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5ZDL
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BU of 5zdl by Molmil
Crystal Structure Analysis of TtQRS in co-crystallised with ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, Glutamine--tRNA ligase
Authors:Mutharasappan, N, Jain, V, Sharma, A, Manickam, Y, Jeyaraman, J.
Deposit date:2018-02-23
Release date:2018-12-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural and functional analysis of Glutaminyl-tRNA synthetase (TtGlnRS) from Thermus thermophilus HB8 and its complexes
Int. J. Biol. Macromol., 120, 2018
4MYF
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BU of 4myf by Molmil
Crystal structure of Trypanosoma cruzi formiminoglutamase(oxidized) with Mn2+2 at pH 6.0
Descriptor: Formiminoglutamase, MANGANESE (II) ION
Authors:Hai, Y, Dugery, R.J, Healy, D, Christianson, D.W.
Deposit date:2013-09-27
Release date:2013-11-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.799 Å)
Cite:Formiminoglutamase from trypanosoma cruzi is an arginase-like manganese metalloenzyme.
Biochemistry, 52, 2013
4MYK
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BU of 4myk by Molmil
Crystal structure of Trypanosoma cruzi formiminoglutamase (oxidized) with Mn2+2 at pH 8.5
Descriptor: Formiminoglutamase, MANGANESE (II) ION
Authors:Hai, Y, Dugery, R.J, Healy, D, Christianson, D.W.
Deposit date:2013-09-27
Release date:2013-11-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.518 Å)
Cite:Formiminoglutamase from trypanosoma cruzi is an arginase-like manganese metalloenzyme.
Biochemistry, 52, 2013
5OJM
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BU of 5ojm by Molmil
Structure of a chimaeric beta3-alpha5 GABAA receptor in complex with nanobody Nb25
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Human GABAA receptor chimera beta3-alpha5,Gamma-aminobutyric acid receptor subunit beta-3,Gamma-aminobutyric acid receptor subunit alpha-5, Nanobody Nb25, ...
Authors:Miller, P.S, Scott, S, Masiulis, S, De Colibus, L, Pardon, E, Steyaert, J, Aricescu, A.R.
Deposit date:2017-07-21
Release date:2017-10-04
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structural basis for GABAA receptor potentiation by neurosteroids.
Nat. Struct. Mol. Biol., 24, 2017
7F4H
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BU of 7f4h by Molmil
Cryo-EM structure of afamelanotide-bound melanocortin-1 receptor in complex with Gs protein, Nb35 and scFv16
Descriptor: Afamelanotide, CALCIUM ION, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Ma, S, Chen, Y, Dai, A, Yin, W, Guo, J, Yang, D, Zhou, F, Jiang, Y, Wang, M.-W, Xu, H.E.
Deposit date:2021-06-18
Release date:2021-09-08
Last modified:2022-02-16
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Structural mechanism of calcium-mediated hormone recognition and G beta interaction by the human melanocortin-1 receptor.
Cell Res., 31, 2021
7F4D
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BU of 7f4d by Molmil
Cryo-EM structure of alpha-MSH-bound melanocortin-1 receptor in complex with Gs protein and Nb35
Descriptor: CALCIUM ION, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Ma, S, Chen, Y, Dai, A, Yin, W, Guo, J, Yang, D, Zhou, F, Jiang, Y, Wang, M.-W, Xu, H.E.
Deposit date:2021-06-18
Release date:2021-09-08
Last modified:2022-02-16
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural mechanism of calcium-mediated hormone recognition and G beta interaction by the human melanocortin-1 receptor.
Cell Res., 31, 2021
7F4F
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BU of 7f4f by Molmil
Cryo-EM structure of afamelanotide-bound melanocortin-1 receptor in complex with Gs protein and scFv16
Descriptor: Afamelanotide, CALCIUM ION, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Ma, S, Chen, Y, Dai, A, Yin, W, Guo, J, Yang, D, Zhou, F, Jiang, Y, Wang, M.-W, Xu, H.E.
Deposit date:2021-06-18
Release date:2021-09-08
Last modified:2022-02-16
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structural mechanism of calcium-mediated hormone recognition and G beta interaction by the human melanocortin-1 receptor.
Cell Res., 31, 2021
7F4I
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BU of 7f4i by Molmil
Cryo-EM structure of SHU9119-bound melanocortin-1 receptor in complex with Gs protein and Nb35
Descriptor: CALCIUM ION, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Ma, S, Chen, Y, Dai, A, Yin, W, Guo, J, Yang, D, Zhou, F, Jiang, Y, Wang, M.-W, Xu, H.E.
Deposit date:2021-06-18
Release date:2021-09-08
Last modified:2022-02-16
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural mechanism of calcium-mediated hormone recognition and G beta interaction by the human melanocortin-1 receptor.
Cell Res., 31, 2021
4MXR
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BU of 4mxr by Molmil
Crystal structure of Trypanosoma cruzi formiminoglutamase with Mn2+2
Descriptor: Formiminoglutamase, GLYCEROL, MANGANESE (II) ION
Authors:Hai, Y, Dugery, R.-J, Healy, D, Christianson, D.W.
Deposit date:2013-09-26
Release date:2013-11-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.849 Å)
Cite:Formiminoglutamase from trypanosoma cruzi is an arginase-like manganese metalloenzyme.
Biochemistry, 52, 2013
7OBO
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BU of 7obo by Molmil
GSTF1 from Alopecurus myosuroides
Descriptor: (2~{S})-2-azanyl-5-[[(2~{R})-1-(2-hydroxy-2-oxoethylamino)-3-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid, Glutathione transferase
Authors:Pohl, E, Eno, R.F.M, Freitag-Pohl, S.
Deposit date:2021-04-23
Release date:2022-04-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Flavonoid-based inhibitors of the Phi-class glutathione transferase from black-grass to combat multiple herbicide resistance.
Org.Biomol.Chem., 19, 2021
5DZD
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BU of 5dzd by Molmil
Crystal Structure of WW4 domain of ITCH in complex with TXNIP peptide
Descriptor: E3 ubiquitin-protein ligase Itchy homolog, Thioredoxin-interacting protein, UNKNOWN ATOM OR ION
Authors:Liu, Y, Tempel, W, Dong, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2015-09-25
Release date:2015-10-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Crystal Structure of WW4 domain of ITCH in complex with TXNIP peptide
To be Published
3H8H
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BU of 3h8h by Molmil
Structure of the C-terminal domain of human RNF2/RING1B;
Descriptor: CHLORIDE ION, E3 ubiquitin-protein ligase RING2, GLYCEROL, ...
Authors:Walker, J.R, Bezsonova, I, Bacik, J, Duan, S, Weigelt, J, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
Deposit date:2009-04-29
Release date:2009-06-23
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Ring1B contains a ubiquitin-like docking module for interaction with Cbx proteins.
Biochemistry, 48, 2009
3HCU
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BU of 3hcu by Molmil
Crystal structure of TRAF6 in complex with Ubc13 in the C2 space group
Descriptor: TNF receptor-associated factor 6, Ubiquitin-conjugating enzyme E2 N, ZINC ION
Authors:Yin, Q, Lin, S.-C, Lamothe, B, Lu, M, Lo, Y.-C, Hura, G, Zheng, L, Rich, R.L, Campos, A.D, Myszka, D.G, Lenardo, M.J, Darnay, B.G, Wu, H.
Deposit date:2009-05-06
Release date:2009-05-26
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:E2 interaction and dimerization in the crystal structure of TRAF6.
Nat.Struct.Mol.Biol., 16, 2009
3HCT
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BU of 3hct by Molmil
Crystal structure of TRAF6 in complex with Ubc13 in the P1 space group
Descriptor: TNF receptor-associated factor 6, Ubiquitin-conjugating enzyme E2 N, ZINC ION
Authors:Yin, Q, Lin, S.-C, Lamothe, B, Lu, M, Lo, Y.-C, Hura, G, Zheng, L, Rich, R.L, Campos, A.D, Myszka, D.G, Lenardo, M.J, Darnay, B.G, Wu, H.
Deposit date:2009-05-06
Release date:2009-05-26
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:E2 interaction and dimerization in the crystal structure of TRAF6.
Nat.Struct.Mol.Biol., 16, 2009
4FIT
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BU of 4fit by Molmil
FHIT-APO
Descriptor: FRAGILE HISTIDINE TRIAD PROTEIN
Authors:Lima, C.D, Klein, M.G, Hendrickson, W.A.
Deposit date:1997-09-25
Release date:1998-03-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure-based analysis of catalysis and substrate definition in the HIT protein family.
Science, 278, 1997
2GY7
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BU of 2gy7 by Molmil
Angiopoietin-2/Tie2 Complex Crystal Structure
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Barton, W.A, Nikolov, D.B.
Deposit date:2006-05-09
Release date:2006-06-06
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:Crystal structures of the Tie2 receptor ectodomain and the angiopoietin-2-Tie2 complex.
Nat.Struct.Mol.Biol., 13, 2006
1FVM
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BU of 1fvm by Molmil
Complex of vancomycin with DI-acetyl-LYS-D-ALA-D-ALA
Descriptor: DI-ACETYL-LYS-D-ALA-D-ALA, VANCOMYCIN, vancosamine-(1-2)-beta-D-glucopyranose
Authors:Nitanai, Y, Kakoi, K, Aoki, K.
Deposit date:2000-09-20
Release date:2000-11-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structures of the Complexes between Vancomycin and Cell-Wall Precursor Analogs.
J.Mol.Biol., 385, 2009
4DE5
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BU of 4de5 by Molmil
Pantothenate synthetase in complex with fragment 6
Descriptor: (2S)-2,3-dihydro-1,4-benzodioxine-2-carboxylic acid, 1,2-ETHANEDIOL, ETHANOL, ...
Authors:Silvestre, H.L.
Deposit date:2012-01-19
Release date:2013-03-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Integrated biophysical approach to fragment screening and validation for fragment-based lead discovery.
Proc.Natl.Acad.Sci.USA, 110, 2013
1QC5
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BU of 1qc5 by Molmil
I Domain from Integrin Alpha1-Beta1
Descriptor: MAGNESIUM ION, PROTEIN (ALPHA1 BETA1 INTEGRIN)
Authors:Deivanayagam, C.C, Narayana, S.V.
Deposit date:1999-05-17
Release date:2000-05-17
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Trench-shaped binding sites promote multiple classes of interactions between collagen and the adherence receptors, alpha(1)beta(1) integrin and Staphylococcus aureus cna MSCRAMM.
J.Biol.Chem., 274, 1999
2A4M
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BU of 2a4m by Molmil
Structure of Trprs II bound to ATP
Descriptor: TRYPTOPHAN, Tryptophanyl-tRNA synthetase II
Authors:Buddha, M.R, Crane, B.R.
Deposit date:2005-06-29
Release date:2005-08-02
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structures of Tryptophanyl-tRNA Synthetase II from Deinococcus radiodurans Bound to ATP and Tryptophan: Insight into subunit cooperativity and domain motions linked to catalysis
J.Biol.Chem., 280, 2005
2JUP
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BU of 2jup by Molmil
FBP28WW2 domain in complex with the PPLIPPPP peptide
Descriptor: Formin-1, Transcription elongation regulator 1
Authors:Ramirez-Espain, X, Ruiz, L, Martin-Malpartida, P, Oschkinat, H, Macias, M.J.
Deposit date:2007-09-01
Release date:2007-11-06
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structural Characterization of a New Binding Motif and a Novel Binding Mode in Group 2 WW Domains
J.Mol.Biol., 373, 2007
4DDM
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BU of 4ddm by Molmil
Pantothenate synthetase in complex with 2,1,3-benzothiadiazole-5-carboxylic acid
Descriptor: 1,2-ETHANEDIOL, 2,1,3-benzothiadiazole-5-carboxylic acid, ETHANOL, ...
Authors:Silvestre, H.L.
Deposit date:2012-01-18
Release date:2013-02-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Integrated biophysical approach to fragment screening and validation for fragment-based lead discovery.
Proc.Natl.Acad.Sci.USA, 110, 2013
5SQ0
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BU of 5sq0 by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with REAL300007260658 - (S,S) isomer
Descriptor: (2S,4S)-1-(6-fluoro-2-hydroxyquinoline-4-carbonyl)-4-methylazetidine-2-carboxylic acid, Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-06-09
Release date:2022-07-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
5SRW
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BU of 5srw by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z2364914118 - (S) isomer
Descriptor: Non-structural protein 3, methyl [(2S)-4-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]acetate
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-06-09
Release date:2022-07-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
5SPZ
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BU of 5spz by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with REAL250001448407 - (S) isomer
Descriptor: (3S)-3-(fluoromethyl)-1-(6-oxo-1,6-dihydropyridazine-4-carbonyl)pyrrolidine-3-carboxylic acid, Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-06-09
Release date:2022-07-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023

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