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2N3W
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BU of 2n3w by Molmil
Solution structure of the Rpn1 T1 site with K48-linked diubiquitin in the contracted binding mode
Descriptor: 26S proteasome regulatory subunit RPN1, Ubiquitin-60S ribosomal protein L40
Authors:Chen, X, Walters, K.J.
Deposit date:2015-06-10
Release date:2016-02-24
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Rpn1 provides adjacent receptor sites for substrate binding and deubiquitination by the proteasome.
Science, 351, 2016
2Y00
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BU of 2y00 by Molmil
TURKEY BETA1 ADRENERGIC RECEPTOR WITH STABILISING MUTATIONS AND BOUND PARTIAL AGONIST DOBUTAMINE (CRYSTAL DOB92)
Descriptor: BETA-1 ADRENERGIC RECEPTOR, CHOLESTEROL HEMISUCCINATE, DOBUTAMINE, ...
Authors:Warne, A, Moukhametzianov, R, Baker, J.G, Nehme, R, Edwards, P.C, Leslie, A.G.W, Schertler, G.F.X, Tate, C.G.
Deposit date:2010-11-30
Release date:2011-01-12
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The Structural Basis for Agonist and Partial Agonist Action on a Beta1-Adrenergic Receptor
Nature, 469, 2011
7QYR
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BU of 7qyr by Molmil
Crystal structure of RimK from Pseudomonas aeruginosa PAO1
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Probable alpha-L-glutamate ligase, poly-glutamate
Authors:Thompson, C.M.A, Little, R.H, Stevenson, C.E.M, Lawson, D.M, Malone, J.G.
Deposit date:2022-01-29
Release date:2022-10-05
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural insights into the mechanism of adaptive ribosomal modification by Pseudomonas RimK.
Proteins, 91, 2023
7JQ0
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BU of 7jq0 by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI3
Descriptor: 3C-like proteinase, N-[(benzyloxy)carbonyl]-L-valyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
Authors:Yang, K, Liu, W.
Deposit date:2020-08-10
Release date:2020-12-23
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:A Quick Route to Multiple Highly Potent SARS-CoV-2 Main Protease Inhibitors*.
Chemmedchem, 16, 2021
8PJ8
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BU of 8pj8 by Molmil
FKBP51FK1 F67E/K60Orn (i, i+7) in complex with SAFit1
Descriptor: 2-[3-[(1~{R})-1-[(2~{S})-1-[(2~{S})-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidin-2-yl]carbonyloxy-3-(3,4-dimethoxyphenyl)propyl]phenoxy]ethanoic acid, Peptidyl-prolyl cis-trans isomerase FKBP5
Authors:Meyners, C, Charalampidou, A, Hausch, F.
Deposit date:2023-06-23
Release date:2024-03-06
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Automated Flow Peptide Synthesis Enables Engineering of Proteins with Stabilized Transient Binding Pockets.
Acs Cent.Sci., 10, 2024
2N4F
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BU of 2n4f by Molmil
EC-NMR Structure of Arabidopsis thaliana At2g32350 Determined by Combining Evolutionary Couplings (EC) and Sparse NMR Data. Northeast Structural Genomics Consortium target AR3433A
Descriptor: uncharacterized protein AR3433A
Authors:Tang, Y, Huang, Y.J, Hopf, T.A, Sander, C, Marks, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2015-06-17
Release date:2015-07-01
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Protein structure determination by combining sparse NMR data with evolutionary couplings.
Nat.Methods, 12, 2015
8PYR
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BU of 8pyr by Molmil
Crystal structure of the dual T-loop phosphorylated Cdk7/CycH/Mat1 complex
Descriptor: 1,2-ETHANEDIOL, CDK-activating kinase assembly factor MAT1, Cyclin-H, ...
Authors:Anand, K, Duster, R, Geyer, M.
Deposit date:2023-07-26
Release date:2024-03-06
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural basis of Cdk7 activation by dual T-loop phosphorylation.
Biorxiv, 2024
2ILA
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BU of 2ila by Molmil
STRUCTURE OF INTERLEUKIN 1ALPHA AT 2.7-ANGSTROMS RESOLUTION
Descriptor: INTERLEUKIN-1 ALPHA
Authors:Graves, B.J, Hatada, M.H.
Deposit date:1991-05-01
Release date:1992-10-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of interleukin 1 alpha at 2.7-A resolution.
Biochemistry, 29, 1990
7AXW
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BU of 7axw by Molmil
Crystal structure of the cAMP-dependent protein kinase A cocrystallized with 1-aminoisoquinoline and PKI (5-24)
Descriptor: ISOQUINOLIN-1-AMINE, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha
Authors:Oebbeke, M, Wienen-Schmidt, B, Heine, A, Klebe, G.
Deposit date:2020-11-10
Release date:2021-11-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Fragment based drug design - Small chemical changes of fragments effecting big changes in binding
To Be Published
7TM9
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BU of 7tm9 by Molmil
Crystal structure of Bacterial alkaline phosphatase from Klebsiella pneumoniae
Descriptor: Bacterial alkaline phosphatase, MAGNESIUM ION, ZINC ION
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2022-01-19
Release date:2022-02-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure of Bacterial alkaline phosphatase from Klebsiella pneumoniae
To be published
7QYS
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BU of 7qys by Molmil
Crystal structure of RimK from Pseudomonas syringae DC3000
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Probable alpha-L-glutamate ligase
Authors:Thompson, C.M.A, Little, R.H, Stevenson, C.E.M, Lawson, D.M, Malone, J.G.
Deposit date:2022-01-29
Release date:2022-10-05
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural insights into the mechanism of adaptive ribosomal modification by Pseudomonas RimK.
Proteins, 91, 2023
2XVW
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BU of 2xvw by Molmil
Human serum albumin complexed with dansyl-L-arginine and myristic acid
Descriptor: DANSYL-L-ARGININE, MYRISTIC ACID, SERUM ALBUMIN
Authors:Ghuman, J, Curry, S.
Deposit date:2010-10-28
Release date:2010-11-10
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structural Basis of Binding of Fluorescent, Site-Specific Dansylated Amino Acids to Human Serum Albumin.
J.Struct.Biol., 174, 2011
7QHL
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BU of 7qhl by Molmil
Crystal structure of Cyclin-dependent kinase 2/cyclin A in complex with 3,5,7-Substituted pyrazolo[4,3-d]pyrimidine inhibitor 24
Descriptor: 1,2-ETHANEDIOL, 5-(2-amino-1-ethyl)thio-3-cyclobutyl-7-[4-(pyrazol-1-yl)benzyl]amino-1(2)H-pyrazolo[4,3-d]pyrimidine, Cyclin-A2, ...
Authors:Djukic, S, Skerlova, J, Rezacova, P.
Deposit date:2021-12-13
Release date:2022-07-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:3,5,7-Substituted Pyrazolo[4,3- d ]Pyrimidine Inhibitors of Cyclin-Dependent Kinases and Cyclin K Degraders.
J.Med.Chem., 65, 2022
7ARC
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BU of 7arc by Molmil
Cryo-EM structure of Polytomella Complex-I (peripheral arm)
Descriptor: 13 kDa, 18 kDa, 24 kDa, ...
Authors:Klusch, N, Kuehlbrandt, W, Yildiz, O.
Deposit date:2020-10-23
Release date:2021-12-08
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (2.88 Å)
Cite:A ferredoxin bridge connects the two arms of plant mitochondrial complex I.
Plant Cell, 33, 2021
2N2X
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BU of 2n2x by Molmil
Solution structure of [GlyB24,B27-B29 triazole cross-linked]-insulin analogue at pH 1.9
Descriptor: Insulin A chain, Insulin B chain
Authors:Veverka, V, Hexnerova, R, Jiracek, J.
Deposit date:2015-05-15
Release date:2016-02-03
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Rational steering of insulin binding specificity by intra-chain chemical crosslinking.
Sci Rep, 6, 2016
7JN0
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BU of 7jn0 by Molmil
Sheep Connexin-46 at 2.5 angstroms resolution, Lipid Class 2
Descriptor: 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, Gap junction alpha-3 protein
Authors:Flores, J.A, Haddad, B.G, Dolan, K.A, Myers, J.A, Yoshioka, C.C, Copperman, J, Zuckerman, D.M, Reichow, S.L.
Deposit date:2020-08-03
Release date:2020-09-09
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Connexin-46/50 in a dynamic lipid environment resolved by CryoEM at 1.9 angstrom.
Nat Commun, 11, 2020
7JPU
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BU of 7jpu by Molmil
Structure of an endocytic receptor
Descriptor: Lymphocyte antigen 75
Authors:Gully, B.S, Rossjohn, J, Berry, R.
Deposit date:2020-08-09
Release date:2020-12-09
Last modified:2021-07-14
Method:ELECTRON MICROSCOPY (5 Å)
Cite:The cryo-EM structure of the endocytic receptor DEC-205.
J.Biol.Chem., 296, 2020
2N52
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BU of 2n52 by Molmil
The solution structure of the kallikrein inhibitor SPINK6
Descriptor: Serine protease inhibitor Kazal-type 6
Authors:Grotzinger, J.
Deposit date:2015-07-06
Release date:2016-03-16
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:The solution structure of the kallikrein-related peptidases inhibitor SPINK6.
Biochem.Biophys.Res.Commun., 471, 2016
7ARD
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BU of 7ard by Molmil
Cryo-EM structure of Polytomella Complex-I (complete composition)
Descriptor: (7S)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, 13 kDa, 15 kDa, ...
Authors:Klusch, N, Kuehlbrandt, W, Yildiz, O.
Deposit date:2020-10-23
Release date:2021-12-08
Method:ELECTRON MICROSCOPY (3.11 Å)
Cite:A ferredoxin bridge connects the two arms of plant mitochondrial complex I.
Plant Cell, 33, 2021
7JTS
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BU of 7jts by Molmil
Stalk of radial spoke 1 attached with doublet microtubule from Chlamydomonas reinhardtii
Descriptor: Calmodulin, Dynein 8 kDa light chain, flagellar outer arm, ...
Authors:Gui, M, Ma, M, Sze-Tu, E, Wang, X, Koh, F, Zhong, E, Berger, B, Davis, J, Dutcher, S, Zhang, R, Brown, A.
Deposit date:2020-08-18
Release date:2020-12-16
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (6.1 Å)
Cite:Structures of radial spokes and associated complexes important for ciliary motility.
Nat.Struct.Mol.Biol., 28, 2021
7QLP
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BU of 7qlp by Molmil
Structure of beta-lactamase TEM-171 complexed with tazobactam intermediate at 2.3 A resolution
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, ...
Authors:Hakanpaa, J, Petrova, T, Samygina, V.R, Lamzin, V.S, Egorov, A.M.
Deposit date:2021-12-20
Release date:2022-07-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structures of the molecular class A beta-lactamase TEM-171 and its complexes with tazobactam.
Acta Crystallogr D Struct Biol, 78, 2022
2XXW
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BU of 2xxw by Molmil
Crystal structure of the GluK2 (GluR6) D776K LBD dimer in complex with glutamate
Descriptor: CHLORIDE ION, GLUTAMATE RECEPTOR, IONOTROPIC KAINATE 2, ...
Authors:Nayeem, N, Mayans, O, Green, T.
Deposit date:2010-11-12
Release date:2011-02-09
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Conformational Flexibility of the Ligand-Binding Domain Dimer in Kainate Receptor Gating and Desensitization
J.Neurosci., 31, 2011
7JVB
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BU of 7jvb by Molmil
Crystal structure of the SARS-CoV-2 spike receptor-binding domain (RBD) with nanobody Nb20
Descriptor: CACODYLATE ION, Nanobody Nb20, Spike protein S1
Authors:Xiang, Y, Xiao, Z, Liu, H, Sang, Z, Schneidman-Duhovny, D, Zhang, C, Shi, Y.
Deposit date:2020-08-20
Release date:2020-12-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.287 Å)
Cite:Versatile and multivalent nanobodies efficiently neutralize SARS-CoV-2.
Science, 370, 2020
8PJA
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BU of 8pja by Molmil
FKBP51FK1 F67E/K58 (i, i+9) in complex with SAFit1
Descriptor: 2-[3-[(1~{R})-1-[(2~{S})-1-[(2~{S})-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidin-2-yl]carbonyloxy-3-(3,4-dimethoxyphenyl)propyl]phenoxy]ethanoic acid, Peptidyl-prolyl cis-trans isomerase FKBP5
Authors:Meyners, C, Charalampidou, A, Hausch, F.
Deposit date:2023-06-23
Release date:2024-03-06
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Automated Flow Peptide Synthesis Enables Engineering of Proteins with Stabilized Transient Binding Pockets.
Acs Cent.Sci., 10, 2024
7JVO
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BU of 7jvo by Molmil
Importin alpha bound to the C-terminus of ACE2
Descriptor: ARG-LYS-LYS-LYS-ASN-LYS-ALA, Importin subunit alpha-1
Authors:Forwood, J.K, Cross, E.M, Tsimbalyuk, S.
Deposit date:2020-08-22
Release date:2020-10-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Targeting novel LSD1-dependent ACE2 demethylation domains inhibits SARS-CoV-2 replication.
Cell Discov, 7, 2021

224004

数据于2024-08-21公开中

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