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8FR9
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BU of 8fr9 by Molmil
Mouse acidic mammalian chitinase, catalytic domain in complex with N,N'-diacetylchitobiose at pH 5.08
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Acidic mammalian chitinase, ...
Authors:Diaz, R.E, Fraser, J.S.
Deposit date:2023-01-06
Release date:2023-03-15
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural characterization of ligand binding and pH-specific enzymatic activity of mouse Acidic Mammalian Chitinase.
Biorxiv, 2024
8FRG
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BU of 8frg by Molmil
Mouse acidic mammalian chitinase, catalytic domain in complex with N,N'-diacetylchitobiose at pH 5.43
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Acidic mammalian chitinase, ...
Authors:Diaz, R.E, Fraser, J.S.
Deposit date:2023-01-06
Release date:2023-03-15
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Structural characterization of ligand binding and pH-specific enzymatic activity of mouse Acidic Mammalian Chitinase.
Biorxiv, 2024
6YIN
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BU of 6yin by Molmil
Crystal structure of the first bromodomain of BRD4 in complex with a benzo-diazepine ligand
Descriptor: (4~{R})-~{N}-[3-(7-methoxy-3,4-dihydro-2~{H}-quinolin-1-yl)propyl]-4-methyl-2-oxidanylidene-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide, Bromodomain-containing protein 4
Authors:Picaud, S, Brand, M, Tobias, K, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Conway, S, Filippakopoulos, P.
Deposit date:2020-04-01
Release date:2020-04-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Crystal structure of the first bromodomain of BRD4 in complex with a benzo-diazepine ligand
To Be Published
6N13
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BU of 6n13 by Molmil
UbcH7-Ub Complex with R0RBR Parkin and phosphoubiquitin
Descriptor: E3 ubiquitin-protein ligase parkin, Ubiquitin-conjugating enzyme E2 L3, ZINC ION, ...
Authors:Condos, T.E.C, Dunkerley, K.M, Freeman, E.A, Barber, K.R, Aguirre, J.D, Chaugule, V.K, Xiao, Y, Konermann, L, Walden, H, Shaw, G.S.
Deposit date:2018-11-08
Release date:2018-11-28
Last modified:2024-11-13
Method:SOLUTION NMR
Cite:Synergistic recruitment of UbcH7~Ub and phosphorylated Ubl domain triggers parkin activation.
EMBO J., 37, 2018
8D3S
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BU of 8d3s by Molmil
HIV-1 Integrase Catalytic Core Domain F185H Mutant Complexed with BKC-110
Descriptor: (2S)-tert-butoxy{4-(4-chlorophenyl)-2,6-dimethyl-1-[(1-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl}acetic acid, Integrase
Authors:Dinh, T, Kvaratskhelia, M.
Deposit date:2022-06-01
Release date:2023-06-14
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:The structural and mechanistic bases for the viral resistance to allosteric HIV-1 integrase inhibitor pirmitegravir.
Biorxiv, 2024
1O8S
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BU of 1o8s by Molmil
Structure of CsCBM6-3 from Clostridium stercorarium in complex with cellobiose
Descriptor: CALCIUM ION, PUTATIVE ENDO-XYLANASE, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose
Authors:Boraston, A.B, Notenboom, V, Warren, R.A.J, Kilbrun, D.G, Rose, D.R, Davies, G.J.
Deposit date:2002-11-28
Release date:2003-03-13
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Structure and Ligand Binding of Carbohydrate-Binding Module Cscbm6-3 Reveals Similarities with Fucose-Specific Lectins and Galactose-Binding Domains
J.Mol.Biol., 327, 2003
3NYS
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BU of 3nys by Molmil
X-ray structure of the K185A mutant of WbpE (WlbE) from pseudomonas aeruginosa in complex with PLP at 1.45 angstrom resolution
Descriptor: Aminotransferase WbpE, PYRIDOXAL-5'-PHOSPHATE, SODIUM ION
Authors:Holden, H.M, Thoden, J.B.
Deposit date:2010-07-15
Release date:2010-07-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structural investigation on WlaRG from Campylobacter jejuni: A sugar aminotransferase.
Protein Sci., 26, 2017
3QQV
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BU of 3qqv by Molmil
Crystal structure of geranylgeranyl pyrophosphate synthase from corynebacterium glutamicum complexed with isoprenyl diphosphate and magnesium
Descriptor: DIMETHYLALLYL DIPHOSPHATE, GLYCEROL, Geranylgeranyl pyrophosphate synthase, ...
Authors:Patskovsky, Y, Toro, R, Sauder, J.M, Poulter, C.D, Gerlt, J.A, Burley, S.K, Almo, S.C, Enzyme Function Initiative (EFI), New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2011-02-16
Release date:2011-03-02
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Prediction of function for the polyprenyl transferase subgroup in the isoprenoid synthase superfamily.
Proc.Natl.Acad.Sci.USA, 110, 2013
7JDW
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BU of 7jdw by Molmil
CRYSTAL STRUCTURE OF HUMAN L-ARGININE:GLYCINE AMIDINOTRANSFERASE IN COMPLEX WITH DELTA-AMINO VALERIC ACID
Descriptor: DELTA-AMINO VALERIC ACID, PROTEIN (L-ARGININE:GLYCINE AMIDINOTRANSFERASE)
Authors:Fritsche, E, Humm, A, Huber, R.
Deposit date:1998-10-12
Release date:1999-02-09
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:The ligand-induced structural changes of human L-Arginine:Glycine amidinotransferase. A mutational and crystallographic study.
J.Biol.Chem., 274, 1999
8UH8
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BU of 8uh8 by Molmil
Crystal structure of SARS-CoV-2 main protease E166V (Apo structure)
Descriptor: ORF1a polyprotein
Authors:Bulut, H, Hayashi, H, Kuwata, N, Tsuji, K, Das, D, Tamamura, H, Mitsuya, H.
Deposit date:2023-10-07
Release date:2024-01-24
Last modified:2025-02-19
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:An orally available P1'-5-fluorinated M pro inhibitor blocks SARS-CoV-2 replication without booster and exhibits high genetic barrier.
Pnas Nexus, 4, 2025
8GAG
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BU of 8gag by Molmil
Cannabinoid receptor 1-Gi complex with novel ligand
Descriptor: Cannabinoid receptor 1, 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:Tummino, T.A, Iliopoulos-Tsoutsouvas, C, Braz, J.M, O'Brien, E.S, Krishna Kumar, K, Makriyannis, M, Basbaum, A.I, Shoichet, B.K.
Deposit date:2023-02-22
Release date:2024-02-28
Last modified:2025-06-04
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Cannabinoid receptor 1-Gi complex with novel ligand
To Be Published
5HG0
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BU of 5hg0 by Molmil
Crystal Structure of Pantoate-beta-alanine Ligase from Francisella tularensis complex with SAM
Descriptor: Pantothenate synthetase, S-ADENOSYLMETHIONINE
Authors:Chang, C, Maltseva, N, Kim, Y, Papazisi, L, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2016-01-07
Release date:2016-01-20
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structure of Pantoate-beta-alanine Ligase from Francisella tularensis complex with SAM
To Be Published
4APB
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BU of 4apb by Molmil
Crystal structure of Mycobacterium tuberculosis fumarase (Rv1098c) S318C in complex with fumarate
Descriptor: CALCIUM ION, FUMARATE HYDRATASE CLASS II, FUMARIC ACID
Authors:Bellinzoni, M, Haouz, A, Mechaly, A.E, Alzari, P.M.
Deposit date:2012-03-31
Release date:2012-04-25
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Conformational Changes Upon Ligand Binding in the Essential Class II Fumarase Rv1098C from Mycobacterium Tuberculosis.
FEBS Lett., 586, 2012
6YIL
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BU of 6yil by Molmil
Crystal structure of the CREBBP bromodomain in complex with a tetrahydroquinoxaline ligand
Descriptor: (3~{R})-~{N}-[3-(3,4-dihydro-2~{H}-quinolin-1-yl)-2,2-bis(fluoranyl)propyl]-3-methyl-2-oxidanylidene-3,4-dihydro-1~{H}-quinoxaline-5-carboxamide, CREBBP
Authors:Picaud, S, Brand, M, Tobias, K, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Conway, S, Filippakopoulos, P.
Deposit date:2020-04-01
Release date:2020-04-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:Crystal structure of the CREBBP bromodomain in complex with a tetrahydroquinoxaline ligand
To Be Published
3OXE
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BU of 3oxe by Molmil
crystal structure of glycine riboswitch, Mn2+ soaked
Descriptor: GLYCINE, MAGNESIUM ION, MANGANESE (II) ION, ...
Authors:Huang, L, Serganov, A, Patel, D.J.
Deposit date:2010-09-21
Release date:2010-12-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.899 Å)
Cite:Structural insights into ligand recognition by a sensing domain of the cooperative glycine riboswitch.
Mol.Cell, 40, 2010
7JJH
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BU of 7jjh by Molmil
Crystal structure of the unliganded tandem bromodomain (BD1, BD2) of human TAF1
Descriptor: 1,2-ETHANEDIOL, Transcription initiation factor TFIID subunit 1
Authors:Karim, M.R, Schonbrunn, E.
Deposit date:2020-07-25
Release date:2021-01-27
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery of Dual TAF1-ATR Inhibitors and Ligand-Induced Structural Changes of the TAF1 Tandem Bromodomain.
J.Med.Chem., 65, 2022
8I5I
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BU of 8i5i by Molmil
Crystal structure of SARS-CoV-2 delta variant spike receptor-binding domain (RBD) in complex with NCV2SG53 Fab
Descriptor: Fab Heavy chain, Fab Light chain, Spike protein S1
Authors:Yamamoto, A, Higashiura, A.
Deposit date:2023-01-25
Release date:2023-04-19
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (3.06 Å)
Cite:Structural basis of spike RBM-specific human antibodies counteracting broad SARS-CoV-2 variants.
Commun Biol, 6, 2023
8I5H
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BU of 8i5h by Molmil
Crystal structure of SARS-CoV-2 delta variant spike receptor-binding domain (RBD) in complex with NCV2SG48 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab Heavy chain, Fab Light chain, ...
Authors:Yamamoto, A, Higashiura, A.
Deposit date:2023-01-25
Release date:2023-04-19
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Structural basis of spike RBM-specific human antibodies counteracting broad SARS-CoV-2 variants.
Commun Biol, 6, 2023
2G2P
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BU of 2g2p by Molmil
Crystal Structure of E.coli transthyretin-related protein with bound Zn and Br
Descriptor: BROMIDE ION, SULFATE ION, Transthyretin-like protein, ...
Authors:Lundberg, E, Backstrom, S, Sauer, U.H, Sauer-Eriksson, A.E.
Deposit date:2006-02-16
Release date:2006-12-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The transthyretin-related protein: structural investigation of a novel protein family
J.Struct.Biol., 155, 2006
8UH5
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BU of 8uh5 by Molmil
Crystal structure of SARS-CoV-2 main protease in complex with an inhibitor TKB-272
Descriptor: (1R,2S,5S)-N-{(1S,2S)-1-(5-fluoro-1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, DI(HYDROXYETHYL)ETHER
Authors:Bulut, H, Hayashi, H, Kuwata, N, Tsuji, K, Das, D, Tamamura, H, Mitsuya, H.
Deposit date:2023-10-06
Release date:2023-12-13
Last modified:2025-02-19
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:An orally available P1'-5-fluorinated M pro inhibitor blocks SARS-CoV-2 replication without booster and exhibits high genetic barrier.
Pnas Nexus, 4, 2025
8UH9
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BU of 8uh9 by Molmil
Crystal structure of SARS-CoV-2 main protease E166V mutant in complex with an inhibitor TKB-272
Descriptor: (1R,2S,5S)-N-{(1S,2S)-1-(5-fluoro-1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, DI(HYDROXYETHYL)ETHER
Authors:Bulut, H, Hayashi, H, Kuwata, N, Tsuji, K, Das, D, Tamamura, H, Mitsuya, H.
Deposit date:2023-10-07
Release date:2023-12-20
Last modified:2025-02-19
Method:X-RAY DIFFRACTION (2.067 Å)
Cite:An orally available P1'-5-fluorinated M pro inhibitor blocks SARS-CoV-2 replication without booster and exhibits high genetic barrier.
Pnas Nexus, 4, 2025
1XMM
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BU of 1xmm by Molmil
Structure of human Dcps bound to m7GDP
Descriptor: 7N-METHYL-8-HYDROGUANOSINE-5'-DIPHOSPHATE, N7-METHYL-GUANOSINE-5'-MONOPHOSPHATE, PHOSPHATE ION, ...
Authors:Chen, N, Song, H.
Deposit date:2004-10-04
Release date:2005-03-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structures of human DcpS in ligand-free and m7GDP-bound forms suggest a dynamic mechanism for scavenger mRNA decapping.
J.Mol.Biol., 347, 2005
1CUA
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BU of 1cua by Molmil
CUTINASE, N172K MUTANT
Descriptor: CUTINASE
Authors:Longhi, S, Cambillau, C.
Deposit date:1995-11-16
Release date:1996-07-11
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Dynamics of Fusarium solani cutinase investigated through structural comparison among different crystal forms of its variants.
Proteins, 26, 1996
1ZB5
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BU of 1zb5 by Molmil
Recognition of peptide ligands by signalling protein from porcine mammary gland (SPP-40): Crystal structure of the complex of SPP-40 with a peptide Trp-Pro-Trp at 2.45A resolution
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, PEPTIDE TRP-PRO-TRP, signal processing protein
Authors:Srivastava, D.B, Ethayathulla, A.S, Kumar, J, Singh, N, Somvanshi, R.K, Sharma, S, Dey, S, Kaur, P, Singh, T.P.
Deposit date:2005-04-07
Release date:2005-05-10
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Recognition of peptide ligands by signalling protein from porcine mammary gland (SPP-40): Crystal structure of the complex of SPP-40 with a peptide Trp-Pro-Trp at 2.45A resolution
To be Published
2G2N
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BU of 2g2n by Molmil
Crystal Structure of E.coli transthyretin-related protein with bound Zn
Descriptor: SULFATE ION, Transthyretin-like protein, ZINC ION
Authors:Lundberg, E, Backstrom, S, Sauer, U.H, Sauer-Eriksson, A.E.
Deposit date:2006-02-16
Release date:2006-12-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:The transthyretin-related protein: structural investigation of a novel protein family
J.Struct.Biol., 155, 2006

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