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5WJU
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BU of 5wju by Molmil
Cryo-EM structure of B. subtilis flagellar filaments A39V, N133H
Descriptor: Flagellin
Authors:Wang, F, Burrage, A.M, Kearns, D.B, Egelman, E.H.
Deposit date:2017-07-24
Release date:2017-10-25
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:A structural model of flagellar filament switching across multiple bacterial species.
Nat Commun, 8, 2017
2JMN
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BU of 2jmn by Molmil
NMR structure of human insulin mutant His-B10-Asp, Pro-B28-Lys, Lys-B29-Pro, 20 structures
Descriptor: Insulin A chain, Insulin B chain
Authors:Hua, Q.X, Hu, S.Q, Frank, B.H, Jia, W.H, Chu, Y.C, Wang, S.H, Burke, G.T, Katsoyannis, P.G, Weiss, M.A.
Deposit date:2006-11-21
Release date:2006-12-05
Last modified:2024-10-30
Method:SOLUTION NMR
Cite:Mapping the functional surface of insulin by design: structure and function of a novel A-chain analogue.
J.Mol.Biol., 264, 1996
5WJY
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BU of 5wjy by Molmil
Cryo-EM structure of B. subtilis flagellar filaments S285P
Descriptor: Flagellin
Authors:Wang, F, Burrage, A.M, Kearns, D.B, Egelman, E.H.
Deposit date:2017-07-24
Release date:2017-10-25
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:A structural model of flagellar filament switching across multiple bacterial species.
Nat Commun, 8, 2017
2K2G
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BU of 2k2g by Molmil
Solution structure of the wild-type catalytic domain of human matrix metalloproteinase 12 (MMP-12) in complex with a tight-binding inhibitor
Descriptor: Macrophage metalloelastase, N-(dibenzo[b,d]thiophen-3-ylsulfonyl)-L-valine, ZINC ION
Authors:Markus, M.A, Dwyer, B, Wolfrom, S, Li, J, Li, W, Malakian, K, Wilhelm, J, Tsao, D.H.H.
Deposit date:2008-04-01
Release date:2008-05-20
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of wild-type human matrix metalloproteinase 12 (MMP-12) in complex with a tight-binding inhibitor.
J.Biomol.Nmr, 41, 2008
1HMF
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BU of 1hmf by Molmil
STRUCTURE OF THE HMG BOX MOTIF IN THE B-DOMAIN OF HMG1
Descriptor: HIGH MOBILITY GROUP PROTEIN FRAGMENT-B
Authors:Weir, H.M, Kraulis, P.J, Hill, C.S, Raine, A.R.C, Laue, E.D, Thomas, J.O.
Deposit date:1994-03-07
Release date:1994-05-31
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structure of the HMG box motif in the B-domain of HMG1.
EMBO J., 12, 1993
2JUU
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BU of 2juu by Molmil
allo-ThrA3 DKP-insulin
Descriptor: Insulin A chain, Insulin B chain
Authors:Huang, K, Chan, S, Hua, Q, Chu, Y, Wang, R, Klaproth, B, Jia, W, Whittaker, J, De Meyts, P, Nakagawa, S.H, Steiner, D.F, Katsoyannis, P.G, Weiss, M.A.
Deposit date:2007-09-03
Release date:2007-10-16
Last modified:2024-10-09
Method:SOLUTION NMR
Cite:The A-chain of Insulin Contacts the Insert Domain of the Insulin Receptor: PHOTO-CROSS-LINKING AND MUTAGENESIS OF A DIABETES-RELATED CREVICE.
J.Biol.Chem., 282, 2007
5SB1
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BU of 5sb1 by Molmil
DDR1, 4-chloro-N-[(3S,4R)-4-phenylpyrrolidin-3-yl]-3-(1H-pyrrolo[2,3-b]pyridin-5-yloxymethyl)benzamide, 1.530A, P212121, Rfree=21.4%
Descriptor: 4-chloro-N-[(3S,4R)-4-phenylpyrrolidin-3-yl]-3-{[(1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]methyl}benzamide, Epithelial discoidin domain-containing receptor 1, SULFATE ION
Authors:Stihle, M, Richter, H, Benz, J, Hochstrasser, R, Rudolph, M.G.
Deposit date:2021-06-22
Release date:2022-06-29
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Crystal Structure of a DDR1 complex
To be published
5SAZ
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BU of 5saz by Molmil
DDR1, 3-chloro-N-[4-chloro-3-(1H-pyrrolo[2,3-b]pyridin-5-ylcarbamoyl)phenyl]-4-(2-hydroxyethylamino)benzamide, 1.802A, P212121, Rfree=22.2%
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-chloro-5-{3-chloro-4-[(2-hydroxyethyl)amino]benzamido}-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide, CHLORIDE ION, ...
Authors:Stihle, M, Richter, H, Benz, J, Hochstrasser, R, Rudolph, M.G.
Deposit date:2021-06-22
Release date:2022-06-29
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure of a DDR1 complex
To be published
8G3Z
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BU of 8g3z by Molmil
Neuraminidase of B/Massachusetts/02/2012 (Yamagata) in complex with 4 FNI17 Fab molecules
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, FNI17 Fab heavy chain, ...
Authors:Dang, H.V, Snell, G.
Deposit date:2023-02-08
Release date:2023-05-31
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (2.3 Å)
Cite:A pan-influenza antibody inhibiting neuraminidase via receptor mimicry.
Nature, 618, 2023
8VW5
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BU of 8vw5 by Molmil
Crystal structure of Cbl-b TKB bound to compound 2
Descriptor: CALCIUM ION, E3 ubiquitin-protein ligase CBL-B, MAGNESIUM ION, ...
Authors:Yu, C, Murray, J, Hsu, P.L.
Deposit date:2024-01-31
Release date:2024-07-03
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Optimization of a Novel DEL Hit That Binds in the Cbl-b SH2 Domain and Blocks Substrate Binding.
Acs Med.Chem.Lett., 15, 2024
7ZPF
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BU of 7zpf by Molmil
Three-dimensional structure of AIP56, a short-trip single chain AB toxin from Photobacterium damselae subsp. piscicida.
Descriptor: Aip56, GLYCEROL, NICKEL (II) ION, ...
Authors:Lisboa, J, Pereira, P.J.B, dos Santos, N.M.S.
Deposit date:2022-04-27
Release date:2023-05-10
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Unconventional structure and mechanisms for membrane interaction and translocation of the NF-kappa B-targeting toxin AIP56.
Nat Commun, 14, 2023
6CWD
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BU of 6cwd by Molmil
Hepatitis B core-antigen in complex with scFv e13
Descriptor: Capsid protein, Single chain variable fragment (scFv) e13
Authors:Eren, E, Steven, A.C, Wingfield, P.T.
Deposit date:2018-03-30
Release date:2018-08-29
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (3.33 Å)
Cite:Structures of Hepatitis B Virus Core- and e-Antigen Immune Complexes Suggest Multi-point Inhibition.
Structure, 26, 2018
7XRK
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BU of 7xrk by Molmil
Diol dehydratase complexed with AdoMeCbl
Descriptor: (2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-ethyl-oxolane-3,4-diol, CALCIUM ION, COBALAMIN, ...
Authors:Shibata, N, Toraya, T.
Deposit date:2022-05-10
Release date:2023-03-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Insights into the Very Low Activity of the Homocoenzyme B 12 Adenosylmethylcobalamin in Coenzyme B 12 -Dependent Diol Dehydratase and Ethanolamine Ammonia-Lyase.
Chemistry, 28, 2022
6N0P
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BU of 6n0p by Molmil
BRAF in complex with N-(3-(2-(2-hydroxyethoxy)-6-morpholinopyridin-4-yl)-4-methylphenyl)-2-(trifluoromethyl)isonicotinamide (LXH254)
Descriptor: N-{3-[2-(2-hydroxyethoxy)-6-(morpholin-4-yl)pyridin-4-yl]-4-methylphenyl}-2-(trifluoromethyl)pyridine-4-carboxamide, Serine/threonine-protein kinase B-raf
Authors:Mamo, M, Appleton, B.A.
Deposit date:2018-11-07
Release date:2019-09-04
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Design and Discovery ofN-(3-(2-(2-Hydroxyethoxy)-6-morpholinopyridin-4-yl)-4-methylphenyl)-2-(trifluoromethyl)isonicotinamide, a Selective, Efficacious, and Well-Tolerated RAF Inhibitor Targeting RAS Mutant Cancers: The Path to the Clinic.
J.Med.Chem., 63, 2020
1CIN
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BU of 1cin by Molmil
THE POSITIONS OF HIS-64 AND A BOUND WATER IN HUMAN CARBONIC ANHYDRASE II UPON BINDING THREE STRUCTURALLY RELATED INHIBITORS
Descriptor: (4S-TRANS)-4-(METHYLAMINO)-5,6-DIHYDRO-6-METHYL-4H-THIENO(2,3-B)THIOPYRAN-2-SULFONAMIDE-7,7-DIOXIDE, CARBONIC ANHYDRASE II, METHYL MERCURY ION, ...
Authors:Smith, G.M, Alexander, R.S, Christianson, D.W, Mckeever, B.M, Ponticello, G.S, Springer, J.P, Randall, W.C, Baldwin, J.J, Habecker, C.N.
Deposit date:1993-10-20
Release date:1994-01-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Positions of His-64 and a bound water in human carbonic anhydrase II upon binding three structurally related inhibitors.
Protein Sci., 3, 1994
7XRM
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BU of 7xrm by Molmil
Ethanolamine ammonia-lyase complexed with AdoMeCbl
Descriptor: (2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-ethyl-oxolane-3,4-diol, AMMONIUM ION, COBALAMIN, ...
Authors:Shibata, N, Toraya, T.
Deposit date:2022-05-10
Release date:2023-03-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Structural Insights into the Very Low Activity of the Homocoenzyme B 12 Adenosylmethylcobalamin in Coenzyme B 12 -Dependent Diol Dehydratase and Ethanolamine Ammonia-Lyase.
Chemistry, 28, 2022
7XRL
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BU of 7xrl by Molmil
Diol dehydratase complexed with AdoMeCbl and 1,2-propanediol
Descriptor: (2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-ethyl-oxolane-3,4-diol, AMMONIUM ION, CALCIUM ION, ...
Authors:Shibata, N, Toraya, T.
Deposit date:2022-05-10
Release date:2023-03-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural Insights into the Very Low Activity of the Homocoenzyme B 12 Adenosylmethylcobalamin in Coenzyme B 12 -Dependent Diol Dehydratase and Ethanolamine Ammonia-Lyase.
Chemistry, 28, 2022
7XR9
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BU of 7xr9 by Molmil
Crystal structure of DgpA with glucose
Descriptor: DgpA, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, beta-D-glucopyranose
Authors:Ma, W, He, P.
Deposit date:2022-05-09
Release date:2023-04-05
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Structural mechanism of a dual-functional enzyme DgpA/B/C as both a C -glycoside cleaving enzyme and an O - to C -glycoside isomerase.
Acta Pharm Sin B, 13, 2023
7ABG
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BU of 7abg by Molmil
Human pre-Bact-1 spliceosome
Descriptor: 116 kDa U5 small nuclear ribonucleoprotein component, 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE-5'-GUANOSINE, Cell division cycle 5-like protein, ...
Authors:Townsend, C, Kastner, B, Leelaram, M.N, Bertram, K, Stark, H, Luehrmann, R.
Deposit date:2020-09-07
Release date:2020-12-23
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (7.8 Å)
Cite:Mechanism of protein-guided folding of the active site U2/U6 RNA during spliceosome activation.
Science, 370, 2020
5WJZ
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BU of 5wjz by Molmil
Cryo-EM structure of B. subtilis flagellar filaments E115G
Descriptor: Flagellin
Authors:Wang, F, Burrage, A.M, Orlova, A, Kearns, D.B, Egelman, E.H.
Deposit date:2017-07-24
Release date:2017-10-25
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (5.7 Å)
Cite:A structural model of flagellar filament switching across multiple bacterial species.
Nat Commun, 8, 2017
1CIL
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BU of 1cil by Molmil
THE POSITIONS OF HIS-64 AND A BOUND WATER IN HUMAN CARBONIC ANHYDRASE II UPON BINDING THREE STRUCTURALLY RELATED INHIBITORS
Descriptor: (4S-TRANS)-4-(ETHYLAMINO)-5,6-DIHYDRO-6-METHYL-4H-THIENO(2,3-B)THIOPYRAN-2-SULFONAMIDE-7,7-DIOXIDE, CARBONIC ANHYDRASE II, ZINC ION
Authors:Smith, G.M, Alexander, R.S, Christianson, D.W, Mckeever, B.M, Ponticello, G.S, Springer, J.P, Randall, W.C, Baldwin, J.J, Habecker, C.N.
Deposit date:1993-10-20
Release date:1994-01-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Positions of His-64 and a bound water in human carbonic anhydrase II upon binding three structurally related inhibitors.
Protein Sci., 3, 1994
6WY0
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BU of 6wy0 by Molmil
CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH Compound-40 A.K.A 7-[(1R)-1-phenyl-3-{[(1r,4r)-4-phenylcyclohexyl]amino}propyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 7-{(1R)-1-phenyl-3-[(trans-4-phenylcyclohexyl)amino]propyl}-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine, ...
Authors:Khan, J.A.
Deposit date:2020-05-12
Release date:2020-10-14
Last modified:2024-12-25
Method:X-RAY DIFFRACTION (2.799 Å)
Cite:Discovery and structure activity relationships of 7-benzyl triazolopyridines as stable, selective, and reversible inhibitors of myeloperoxidase.
Bioorg.Med.Chem., 28, 2020
8QPK
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BU of 8qpk by Molmil
Cryo-EM Structure of Pre-B+5'ss Complex (core part)
Descriptor: 116 kDa U5 small nuclear ribonucleoprotein component, 5'ss oligo, INOSITOL HEXAKISPHOSPHATE, ...
Authors:Zhang, Z, Kumar, V, Dybkov, O, Will, C.L, Zhong, J, Ludwig, S, Urlaub, H, Kastner, B, Stark, H, Luehrmann, R.
Deposit date:2023-10-02
Release date:2024-05-22
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Structural insights into the cross-exon to cross-intron spliceosome switch.
Nature, 630, 2024
8QPA
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BU of 8qpa by Molmil
Cryo-EM Structure of Pre-B+5'ssLNG Complex (core part)
Descriptor: 116 kDa U5 small nuclear ribonucleoprotein component, 5'ss oligo, INOSITOL HEXAKISPHOSPHATE, ...
Authors:Zhang, Z, Kumar, V, Dybkov, O, Will, C.L, Zhong, J, Ludwig, S, Urlaub, H, Kastner, B, Stark, H, Luehrmann, R.
Deposit date:2023-10-01
Release date:2024-05-22
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structural insights into the cross-exon to cross-intron spliceosome switch.
Nature, 630, 2024
8GIJ
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BU of 8gij by Molmil
TEM-1 Beta Lactamase Variant 80.b
Descriptor: TEM-1 Beta Lactmase Variant 80.b
Authors:Fram, B.F, Gauthier, N.P, Khan, A, Sander, C.
Deposit date:2023-03-14
Release date:2024-04-17
Last modified:2024-07-17
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Simultaneous enhancement of multiple functional properties using evolution-informed protein design.
Nat Commun, 15, 2024

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數據於2025-07-09公開中

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