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6WVB
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BU of 6wvb by Molmil
Takifugu rubripes VKOR-like with warfarin
Descriptor: S-WARFARIN, Vitamin K epoxide reductase-like protein, termini restrained by green fluorescent protein
Authors:Liu, S, Sukumar, N, Li, W.
Deposit date:2020-05-05
Release date:2020-11-11
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.872 Å)
Cite:Structural basis of antagonizing the vitamin K catalytic cycle for anticoagulation.
Science, 371, 2021
6WTH
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BU of 6wth by Molmil
Full-length human ENaC ECD
Descriptor: 10D4 Fab, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Posert, R, Baconguis, I, Noreng, S, Bharadwaj, A, Houser, A.
Deposit date:2020-05-02
Release date:2020-08-12
Method:ELECTRON MICROSCOPY (3.06 Å)
Cite:Molecular principles of assembly, activation, and inhibition in epithelial sodium channel.
Elife, 9, 2020
6WUI
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BU of 6wui by Molmil
Crystal Structure of mutant S. pombe Rai1 (E150S/E199Q/E239Q) in complex with 3'-FADP
Descriptor: Decapping nuclease din1, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name)
Authors:Doamekpor, S.K, Tong, L.
Deposit date:2020-05-04
Release date:2020-05-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:DXO/Rai1 enzymes remove 5'-end FAD and dephospho-CoA caps on RNAs.
Nucleic Acids Res., 48, 2020
6WV7
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BU of 6wv7 by Molmil
Human VKOR with Chlorophacinone
Descriptor: Chlorophacinone, Vitamin K epoxide reductase, termini restrained by green fluorescent protein
Authors:Liu, S, Sukumar, N, Li, W.
Deposit date:2020-05-05
Release date:2020-11-11
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.483 Å)
Cite:Structural basis of antagonizing the vitamin K catalytic cycle for anticoagulation.
Science, 371, 2021
6W2B
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BU of 6w2b by Molmil
Anomalous bromine signal reveals the position of Br-paroxetine complexed with the serotonin transporter at the central site
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 8B6 heavy chain antibody fragment, 8B6 light chain antibody fragment, ...
Authors:Coleman, J.A, Navratna, V, Yang, D.
Deposit date:2020-03-05
Release date:2020-03-25
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (4.7 Å)
Cite:Chemical and structural investigation of the paroxetine-human serotonin transporter complex.
Elife, 9, 2020
3FIB
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BU of 3fib by Molmil
RECOMBINANT HUMAN GAMMA-FIBRINOGEN CARBOXYL TERMINAL FRAGMENT (RESIDUES 143-411) BOUND TO CALCIUM AT PH 6.0: A FURTHER REFINEMENT OF PDB ENTRY 1FIB, AND DIFFERS FROM 1FIB BY THE MODELLING OF A CIS PEPTIDE BOND BETWEEN RESIDUES K338 AND C339
Descriptor: CALCIUM ION, FIBRINOGEN GAMMA CHAIN RESIDUES
Authors:Pratt, K.P, Cote, H.C.F, Chung, D.W, Stenkamp, R.E, Davie, E.W.
Deposit date:1997-07-14
Release date:1997-09-17
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The primary fibrin polymerization pocket: three-dimensional structure of a 30-kDa C-terminal gamma chain fragment complexed with the peptide Gly-Pro-Arg-Pro.
Proc.Natl.Acad.Sci.USA, 94, 1997
6W2Y
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BU of 6w2y by Molmil
CryoEM Structure of GABAB1b Homodimer
Descriptor: (1S)-2-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(octadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Papasergi-Scott, M.M, Robertson, M.J, Skiniotis, G.
Deposit date:2020-03-08
Release date:2020-07-01
Last modified:2020-08-26
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structures of metabotropic GABABreceptor.
Nature, 584, 2020
3FQI
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BU of 3fqi by Molmil
Crystal Structure of the Mouse Dom3Z
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, MAGNESIUM ION, Protein Dom3Z
Authors:Xiang, S, Tong, L.
Deposit date:2009-01-07
Release date:2009-02-03
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.013 Å)
Cite:Structure and function of the 5'-->3' exoribonuclease Rat1 and its activating partner Rai1.
Nature, 458, 2009
6W4T
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BU of 6w4t by Molmil
APE1 Y269A phosphorothioate substrate complex with abasic DNA
Descriptor: DNA (5'-D(*GP*GP*AP*TP*CP*CP*GP*TP*CP*GP*GP*AP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(P*GP*CP*TP*GP*AP*TP*GP*CP*GP*TP*(48Z)P*CP*GP*AP*CP*GP*GP*AP*TP*CP*C)-3'), DNA-(apurinic or apyrimidinic site) lyase
Authors:Freudenthal, B.D, Hoitsma, N.M.
Deposit date:2020-03-11
Release date:2020-06-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.77 Å)
Cite:AP-endonuclease 1 sculpts DNA through an anchoring tyrosine residue on the DNA intercalating loop.
Nucleic Acids Res., 48, 2020
3FTY
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BU of 3fty by Molmil
Leukotriene A4 hydrolase in complex with fragment 3-(benzyloxy)pyridin-2-amine
Descriptor: 3-(BENZYLOXY)PYRIDIN-2-AMINE, ACETATE ION, IMIDAZOLE, ...
Authors:Davies, D.R.
Deposit date:2009-01-13
Release date:2009-07-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Discovery of leukotriene A4 hydrolase inhibitors using metabolomics biased fragment crystallography.
J.Med.Chem., 52, 2009
6VJL
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BU of 6vjl by Molmil
Streptavidin mutant M112 (G26C/A46C)
Descriptor: BIOTIN, Streptavidin
Authors:Marangoni, J.M, Wu, S.C, Fogen, D, Wong, S.L, Ng, K.K.S.
Deposit date:2020-01-16
Release date:2020-12-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Engineering a disulfide-gated switch in streptavidin enables reversible binding without sacrificing binding affinity.
Sci Rep, 10, 2020
3FUF
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BU of 3fuf by Molmil
Leukotriene A4 hydrolase in complex with fragment 5-fluoroindole and bestatin
Descriptor: 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-4-METHYL-PENTANOIC ACID, 5-fluoro-1H-indole, IMIDAZOLE, ...
Authors:Davies, D.R.
Deposit date:2009-01-14
Release date:2009-07-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Discovery of leukotriene A4 hydrolase inhibitors using metabolomics biased fragment crystallography.
J.Med.Chem., 52, 2009
3FWN
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BU of 3fwn by Molmil
Dimeric 6-phosphogluconate dehydrogenase complexed with 6-phosphogluconate and 2'-monophosphoadenosine-5'-diphosphate
Descriptor: 2'-MONOPHOSPHOADENOSINE-5'-DIPHOSPHATE, 6-PHOSPHOGLUCONIC ACID, 6-phosphogluconate dehydrogenase, ...
Authors:Chen, Y.-Y, Ko, T.-P, Lo, L.-P, Lin, C.-H, Wang, A.H.-J.
Deposit date:2009-01-19
Release date:2009-09-01
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Conformational changes associated with cofactor/substrate binding of 6-phosphogluconate dehydrogenase from Escherichia coli and Klebsiella pneumoniae: Implications for enzyme mechanism
J.Struct.Biol., 169, 2010
3FKG
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BU of 3fkg by Molmil
Crystal Structure Analysis of Fungal Versatile Peroxidase from Pleurotus eryngii
Descriptor: CACODYLATE ION, CALCIUM ION, FE (III) ION, ...
Authors:Piontek, K, Martinez, A.T, Choinowski, T, Plattner, D.A.
Deposit date:2008-12-16
Release date:2009-12-22
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Structural and Site-directed Mutagenesis Study of Versatile Peroxidase Oxidizing both Mn(II) and Aromatic Substrates
To be Published
6VTL
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BU of 6vtl by Molmil
Structure of an acid-sensing ion channel solubilized by styrene maleic acid and in a resting state at high pH
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Acid-sensing ion channel 1
Authors:Yoder, N, Gouaux, E.
Deposit date:2020-02-12
Release date:2020-03-11
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.65 Å)
Cite:The His-Gly motif of acid-sensing ion channels resides in a reentrant 'loop' implicated in gating and ion selectivity.
Elife, 9, 2020
6VRZ
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BU of 6vrz by Molmil
protein A
Descriptor: CHLORAMPHENICOL, Multidrug transporter MdfA, PRASEODYMIUM ION
Authors:Lu, M, Lu, M.M.
Deposit date:2020-02-10
Release date:2020-06-03
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure and mechanism of a redesigned multidrug transporter from the Major Facilitator Superfamily.
Sci Rep, 10, 2020
6VS5
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BU of 6vs5 by Molmil
Mycobacterium tuberculosis dihydrofolate reductase in complex with 5-methyl-1-phenyl-1H-pyrazole-4-carboxylic acid (fragment 1)
Descriptor: 5-methyl-1-phenyl-pyrazole-4-carboxylic acid, COBALT (II) ION, Dihydrofolate reductase, ...
Authors:Ribeiro, J.A, Tyrakis, P, Blundell, T, Dias, M.V.B.
Deposit date:2020-02-10
Release date:2020-07-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.758 Å)
Cite:Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis.
Acs Infect Dis., 6, 2020
6VVB
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BU of 6vvb by Molmil
Mycobacterium tuberculosis dihydrofolate reductase in complex with 6-methyl-5-(4-phenylthiazol-2-yl)-2- (trifluoromethyl)nicotinic acid (fragment 10)
Descriptor: 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, 6-methyl-5-(4-phenyl-1,3-thiazol-2-yl)-2-(trifluoromethyl)pyridine-3-carboxylic acid, Dihydrofolate reductase, ...
Authors:Tyrakis, P, Dias, M.V.B.
Deposit date:2020-02-17
Release date:2020-07-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis.
Acs Infect Dis., 6, 2020
6VWK
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BU of 6vwk by Molmil
E. coli ATP Synthase ADP Sub-state 3a Fo Focussed
Descriptor: ATP synthase subunit a, ATP synthase subunit b, ATP synthase subunit c
Authors:Stewart, A.G, Walshe, J.L, Sobti, M.
Deposit date:2020-02-20
Release date:2020-06-03
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Cryo-EM structures provide insight into how E. coli F1FoATP synthase accommodates symmetry mismatch.
Nat Commun, 11, 2020
6VYZ
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BU of 6vyz by Molmil
Escherichia coli transcription-translation complex C6 (TTC-C6) containing mRNA with a 21 nt long spacer, NusA, and fMet-tRNAs at E-site and P-site
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S1, ...
Authors:Molodtsov, V, Wang, C, Su, M, Ebright, R.H.
Deposit date:2020-02-27
Release date:2020-09-02
Last modified:2020-09-23
Method:ELECTRON MICROSCOPY (9.9 Å)
Cite:Structural basis of transcription-translation coupling.
Science, 369, 2020
6W0B
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BU of 6w0b by Molmil
Open-gate KcsA soaked in 2 mM BaCl2
Descriptor: BARIUM ION, Fab Heavy Chain, Fab Light Chain, ...
Authors:Rohaim, A, Gong, L, Li, J.
Deposit date:2020-02-29
Release date:2020-07-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.604 Å)
Cite:Open and Closed Structures of a Barium-Blocked Potassium Channel.
J.Mol.Biol., 432, 2020
6VYR
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BU of 6vyr by Molmil
Escherichia coli transcription-translation complex A1 (TTC-A1) containing an 18 nt long mRNA spacer, NusG, and fMet-tRNAs at E-site and P-site
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S1, ...
Authors:Molodtsov, V, Wang, C, Su, M, Ebright, R.H.
Deposit date:2020-02-27
Release date:2020-09-02
Last modified:2020-09-23
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structural basis of transcription-translation coupling.
Science, 369, 2020
6W0H
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BU of 6w0h by Molmil
Closed-gate KcsA soaked in 5mM KCl/5mM BaCl2
Descriptor: Fab Heavy Chain, Fab Light Chain, POTASSIUM ION, ...
Authors:Rohaim, A, Gong, L, Li, J.
Deposit date:2020-02-29
Release date:2020-07-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Open and Closed Structures of a Barium-Blocked Potassium Channel.
J.Mol.Biol., 432, 2020
3FH6
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BU of 3fh6 by Molmil
Crystal structure of the resting state maltose transporter from E. coli
Descriptor: Maltose transport system permease protein malF, Maltose transport system permease protein malG, Maltose/maltodextrin import ATP-binding protein malK
Authors:Khare, D, Oldham, M.L, Orelle, C, Davidson, A.L, Chen, J.
Deposit date:2008-12-08
Release date:2009-03-03
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (4.5 Å)
Cite:Alternating access in maltose transporter mediated by rigid-body rotations.
Mol.Cell, 33, 2009
6W1P
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BU of 6w1p by Molmil
RT XFEL structure of the one-flash state of Photosystem II (1F, S2-rich) at 2.26 Angstrom resolution
Descriptor: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
Authors:Ibrahim, M, Fransson, T, Chatterjee, R, Cheah, M.H, Hussein, R, Lassalle, L, Sutherlin, K.D, Young, I.D, Fuller, F.D, Gul, S, Kim, I.-S, Simon, P.S, de Lichtenberg, C, Chernev, P, Bogacz, I, Pham, C, Orville, A.M, Saichek, N, Northen, T.R, Batyuk, A, Carbajo, S, Alonso-Mori, R, Tono, K, Owada, S, Bhowmick, A, Bolotovski, R, Mendez, D, Moriarty, N.W, Holton, J.M, Dobbek, H, Brewster, A.S, Adams, P.D, Sauter, N.K, Bergmann, U, Zouni, A, Messinger, J, Kern, J, Yachandra, V.K, Yano, J.
Deposit date:2020-03-04
Release date:2020-05-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Untangling the sequence of events during the S2→ S3transition in photosystem II and implications for the water oxidation mechanism.
Proc.Natl.Acad.Sci.USA, 117, 2020

224572

数据于2024-09-04公开中

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