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8DSI
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BU of 8dsi by Molmil
Human NAMPT in complex with substrate NAM
Descriptor: CHLORIDE ION, GLYCEROL, NICOTINAMIDE, ...
Authors:Ratia, K, Xiong, R, Shen, Z, Thatcher, G.R.
Deposit date:2022-07-22
Release date:2023-03-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Mechanism of Allosteric Modulation of Nicotinamide Phosphoribosyltransferase to Elevate Cellular NAD.
Biochemistry, 62, 2023
8DTJ
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BU of 8dtj by Molmil
Human NAMPT in complex with small molecule activator ZN-43-S
Descriptor: (3S)-N-[(1-benzothiophen-5-yl)methyl]-1-{2-[4-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-yl}piperidine-3-carboxamide, CHLORIDE ION, GLYCEROL, ...
Authors:Ratia, K, Xiong, R, Shen, Z, Thatcher, G.R.
Deposit date:2022-07-25
Release date:2023-03-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.118 Å)
Cite:Mechanism of Allosteric Modulation of Nicotinamide Phosphoribosyltransferase to Elevate Cellular NAD.
Biochemistry, 62, 2023
8DSD
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BU of 8dsd by Molmil
Human NAMPT in complex with substrate NAM and small molecule activator NP-A1-S
Descriptor: (3S)-1-[2-(4-methylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}piperidine-3-carboxamide, CHLORIDE ION, GLYCEROL, ...
Authors:Ratia, K, Xiong, R, Shen, Z, Thatcher, G.R.
Deposit date:2022-07-22
Release date:2023-03-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.429 Å)
Cite:Mechanism of Allosteric Modulation of Nicotinamide Phosphoribosyltransferase to Elevate Cellular NAD.
Biochemistry, 62, 2023
8DSH
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BU of 8dsh by Molmil
Human NAMPT in complex with quercitrin and AMPcP
Descriptor: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-deoxy-alpha-L-mannopyranoside, Nicotinamide phosphoribosyltransferase, PHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER
Authors:Ratia, K, Xiong, R, Shen, Z, Thatcher, G.R.
Deposit date:2022-07-22
Release date:2023-03-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Mechanism of Allosteric Modulation of Nicotinamide Phosphoribosyltransferase to Elevate Cellular NAD.
Biochemistry, 62, 2023
8DSE
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BU of 8dse by Molmil
Human NAMPT in complex with substrate NAM and activator quercitrin
Descriptor: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-deoxy-alpha-L-mannopyranoside, CHLORIDE ION, NICOTINAMIDE, ...
Authors:Ratia, K, Xiong, R, Shen, Z, Thatcher, G.R.
Deposit date:2022-07-22
Release date:2023-03-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.428 Å)
Cite:Mechanism of Allosteric Modulation of Nicotinamide Phosphoribosyltransferase to Elevate Cellular NAD.
Biochemistry, 62, 2023
7M2G
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BU of 7m2g by Molmil
INTERLEUKIN-2 (human) mutant P65K, C125S
Descriptor: GLYCEROL, Interleukin-2, SULFATE ION
Authors:Ptacin, J.L, Milla, M.E, Steinbacher, S, Maskos, K, Thomsen, M.
Deposit date:2021-03-16
Release date:2021-08-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:An engineered IL-2 reprogrammed for anti-tumor therapy using a semi-synthetic organism.
Nat Commun, 12, 2021
6HPV
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BU of 6hpv by Molmil
Crystal structure of mouse fetuin-B
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, Fetuin-B
Authors:Fahrenkamp, D, Dietzel, E, de Sanctis, D, Jovine, L.
Deposit date:2018-09-22
Release date:2019-02-20
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of mammalian plasma fetuin-B and its mechanism of selective metallopeptidase inhibition.
Iucrj, 6, 2019
7CPV
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BU of 7cpv by Molmil
Cryo-EM structure of 80S ribosome from mouse testis
Descriptor: 40S ribosomal protein S10, 40S ribosomal protein S11, 40S ribosomal protein S13, ...
Authors:Huo, Y.G, He, X, Jiang, T, Qin, Y, Guo, X.J, Sha, J.H.
Deposit date:2020-08-08
Release date:2022-02-02
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.03 Å)
Cite:A male germ-cell-specific ribosome controls male fertility.
Nature, 612, 2022
7CPU
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BU of 7cpu by Molmil
Cryo-EM structure of 80S ribosome from mouse kidney
Descriptor: 40S ribosomal protein S10, 40S ribosomal protein S11, 40S ribosomal protein S13, ...
Authors:Huo, Y.G, He, X, Jiang, T, Qin, Y, Guo, X.J, Sha, J.H.
Deposit date:2020-08-08
Release date:2022-02-02
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (2.82 Å)
Cite:A male germ-cell-specific ribosome controls male fertility.
Nature, 612, 2022
7NWL
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BU of 7nwl by Molmil
Cryo-EM structure of human integrin alpha5beta1 (open form) in complex with fibronectin and TS2/16 Fv-clasp
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Integrin alpha-5, ...
Authors:Schumacher, S, Dedden, D, Vazquez Nunez, R, Matoba, K, Takagi, J, Biertumpfel, C, Mizuno, N.
Deposit date:2021-03-17
Release date:2021-06-02
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural insights into integrin alpha 5 beta 1 opening by fibronectin ligand.
Sci Adv, 7, 2021
8H37
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BU of 8h37 by Molmil
Cryo-EM Structure of the KBTBD2-CUL3-Rbx1-p85a tetrameric complex
Descriptor: Cullin-3, E3 ubiquitin-protein ligase RBX1, Kelch repeat and BTB domain-containing protein 2, ...
Authors:Hu, Y, Mao, Q, Chen, Z, Sun, L.
Deposit date:2022-10-08
Release date:2023-10-11
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (7.52 Å)
Cite:Dynamic molecular architecture and substrate recruitment of cullin3-RING E3 ligase CRL3 KBTBD2.
Nat.Struct.Mol.Biol., 31, 2024
8H36
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BU of 8h36 by Molmil
Cryo-EM Structure of the KBTBD2-CUL3-Rbx1-p85a dimeric complex
Descriptor: Cullin-3, E3 ubiquitin-protein ligase RBX1, Kelch repeat and BTB domain-containing protein 2, ...
Authors:Hu, Y, Mao, Q, Chen, Z, Sun, L.
Deposit date:2022-10-08
Release date:2023-10-11
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (4.6 Å)
Cite:Dynamic molecular architecture and substrate recruitment of cullin3-RING E3 ligase CRL3 KBTBD2.
Nat.Struct.Mol.Biol., 31, 2024
7NE8
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BU of 7ne8 by Molmil
Tick salivary protein BSAP1
Descriptor: tick salivary protein BSAP1
Authors:Denisov, S.S, Ippel, J.H, Castoldi, E, Hackeng, T.M, Dijkgraaf, I.
Deposit date:2021-02-03
Release date:2021-06-16
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Molecular basis of anticoagulant and anticomplement activity of the tick salivary protein Salp14 and its homologs.
J.Biol.Chem., 297, 2021
7NXD
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BU of 7nxd by Molmil
Cryo-EM structure of human integrin alpha5beta1 in the half-bent conformation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Schumacher, S, Dedden, D, Vazquez Nunez, R, Matoba, K, Takagi, J, Biertumpfel, C, Mizuno, N.
Deposit date:2021-03-18
Release date:2021-08-25
Method:ELECTRON MICROSCOPY (4.6 Å)
Cite:Structural insights into integrin alpha 5 beta 1 opening by fibronectin ligand.
Sci Adv, 7, 2021
7U0T
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BU of 7u0t by Molmil
Crystal Structure of a human Calcineurin A - Calcineurin B fusion bound to FKBP12 and FK-520
Descriptor: (3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,22R,26aS)-8-ethyl-5,19-dihydroxy-3-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl}-14,16-dimethoxy-4,10,12,18-tetramethyl-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-3H-15,19-epoxypyrido[2,1-c][1,4]oxazacyclotricosine-1,7,20,21(4H,23H)-tetrone, 1,2-ETHANEDIOL, CALCIUM ION, ...
Authors:Fox III, D, Mayclin, S.J, DeBouver, N.D, Hoy, M.J, Heitman, J, Lorimer, D.D, Horanyi, P.S, Edwards, T.E, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2022-02-18
Release date:2022-08-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structure-Guided Synthesis of FK506 and FK520 Analogs with Increased Selectivity Exhibit In Vivo Therapeutic Efficacy against Cryptococcus.
Mbio, 13, 2022
2B1V
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BU of 2b1v by Molmil
Human estrogen receptor alpha ligand-binding domain in complex with OBCP-1M and a glucocorticoid receptor interacting protein 1 NR box II peptide
Descriptor: 4-[(1S,2S,5S)-5-(HYDROXYMETHYL)-8-METHYL-3-OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL, Estrogen receptor, Nuclear receptor coactivator 2
Authors:Rajan, S.S, Hsieh, R.W, Sharma, S.K, Greene, G.L.
Deposit date:2005-09-16
Release date:2006-05-09
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Identification of ligands with bicyclic scaffolds provides insights into mechanisms of estrogen receptor subtype selectivity.
J.Biol.Chem., 281, 2006
2FAI
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BU of 2fai by Molmil
Human Estrogen Receptor Alpha Ligand-Binding Domain In Complex With OBCP-2M and A Glucocorticoid Receptor Interacting Protein 1 NR Box II Peptide
Descriptor: 4-[(1S,2S,5S,9R)-5-(HYDROXYMETHYL)-8,9-DIMETHYL-3-OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL, Estrogen receptor, Nuclear receptor coactivator 2
Authors:Rajan, S.S, Hsieh, R.W, Sharma, S.K, Greene, G.L.
Deposit date:2005-12-07
Release date:2006-05-09
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Identification of ligands with bicyclic scaffolds provides insights into mechanisms of estrogen receptor subtype selectivity.
J.Biol.Chem., 281, 2006
7AJJ
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BU of 7ajj by Molmil
bovine ATP synthase dimer state3:state3
Descriptor: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ATP synthase F(0) complex subunit B1, mitochondrial, ...
Authors:Spikes, T.E, Montgomery, M.G, Walker, J.E.
Deposit date:2020-09-29
Release date:2021-02-03
Last modified:2021-02-24
Method:ELECTRON MICROSCOPY (13.1 Å)
Cite:Interface mobility between monomers in dimeric bovine ATP synthase participates in the ultrastructure of inner mitochondrial membranes.
Proc.Natl.Acad.Sci.USA, 118, 2021
7AJH
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BU of 7ajh by Molmil
bovine ATP synthase dimer state3:state1
Descriptor: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ATP synthase F(0) complex subunit B1, mitochondrial, ...
Authors:Spikes, T.E, Montgomery, M.G, Walker, J.E.
Deposit date:2020-09-29
Release date:2021-02-03
Last modified:2021-02-24
Method:ELECTRON MICROSCOPY (9.7 Å)
Cite:Interface mobility between monomers in dimeric bovine ATP synthase participates in the ultrastructure of inner mitochondrial membranes.
Proc.Natl.Acad.Sci.USA, 118, 2021
7AJD
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BU of 7ajd by Molmil
bovine ATP synthase dimer state1:state3
Descriptor: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ATP synthase F(0) complex subunit B1, mitochondrial, ...
Authors:Spikes, T.E, Montgomery, M.G, Walker, J.E.
Deposit date:2020-09-29
Release date:2021-02-03
Last modified:2021-02-24
Method:ELECTRON MICROSCOPY (9 Å)
Cite:Interface mobility between monomers in dimeric bovine ATP synthase participates in the ultrastructure of inner mitochondrial membranes.
Proc.Natl.Acad.Sci.USA, 118, 2021
7AJC
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BU of 7ajc by Molmil
bovine ATP synthase dimer state1:state2
Descriptor: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ATP synthase F(0) complex subunit B1, mitochondrial, ...
Authors:Spikes, T.E, Montgomery, M.G, Walker, J.E.
Deposit date:2020-09-29
Release date:2021-02-03
Last modified:2021-02-24
Method:ELECTRON MICROSCOPY (11.9 Å)
Cite:Interface mobility between monomers in dimeric bovine ATP synthase participates in the ultrastructure of inner mitochondrial membranes.
Proc.Natl.Acad.Sci.USA, 118, 2021
7AJB
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BU of 7ajb by Molmil
bovine ATP synthase dimer state1:state1
Descriptor: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ATP synthase F(0) complex subunit B1, mitochondrial, ...
Authors:Spikes, T.E, Montgomery, M.G, Walker, J.E.
Deposit date:2020-09-29
Release date:2021-02-03
Last modified:2021-02-24
Method:ELECTRON MICROSCOPY (9.2 Å)
Cite:Interface mobility between monomers in dimeric bovine ATP synthase participates in the ultrastructure of inner mitochondrial membranes.
Proc.Natl.Acad.Sci.USA, 118, 2021
7AJI
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BU of 7aji by Molmil
bovine ATP synthase dimer state3:state2
Descriptor: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ATP synthase F(0) complex subunit B1, mitochondrial, ...
Authors:Spikes, T.E, Montgomery, M.G, Walker, J.E.
Deposit date:2020-09-29
Release date:2021-02-03
Last modified:2021-02-24
Method:ELECTRON MICROSCOPY (11.4 Å)
Cite:Interface mobility between monomers in dimeric bovine ATP synthase participates in the ultrastructure of inner mitochondrial membranes.
Proc.Natl.Acad.Sci.USA, 118, 2021
7AO9
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BU of 7ao9 by Molmil
Structure of the core MTA1/HDAC1/MBD2 NURD deacetylase complex
Descriptor: Histone deacetylase 1, INOSITOL HEXAKISPHOSPHATE, Metastasis-associated protein MTA1, ...
Authors:Millard, C.J, Fairall, L, Ragan, T.J, Savva, C.G, Schwabe, J.W.R.
Deposit date:2020-10-14
Release date:2020-11-11
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (6.1 Å)
Cite:The topology of chromatin-binding domains in the NuRD deacetylase complex.
Nucleic Acids Res., 48, 2020
7AJE
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BU of 7aje by Molmil
bovine ATP synthase dimer state2:state1
Descriptor: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ATP synthase F(0) complex subunit B1, mitochondrial, ...
Authors:Spikes, T.E, Montgomery, M.G, Walker, J.E.
Deposit date:2020-09-29
Release date:2021-02-03
Last modified:2021-02-24
Method:ELECTRON MICROSCOPY (9.4 Å)
Cite:Interface mobility between monomers in dimeric bovine ATP synthase participates in the ultrastructure of inner mitochondrial membranes.
Proc.Natl.Acad.Sci.USA, 118, 2021

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