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8SC1
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BU of 8sc1 by Molmil
Human OCT1 (Apo) in inward-open conformation
Descriptor: Solute carrier family 22 member 1
Authors:Zeng, Y.C, Sobti, M, Stewart, A.G.
Deposit date:2023-04-04
Release date:2023-10-18
Last modified:2023-10-25
Method:ELECTRON MICROSCOPY (2.92 Å)
Cite:Structural basis of promiscuous substrate transport by Organic Cation Transporter 1.
Nat Commun, 14, 2023
8SEB
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BU of 8seb by Molmil
Cryo-EM structure of a single loaded human UBA7-UBE2L6-ISG15 adenylate complex
Descriptor: ADENOSINE MONOPHOSPHATE, Ubiquitin-like modifier-activating enzyme 7, Ubiquitin-like protein ISG15, ...
Authors:Afsar, M, Jia, L, Ruben, E.A, Olsen, S.K.
Deposit date:2023-04-08
Release date:2023-10-11
Method:ELECTRON MICROSCOPY (3.24 Å)
Cite:Cryo-EM structures of Uba7 reveal the molecular basis for ISG15 activation and E1-E2 thioester transfer.
Nat Commun, 14, 2023
8YSA
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BU of 8ysa by Molmil
The co-crystal structure of SARS-CoV-2 Mpro in complex with compound H102
Descriptor: 3C-like proteinase nsp5, BOC-TBG-PHE-ELL
Authors:Zheng, W.Y, Fu, L.F, Feng, Y, Han, P, Qi, J.X.
Deposit date:2024-03-22
Release date:2024-05-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Discovery, Biological Activity, and Structural Mechanism of a Potent Inhibitor of SARS-CoV-2 Main Protease
To Be Published
8SC2
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BU of 8sc2 by Molmil
Human OCT1 bound to diltiazem in inward-open conformation
Descriptor: Diltiazem, Solute carrier family 22 member 1
Authors:Zeng, Y.C, Sobti, M, Stewart, A.G.
Deposit date:2023-04-04
Release date:2023-10-18
Last modified:2023-10-25
Method:ELECTRON MICROSCOPY (3.36 Å)
Cite:Structural basis of promiscuous substrate transport by Organic Cation Transporter 1.
Nat Commun, 14, 2023
8SG5
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BU of 8sg5 by Molmil
Cytochrome P450 (CYP) 3A5 crystallized with clotrimazole
Descriptor: 1-[(2-CHLOROPHENYL)(DIPHENYL)METHYL]-1H-IMIDAZOLE, Cytochrome P450 3A5, DODECYL NONA ETHYLENE GLYCOL ETHER, ...
Authors:Hsu, M.H, Johnson, E.F.
Deposit date:2023-04-11
Release date:2023-10-11
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Differential Effects of Clotrimazole on X-Ray Crystal Structures of Human Cytochromes P450 3A5 and 3A4.
Drug Metab.Dispos., 51, 2023
8SC6
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BU of 8sc6 by Molmil
Human OCT1 bound to thiamine in inward-open conformation
Descriptor: 3-(4-AMINO-2-METHYL-PYRIMIDIN-5-YLMETHYL)-5-(2-HYDROXY-ETHYL)-4-METHYL-THIAZOL-3-IUM, Solute carrier family 22 member 1
Authors:Zeng, Y.C, Sobti, M, Stewart, A.G.
Deposit date:2023-04-04
Release date:2023-10-18
Last modified:2023-10-25
Method:ELECTRON MICROSCOPY (3.13 Å)
Cite:Structural basis of promiscuous substrate transport by Organic Cation Transporter 1.
Nat Commun, 14, 2023
8SDY
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BU of 8sdy by Molmil
Structure of rat organic anion transporter 1 (OAT1) in complex with para-aminohippuric acid (PAH)
Descriptor: N-(4-aminobenzoyl)glycine, Solute carrier family 22 member 6
Authors:Dou, T, Jiang, J.
Deposit date:2023-04-07
Release date:2023-10-18
Last modified:2023-11-22
Method:ELECTRON MICROSCOPY (2.79 Å)
Cite:The substrate and inhibitor binding mechanism of polyspecific transporter OAT1 revealed by high-resolution cryo-EM.
Nat.Struct.Mol.Biol., 30, 2023
8SAP
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BU of 8sap by Molmil
Crystal structure of class III lanthipeptide synthetase ThurKC
Descriptor: Class III lanthionine synthetase LanKC
Authors:Hernandez Garcia, A, Nair, S.K.
Deposit date:2023-04-01
Release date:2023-10-11
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Structure and Function of a Class III Metal-Independent Lanthipeptide Synthetase.
Acs Cent.Sci., 9, 2023
9FGS
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BU of 9fgs by Molmil
SARS-CoV-2 (wuhan variant) Spike protein in complex with the single chain fragment scFv41N (focused refinement)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Single Chain fragment scFv41N, Spike glycoprotein,Fibritin
Authors:Berlinguer, M, Chaves-Sanjuan, A, Milazzo, F.M, Minenkova, O, De Santis, R, Bolognesi, M.
Deposit date:2024-05-25
Release date:2024-06-12
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Structure of scFv41N in complex with SARS-CoV-2 Spike protein
To Be Published
8SIL
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BU of 8sil by Molmil
Lysozyme crystallized in cyclic olefin copolymer-based microfluidic chips
Descriptor: Lysozyme C
Authors:Liu, Z, Gu, K, Shelby, M.L, Gilbile, D, Lyubimov, A.Y, Russi, S, Cohen, A.E, Coleman, M.A, Frank, M, Kuhl, T.L, Botha, S, Poitevin, F, Sierra, R.G.
Deposit date:2023-04-16
Release date:2023-10-18
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A user-friendly plug-and-play cyclic olefin copolymer-based microfluidic chip for room-temperature, fixed-target serial crystallography.
Acta Crystallogr D Struct Biol, 79, 2023
5W86
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BU of 5w86 by Molmil
CRYSTAL STRUCTURE OF JAK3 KINASE DOMAIN WITH A 4,6-DIAMINONICOTINAMIDE INHIBITOR (COMPOUND NUMBER 7)
Descriptor: 4-(benzylamino)-6-({4-[(1-methylpiperidin-4-yl)carbamoyl]phenyl}amino)pyridine-3-carboxamide, Tyrosine-protein kinase JAK3
Authors:Sack, J.S.
Deposit date:2017-06-21
Release date:2017-10-11
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Discovery and structure-based design of 4,6-diaminonicotinamides as potent and selective IRAK4 inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
8SSC
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BU of 8ssc by Molmil
Full-Length Methionine synthase from Thermus thermophilus HB8
Descriptor: Methionine synthase, POTASSIUM ION, SULFATE ION
Authors:Yamada, K, Mendoza, J, Koutmos, M.
Deposit date:2023-05-08
Release date:2023-10-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structure of full-length cobalamin-dependent methionine synthase and cofactor loading captured in crystallo.
Nat Commun, 14, 2023
8SSG
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BU of 8ssg by Molmil
Minimal protein-only/RNA-free Ribonuclease P from Hydrogenobacter thermophilus
Descriptor: RNA-free ribonuclease P
Authors:Mendoza, J, Wilhelm, C.A, Mallik, L, Koutmos, M.
Deposit date:2023-05-08
Release date:2023-10-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Bacterial RNA-free RNase P: Structural and functional characterization of multiple oligomeric forms of a minimal protein-only ribonuclease P.
J.Biol.Chem., 299, 2023
8SWQ
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BU of 8swq by Molmil
Structure of K. lactis PNP bound to transition state analog DADMe-IMMUCILLIN H and sulfate
Descriptor: 7-[[(3R,4R)-3-(hydroxymethyl)-4-oxidanyl-pyrrolidin-1-ium-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one, GLYCEROL, Purine nucleoside phosphorylase, ...
Authors:Fedorov, E, Ghosh, A.
Deposit date:2023-05-19
Release date:2023-10-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.979 Å)
Cite:Phosphate Binding in PNP Alters Transition-State Analogue Affinity and Subunit Cooperativity.
Biochemistry, 62, 2023
8SWU
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BU of 8swu by Molmil
Structure of Clostridium perfringens PNP bound to transition state analog IMMUCILLIN H and sulfate
Descriptor: 1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-9-YL)-D-RIBITOL, Purine nucleoside phosphorylase, SULFATE ION
Authors:Fedorov, E, Ghosh, A.
Deposit date:2023-05-19
Release date:2023-10-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Phosphate Binding in PNP Alters Transition-State Analogue Affinity and Subunit Cooperativity.
Biochemistry, 62, 2023
6X5S
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BU of 6x5s by Molmil
Human Alpha-1,6-fucosyltransferase (FUT8) bound to GDP and A3'-Asn
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)]alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, A3'-Asn, Alpha-(1,6)-fucosyltransferase, ...
Authors:Kadirvelraj, R, Wood, Z.A.
Deposit date:2020-05-26
Release date:2020-10-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Characterizing human alpha-1,6-fucosyltransferase (FUT8) substrate specificity and structural similarities with related fucosyltransferases.
J.Biol.Chem., 295, 2020
8SV8
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BU of 8sv8 by Molmil
Cryo-EM structure of a double loaded human UBA7-UBE2L6-ISG15 thioester mimetic complex from a composite map
Descriptor: ADENOSINE MONOPHOSPHATE, Ubiquitin-like modifier-activating enzyme 7, Ubiquitin-like protein ISG15, ...
Authors:Afsar, M, Jia, L, Ruben, E.A, Olsen, S.K.
Deposit date:2023-05-15
Release date:2023-10-11
Method:ELECTRON MICROSCOPY (3.38 Å)
Cite:Cryo-EM structures of Uba7 reveal the molecular basis for ISG15 activation and E1-E2 thioester transfer.
Nat Commun, 14, 2023
8SCY
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BU of 8scy by Molmil
Lysozyme crystallized in cyclic olefin copolymer-based microfluidic chips
Descriptor: Lysozyme C
Authors:Liu, Z, Gu, K, Shelby, M.L, Gilbile, D, Lyubimov, A.Y, Russi, S, Cohen, A.E, Coleman, M.A, Frank, M, Kuhl, T.L.
Deposit date:2023-04-05
Release date:2023-10-25
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:A user-friendly plug-and-play cyclic olefin copolymer-based microfluidic chip for room-temperature, fixed-target serial crystallography.
Acta Crystallogr D Struct Biol, 79, 2023
6WEV
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BU of 6wev by Molmil
Crystal structures of human E-NPP 1: bound to N-{[1-(6,7-dimethoxy-5,8-dihydroquinazolin-4-yl)piperidin-4-yl]methyl}sulfuric diamide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Peat, T.S, Dennis, M, Newman, J.
Deposit date:2020-04-03
Release date:2020-09-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structures of human ENPP1 in apo and bound forms.
Acta Crystallogr D Struct Biol, 76, 2020
8XB3
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BU of 8xb3 by Molmil
Structural mechanism of substrate binding and inhibition of the human Norepinephrine Transporter
Descriptor: 1-[(3-iodanylphenyl)methyl]guanidine, 2-acetamido-2-deoxy-beta-D-glucopyranose, GFP-MBP-solute carrier family 6 member 2
Authors:Ji, W.M, Wu, J.X.
Deposit date:2023-12-05
Release date:2024-06-26
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structural mechanism of substrate binding and inhibition of the human Norepinephrine Transporter
To Be Published
8SE9
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BU of 8se9 by Molmil
Cryo-EM structure of a double loaded human UBA7-UBE2L6-ISG15 thioester mimetic complex (Form 2)
Descriptor: ADENOSINE MONOPHOSPHATE, Ubiquitin-like modifier-activating enzyme 7, Ubiquitin-like protein ISG15, ...
Authors:Afsar, M, Jia, L, Ruben, E.A, Olsen, S.K.
Deposit date:2023-04-08
Release date:2023-10-11
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Cryo-EM structures of Uba7 reveal the molecular basis for ISG15 activation and E1-E2 thioester transfer.
Nat Commun, 14, 2023
8SEA
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BU of 8sea by Molmil
Cryo-EM structure of a double loaded human UBA7-UBE2L6-ISG15 thioester mimetic complex (Form 1)
Descriptor: ADENOSINE MONOPHOSPHATE, Ubiquitin-like modifier-activating enzyme 7, Ubiquitin-like protein ISG15, ...
Authors:Afsar, M, Jia, L, Ruben, E.A, Olsen, S.K.
Deposit date:2023-04-08
Release date:2023-10-11
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Cryo-EM structures of Uba7 reveal the molecular basis for ISG15 activation and E1-E2 thioester transfer.
Nat Commun, 14, 2023
8XBF
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BU of 8xbf by Molmil
Cryo-EM structure of SARS-CoV-2 S-BQ.1 in complex with antibody O5C2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, O5C2, heavy chain, ...
Authors:Hsu, H.F, Wu, M.H, Chang, Y.C, Hsu, S.T.D.
Deposit date:2023-12-06
Release date:2024-06-19
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Functional and structural investigation of a broadly neutralizing SARS-CoV-2 antibody.
JCI Insight, 9, 2024
8SWT
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BU of 8swt by Molmil
Structure of Bacteroides fragilis PNP bound to transition state analog IMMUCILLIN H and sulfate
Descriptor: 1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-9-YL)-D-RIBITOL, Purine nucleoside phosphorylase, SULFATE ION
Authors:Fedorov, E, Ghosh, A.
Deposit date:2023-05-19
Release date:2023-10-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Phosphate Binding in PNP Alters Transition-State Analogue Affinity and Subunit Cooperativity.
Biochemistry, 62, 2023
8T0J
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BU of 8t0j by Molmil
Salmonella Typhimurium ArnD
Descriptor: Probable 4-deoxy-4-formamido-L-arabinose-phosphoundecaprenol deformylase ArnD
Authors:Sousa, M.C, Munoz-Escudero, D, Lee, M.
Deposit date:2023-06-01
Release date:2023-10-18
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Structure and Function of ArnD. A Deformylase Essential for Lipid A Modification with 4-Amino-4-deoxy-l-arabinose and Polymyxin Resistance.
Biochemistry, 62, 2023

223790

數據於2024-08-14公開中

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