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7MFZ
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BU of 7mfz by Molmil
The Crystal Structure of Domain-Swapped Trimer Q108K:K40D:T53A:R58L:Q38F:Q4F Mutant of HCRBPII Bound with LizFluor3 Chromophore Showing Excited State Intermolecular Proton Transfer
Descriptor: 1-(4-{5-[(2E)-but-2-en-2-yl]thiophen-2-yl}phenyl)azetidine, ACETATE ION, GLYCEROL, ...
Authors:Ghanbarpour, A, Geiger, J.
Deposit date:2021-04-12
Release date:2022-01-12
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Design of Large Stokes Shift Fluorescent Proteins Based on Excited State Proton Transfer of an Engineered Photobase.
J.Am.Chem.Soc., 143, 2021
6ZR8
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BU of 6zr8 by Molmil
The crystal structure of 2-(4-Benzhydrylpiperazin-1-yl)-N-(4-sulfamoylphenyl)acetamide in complex with human carbonic anhydrase II
Descriptor: 2-[4-(diphenylmethyl)piperazin-1-yl]-~{N}-(4-sulfamoylphenyl)ethanamide, Carbonic anhydrase 2, ZINC ION
Authors:Di Fiore, A, De Simone, G, D'Ambrosio, K.
Deposit date:2020-07-11
Release date:2021-06-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:The crystal structures of 2-(4-benzhydrylpiperazin-1-yl)-N-(4-sulfamoylphenyl)acetamide in complex with human carbonic anhydrase II and VII provide insights into selective CA inhibitor development
New J.Chem., 45, 2021
8DNZ
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BU of 8dnz by Molmil
Cryo-EM structure of the human Sec61 complex inhibited by apratoxin F
Descriptor: Apratoxin F peptide inhibitor, Protein transport protein Sec61 subunit alpha isoform 1, Protein transport protein Sec61 subunit beta, ...
Authors:Park, E, Itskanov, S.
Deposit date:2022-07-12
Release date:2023-05-24
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (2.57 Å)
Cite:A common mechanism of Sec61 translocon inhibition by small molecules.
Nat.Chem.Biol., 19, 2023
6V4E
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BU of 6v4e by Molmil
Crystal Structure Analysis of Zebra Fish MDM
Descriptor: Protein Mdm4, Stapled peptide QSQQTF(0EH)NLWRLL(MK8)QN(NH2)
Authors:Seo, H.-S, Dhe-Paganon, S.
Deposit date:2019-11-27
Release date:2020-04-22
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Identification of a Structural Determinant for Selective Targeting of HDMX.
Structure, 28, 2020
6ME8
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BU of 6me8 by Molmil
XFEL crystal structure of human melatonin receptor MT2 (N86D) in complex with 2-phenylmelatonin
Descriptor: N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]acetamide, Soluble cytochrome b562,Melatonin receptor type 1B,Rubredoxin, ZINC ION
Authors:Johansson, L.C, Stauch, B, McCorvy, J, Han, G.W, Patel, N, Batyuk, A, Gati, C, Li, C, Grandner, J, Hao, S, Olsen, R.H.J, Tribo, A.R, Zaare, S, Zhu, L, Zatsepin, N.A, Weierstall, U, Liu, W, Roth, B.L, Katritch, V, Cherezov, V.
Deposit date:2018-09-05
Release date:2019-04-24
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:XFEL structures of the human MT2melatonin receptor reveal the basis of subtype selectivity.
Nature, 569, 2019
7MQY
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BU of 7mqy by Molmil
Zebrafish CNTN4 APLP2 complex
Descriptor: Fusion protein of CNTN4 and APLP2
Authors:Bouyain, S, Karuppan, S.J.
Deposit date:2021-05-07
Release date:2022-01-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Members of the vertebrate contactin and amyloid precursor protein families interact through a conserved interface.
J.Biol.Chem., 298, 2021
6V5C
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BU of 6v5c by Molmil
Human Drosha and DGCR8 in complex with Primary MicroRNA (MP/RNA complex) - partially docked state
Descriptor: Microprocessor complex subunit DGCR8, Pri-miR-16-2 (66-MER), Ribonuclease 3
Authors:Partin, A, Zhang, K, Jeong, B, Herrell, E, Li, S, Chiu, W, Nam, Y.
Deposit date:2019-12-04
Release date:2020-04-08
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Cryo-EM Structures of Human Drosha and DGCR8 in Complex with Primary MicroRNA.
Mol.Cell, 78, 2020
7MRQ
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BU of 7mrq by Molmil
Chicken CNTN4 FN1-FN3 domains with T751A, V752A, Y781A, E786A mutations
Descriptor: Contactin-4
Authors:Bouyain, S, Karuppan, S.J.
Deposit date:2021-05-08
Release date:2022-01-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Members of the vertebrate contactin and amyloid precursor protein families interact through a conserved interface.
J.Biol.Chem., 298, 2021
6UQJ
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BU of 6uqj by Molmil
Crystal structure of the GH39 enzyme from Xanthomonas axonopodis pv. citri
Descriptor: Beta-xylosidase
Authors:Morais, M.A.B, Polo, C.C, Santos, C.R, Murakami, M.T.
Deposit date:2019-10-20
Release date:2020-07-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.707 Å)
Cite:Exploring the Molecular Basis for Substrate Affinity and Structural Stability in Bacterial GH39 beta-Xylosidases.
Front Bioeng Biotechnol, 8, 2020
6P1P
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BU of 6p1p by Molmil
Pre-catalytic ternary complex of human DNA Polymerase Mu with 1-nt gapped substrate containing template 8OG and bound incoming dCMPNPP
Descriptor: 1,2-ETHANEDIOL, 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Kaminski, A.M, Pedersen, L.C, Bebenek, K, Chiruvella, K.K, Ramsden, D.A, Kunkel, T.A.
Deposit date:2019-05-20
Release date:2019-09-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Unexpected behavior of DNA polymerase Mu opposite template 8-oxo-7,8-dihydro-2'-guanosine.
Nucleic Acids Res., 47, 2019
8DOC
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BU of 8doc by Molmil
Crystal structure of RPE65 in complex with compound 16e and palmitate
Descriptor: (1R)-1-[3-(cyclohexylmethoxy)phenyl]-3-(methylamino)propan-1-ol, 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, FE (II) ION, ...
Authors:Bassetto, M, Kiser, P.D.
Deposit date:2022-07-12
Release date:2023-05-24
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Tuning the Metabolic Stability of Visual Cycle Modulators through Modification of an RPE65 Recognition Motif.
J.Med.Chem., 66, 2023
6MEI
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BU of 6mei by Molmil
Crystal structure of broadly neutralizing antibody HEPC3 in complex with Hepatitis C virus envelope glycoprotein E2 ectodomain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BROMIDE ION, ...
Authors:Flyak, A.I, Bjorkman, P.J.
Deposit date:2018-09-06
Release date:2018-11-21
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:HCV Broadly Neutralizing Antibodies Use a CDRH3 Disulfide Motif to Recognize an E2 Glycoprotein Site that Can Be Targeted for Vaccine Design.
Cell Host Microbe, 24, 2018
7MRO
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BU of 7mro by Molmil
Zebrafish CNTN4 FN1-FN3 domains
Descriptor: Contactin-4
Authors:Bouyain, S, Karuppan, S.J.
Deposit date:2021-05-07
Release date:2022-01-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Members of the vertebrate contactin and amyloid precursor protein families interact through a conserved interface.
J.Biol.Chem., 298, 2021
6P1V
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BU of 6p1v by Molmil
Pre-catalytic ternary complex of human DNA Polymerase Mu with 1-nt gapped substrate containing undamaged template dG and bound incoming dCMPNPP
Descriptor: 1,2-ETHANEDIOL, 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Kaminski, A.M, Pedersen, L.C, Bebenek, K, Chiruvella, K.K, Ramsden, D.A, Kunkel, T.A.
Deposit date:2019-05-20
Release date:2019-09-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Unexpected behavior of DNA polymerase Mu opposite template 8-oxo-7,8-dihydro-2'-guanosine.
Nucleic Acids Res., 47, 2019
8EA6
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BU of 8ea6 by Molmil
NKG2D complexed with inhibitor 3e
Descriptor: N-{(1S)-2-(dimethylamino)-2-oxo-1-[3-(trifluoromethyl)phenyl]ethyl}-4'-(trifluoromethyl)[1,1'-biphenyl]-2-carboxamide, NKG2-D type II integral membrane protein
Authors:Thompson, A.A, Grant, J.C, Karpowich, N.K, Sharma, S.
Deposit date:2022-08-28
Release date:2023-05-03
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Identification of small-molecule protein-protein interaction inhibitors for NKG2D.
Proc.Natl.Acad.Sci.USA, 120, 2023
7A9C
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BU of 7a9c by Molmil
Human serum albumin (HSA) crystallized in the presence of yttrium (III) chloride
Descriptor: Albumin, YTTRIUM (III) ION
Authors:Zocher, G, Stehle, T.
Deposit date:2020-09-01
Release date:2021-06-30
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Protein Crystallization in the Presence of a Metastable Liquid-Liquid Phase Separation
Cryst.Growth Des., 2020
6UQN
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BU of 6uqn by Molmil
Crystal structure of R173A variant of cytosolic fumarate hydratase from Leishmania major in a complex with fumarate and S-malate
Descriptor: (2S)-2-hydroxybutanedioic acid, FUMARIC ACID, Fumarate hydratase 2, ...
Authors:Feliciano, P.R, Drennan, C.L.
Deposit date:2019-10-21
Release date:2019-12-04
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.298 Å)
Cite:Structural and Biochemical Investigations of the [4Fe-4S] Cluster-Containing Fumarate Hydratase fromLeishmania major.
Biochemistry, 58, 2019
7MRS
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BU of 7mrs by Molmil
Zebrafish CNTN4 APPb complex
Descriptor: Amyloid-beta A4 protein, Contactin-4
Authors:Bouyain, S, Karuppan, S.J.
Deposit date:2021-05-09
Release date:2022-01-05
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.93 Å)
Cite:Members of the vertebrate contactin and amyloid precursor protein families interact through a conserved interface.
J.Biol.Chem., 298, 2021
6UQS
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BU of 6uqs by Molmil
Serendipitous Discovery of Aryl Boronic Acids as beta-Lactamase Inhibitors
Descriptor: 2-hydroxyethyl hydrogen phenylboronate, Beta-lactamase, CHLORIDE ION
Authors:Scapin, G.
Deposit date:2019-10-21
Release date:2019-10-30
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Serendipitous discovery of aryl boronic acids as beta-lactamase inhibitors.
Bioorg.Med.Chem.Lett., 30, 2020
8DNX
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BU of 8dnx by Molmil
Cryo-EM structure of the human Sec61 complex inhibited by cotransin
Descriptor: Cotransin analogue peptide inhibitor, Protein transport protein Sec61 subunit alpha isoform 1, Protein transport protein Sec61 subunit beta, ...
Authors:Park, E, Itskanov, S.
Deposit date:2022-07-12
Release date:2023-05-24
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (2.98 Å)
Cite:A common mechanism of Sec61 translocon inhibition by small molecules.
Nat.Chem.Biol., 19, 2023
6MFM
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BU of 6mfm by Molmil
Structure of thiamine-monophosphate kinase from Acinetobacter baumannii in complex with adenosine diphosphate (ADP) and thiamine diphosphate (TPP), orthorhombic crystal form
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, SODIUM ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2018-09-11
Release date:2018-09-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structures of thiamine monophosphate kinase from Acinetobacter baumannii in complex with substrates and products.
Sci Rep, 9, 2019
7AA9
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BU of 7aa9 by Molmil
Structure of SCOC pT13/pT15 LIR motif bound to GABARAPL1
Descriptor: Gamma-aminobutyric acid receptor-associated protein-like 1, pT13/PT15 SCOC LIR
Authors:Lee, R, Mouilleron, S, Wirth, M, Zhang, W, O Reilly, N, Dhira, J, Tooze, S.
Deposit date:2020-09-03
Release date:2021-06-16
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Phosphorylation of the LIR Domain of SCOC Modulates ATG8 Binding Affinity and Specificity.
J.Mol.Biol., 433, 2021
6P24
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BU of 6p24 by Molmil
Escherichia coli tRNA synthetase
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
Authors:Kahne, D, Baidin, V, Owens, T.W.
Deposit date:2019-05-20
Release date:2020-11-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Simple Secondary Amines Inhibit Growth of Gram-Negative Bacteria through Highly Selective Binding to Phenylalanyl-tRNA Synthetase.
J.Am.Chem.Soc., 143, 2021
6MEN
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BU of 6men by Molmil
Crystal structure of a Tylonycteris bat coronavirus HKU4 macrodomain in complex with adenosine diphosphate glucose (ADP-glucose)
Descriptor: ADENOSINE-5'-DIPHOSPHATE-GLUCOSE, Replicase polyprotein 1ab
Authors:Hammond, R.G, Schormann, N, McPherson, R.L, Leung, A.K.L, Deivanayagam, C.C.S, Johnson, M.A.
Deposit date:2018-09-06
Release date:2019-09-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:ADP-Ribose and Analogues bound to the DeMARylating Macrodomain from the Bat Coronavirus HKU4
Proc.Natl.Acad.Sci.USA, 2021
6V6G
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BU of 6v6g by Molmil
Crystal structure of CTX-M-14 E166A/P167S/D240G beta-lactamase
Descriptor: Beta-lactamase, DI(HYDROXYETHYL)ETHER, SODIUM ION
Authors:Brown, C.A, Hu, L, Sankaran, B, Prasad, B.V.V, Palzkill, T.G.
Deposit date:2019-12-05
Release date:2020-04-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Antagonism between substitutions in beta-lactamase explains a path not taken in the evolution of bacterial drug resistance.
J.Biol.Chem., 295, 2020

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數據於2024-10-30公開中

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