelpi, E, Newell, K.L, Kovacs, G.G, Vidal, R, Ghetti, B, Falcon, B, Scheres, S.H.W, Goedert, M.
Deposit date:2021-11-01
Release date:2021-11-24
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Cryo-EM structures of amyloid-beta 42 filaments from human brains.
Science, 375, 2022
8BEY
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BU of 8bey by Molmil
Structure of the Lysinibacillus sphaericus Tpp49Aa1 pesticidal protein at pH 7
Descriptor: Cry49Aa protein
Authors:Williamson, L.J, Rizkallah, P.J, Berry, C, Oberthur, D, Galchenkova, M, Yefanov, O, Bean, R.
Deposit date:2022-10-22
Release date:2023-11-01
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Structure of the Lysinibacillus sphaericus Tpp49Aa1 pesticidal protein elucidated from natural crystals using MHz-SFX.
Proc.Natl.Acad.Sci.USA, 120, 2023
7AAA
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BU of 7aaa by Molmil
Crystal structure of the catalytic domain of human PARP1 (apo)
Descriptor: 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, Poly [ADP-ribose] polymerase 1, ...
Authors:Schimpl, M, Ogden, T.E.H, Yang, J.-C, Underwood, E, Rawlins, P.B, Johannes, J.W, Easton, L.E, Embrey, K.J, Neuhaus, D.
Deposit date:2020-09-04
Release date:2021-01-13
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Dynamics of the HD regulatory subdomain of PARP-1; substrate access and allostery in PARP activation and inhibition.
Nucleic Acids Res., 49, 2021
7Q4B
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BU of 7q4b by Molmil
Type I beta-amyloid 42 Filaments from Human Brain
Descriptor: Amyloid-beta precursor protein, UNKNOWN ATOM OR ION
Authors:Yang, Y, Arseni, D, Zhang, W, Huang, M, Lovestam, S.K.A, Schweighauser, M, Kotecha, A, Murzin, A.G, Peak-Chew, S.Y, Macdonald, J, Lavenir, I, Garringer, H.J, Gelpi, E, Newell, K.L, Kovacs, G.G, Vidal, R, Ghetti, B, Falcon, B, Scheres, S.H.W, Goedert, M.
Deposit date:2021-10-30
Release date:2021-11-24
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Cryo-EM structures of amyloid-beta 42 filaments from human brains.
Science, 375, 2022
1H1W
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BU of 1h1w by Molmil
High resolution crystal structure of the human PDK1 catalytic domain
Descriptor: 3-PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE-1, ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, ...
Authors:Biondi, R.M, Komander, D, Thomas, C.C, Lizcano, J.M, Deak, M, Alessi, D.R, Van Aalten, D.M.F.
Deposit date:2002-07-23
Release date:2003-07-17
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:High Resolution Crystal Structure of the Human Pdk1 Catalytic Domain Defines the Regulatory Phosphopeptide Docking Site
Embo J., 21, 2003
7ACQ
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BU of 7acq by Molmil
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
1HHQ
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BU of 1hhq by Molmil
Role of active site resiude Lys16 in Nucleoside Diphosphate Kinase
Descriptor: NUCLEOSIDE DIPHOSPHATE KINASE, SULFATE ION
Authors:Schneider, B, Babolat, M, Xu, Y.W, Janin, J, Veron, M, Deville-Bonne, D.
Deposit date:2000-12-26
Release date:2001-05-31
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Mechanism of Phosphoryl Transfer by Nucleoside Diphosphate Kinase Ph-Dependence and Role of Active Site Lys16 and Tyr56 Residues
Eur.J.Biochem., 268, 2001
6ZMP
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BU of 6zmp by Molmil
Crystal structure of Chaetomium thermophilum Naa20 in complex with a bisubstrate analogue
Descriptor: CARBOXYMETHYL COENZYME *A, CMC-MET-ASP-GLU-LEU, N-terminal acetyltransferase-like protein
Authors:Layer, D, Kopp, J, Sinning, I.
Deposit date:2020-07-03
Release date:2020-12-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Structural basis of Naa20 activity towards a canonical NatB substrate.
Commun Biol, 4, 2021
7A4M
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BU of 7a4m by Molmil
Cryo-EM structure of mouse heavy-chain apoferritin at 1.22 A
Descriptor: FE (III) ION, Ferritin heavy chain, ZINC ION
Authors:Nakane, T, Kotecha, A, Sente, A, Yamashita, K, McMullan, G, Masiulis, S, Brown, P.M.G.E, Grigoras, I.T, Malinauskaite, L, Malinauskas, T, Miehling, J, Yu, L, Karia, D, Pechnikova, E.V, de Jong, E, Keizer, J, Bischoff, M, McCormack, J, Tiemeijer, P, Hardwick, S.W, Chirgadze, D.Y, Murshudov, G, Aricescu, A.R, Scheres, S.H.W.
Deposit date:2020-08-20
Release date:2020-10-28
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (1.22 Å)
Cite:Single-particle cryo-EM at atomic resolution.
Nature, 587, 2020
3T58
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BU of 3t58 by Molmil
C76A/C455S mutant of mouse QSOX1 containing an interdomain disulfide
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Sulfhydryl oxidase 1
Authors:Fass, D, Alon, A, Gat, Y.
Deposit date:2011-07-27
Release date:2012-05-30
Last modified:2012-08-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The dynamic disulphide relay of quiescin sulphydryl oxidase.
Nature, 488, 2012
1SQF
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BU of 1sqf by Molmil
The crystal structure of E. coli Fmu binary complex with S-Adenosylmethionine at 2.1 A resolution
Descriptor: S-ADENOSYLMETHIONINE, SUN protein
Authors:Foster, P.G, Nunes, C.R, Greene, P, Moustakas, D, Stroud, R.M.
Deposit date:2004-03-18
Release date:2004-05-18
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The First Structure of an RNA m5C Methyltransferase, Fmu, Provides Insight into Catalytic Mechanism and Specific Binding of RNA Substrate
Structure, 11, 2003
6ZML
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BU of 6zml by Molmil
CryoEM Structure of Merkel Cell Polyomavirus Virus-like Particle
Descriptor: Capsid protein VP1
Authors:Bayer, N.J, Januliene, D, Stehle, T, Moeller, A, Blaum, B.S.
Deposit date:2020-07-03
Release date:2020-08-05
Last modified:2020-10-07
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structure of Merkel Cell Polyomavirus Capsid and Interaction with Its Glycosaminoglycan Attachment Receptor.
J.Virol., 94, 2020
1SQK
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BU of 1sqk by Molmil
CRYSTAL STRUCTURE OF CIBOULOT IN COMPLEX WITH SKELETAL ACTIN
Descriptor: ACTIN, ALPHA SKELETAL MUSCLE, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Hertzog, M, Van Heijenoort, C, Didry, D, Gaudier, M, Gigant, B, Coutant, J, Didelot, G, Preat, T, Knossow, M, Guittet, E, Carlier, M.F.
Deposit date:2004-03-19
Release date:2004-06-15
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The beta-Thymosin/WH2 Domain; Structural Basis for the Switch from Inhibition to Promotion of Actin Assembly
Cell(Cambridge,Mass.), 117, 2004
1ZFE
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BU of 1zfe by Molmil
GCA Duplex B-DNA
Descriptor: 5'-D(*CP*CP*TP*GP*CP*GP*CP*AP*GP*G)-3'
Authors:Hays, F.A, Teegarden, A.T, Jones, Z.J.R, Harms, M, Raup, D, Watson, J, Cavaliere, E, Ho, P.S.
Deposit date:2005-04-20
Release date:2005-05-10
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:How sequence defines structure: a crystallographic map of DNA structure and conformation.
Proc.Natl.Acad.Sci.Usa, 102, 2005
1RYV
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BU of 1ryv by Molmil
Three dimensional solution structure of the K27A MUTANT of sodium channels inhibitor HAINANTOXIN-IV BY 2D 1H-NMR
Descriptor: Hainantoxin-IV
Authors:Li, D, Lu, S, Gu, X, Liang, S.
Deposit date:2003-12-22
Release date:2004-01-13
Last modified:2021-11-10
Method:SOLUTION NMR
Cite:Structure--activity relationships of hainantoxin-IV and structure determination of active and inactive sodium channel blockers
J.Biol.Chem., 279, 2004

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