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3UIF
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BU of 3uif by Molmil
CRYSTAL STRUCTURE OF putative sulfonate ABC transporter, periplasmic sulfonate-binding protein SsuA from Methylobacillus flagellatus KT
Descriptor: GLYCEROL, SULFATE ION, Sulfonate ABC transporter, ...
Authors:Malashkevich, V.N, Bonanno, J.B, Bhosle, R, Toro, R, Seidel, R, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2011-11-04
Release date:2011-11-23
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:CRYSTAL STRUCTURE OF putative sulfonate ABC transporter, periplasmic sulfonate-binding protein SsuA from Methylobacillus flagellatus KT
To be Published
6X6P
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BU of 6x6p by Molmil
Characterization of the SARS-CoV-2 S Protein: Biophysical, Biochemical, Structural, and Antigenic Analysis
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Herrera, N.G, Morano, N.C, Celikgil, A, Georgiev, G.I, Malonis, R, Lee, J.H, Tong, K, Vergnolle, O, Massimi, A, Yen, L.Y, Noble, A.J, Kopylov, M, Bonanno, J.B, Garrett-Thompson, S.C, Hayes, D.B, Brenowitz, M, Garforth, S.J, Eng, E.T, Lai, J.R, Almo, S.C.
Deposit date:2020-05-28
Release date:2020-06-10
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (3.22 Å)
Cite:Characterization of the SARS-CoV-2 S Protein: Biophysical, Biochemical, Structural, and Antigenic Analysis.
Biorxiv, 2020
9DFW
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BU of 9dfw by Molmil
X-ray crystal structure of an engineered Viperin-like enzyme from T. virens with bound CTP and SAM
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CYTIDINE-5'-TRIPHOSPHATE, GLYCEROL, ...
Authors:Lachowicz, J.C, Bonanno, J.B, Grove, T.L.
Deposit date:2024-08-30
Release date:2025-02-12
Last modified:2025-05-28
Method:X-RAY DIFFRACTION (1.677 Å)
Cite:Structural insights from active site variants and beta-8 loop interactions in viperin-like enzymes.
Structure, 2025
9DGW
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BU of 9dgw by Molmil
X-ray crystal structure of the Viperin-like enzyme from T. virens with bound CTP and SAM
Descriptor: CYTIDINE-5'-TRIPHOSPHATE, IRON/SULFUR CLUSTER, Radical SAM core domain-containing protein, ...
Authors:Lachowicz, J.C, Bonanno, J.B, Grove, T.L.
Deposit date:2024-09-03
Release date:2025-02-12
Last modified:2025-05-28
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Structural insights from active site variants and beta-8 loop interactions in viperin-like enzymes.
Structure, 2025
9DFU
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BU of 9dfu by Molmil
X-ray crystal structure of the second Viperin-like enzyme from T. virens variant F40H with bound CTP and SAM
Descriptor: CHLORIDE ION, CYTIDINE-5'-TRIPHOSPHATE, IRON/SULFUR CLUSTER, ...
Authors:Lachowicz, J.C, Bonanno, J.B, Grove, T.L.
Deposit date:2024-08-30
Release date:2025-02-19
Last modified:2025-05-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural insights from active site variants and beta-8 loop interactions in viperin-like enzymes.
Structure, 2025
9DFN
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BU of 9dfn by Molmil
X-ray crystal structure of the second viperin-like enzyme from Trichoderma virens with bound CTP and SAM
Descriptor: CHLORIDE ION, CYTIDINE-5'-TRIPHOSPHATE, IRON/SULFUR CLUSTER, ...
Authors:Lachowicz, J.C, Grove, T.G, Bonanno, J.B.
Deposit date:2024-08-30
Release date:2025-02-19
Last modified:2025-05-28
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural insights from active site variants and beta-8 loop interactions in viperin-like enzymes.
Structure, 2025
9C66
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BU of 9c66 by Molmil
Structure of the Mena EVH1 domain bound to the polyproline segment of PTP1B
Descriptor: 1,2-ETHANEDIOL, Protein enabled homolog, SULFATE ION, ...
Authors:LaComb, L, Fedorov, E, Bonanno, J.B, Almo, S.C, Ghosh, A.
Deposit date:2024-06-07
Release date:2024-08-28
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Insights into the Interaction Landscape of the EVH1 Domain of Mena.
Biochemistry, 63, 2024
6W4L
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BU of 6w4l by Molmil
The crystal structure of a single chain H2B-H2A histone chimera from Xenopus laevis
Descriptor: Histone H2B 1.1,Histone H2A type 1, PYROPHOSPHATE
Authors:Warren, C, Bonanno, J.B, Almo, S.C, Shechter, D.
Deposit date:2020-03-11
Release date:2020-05-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:Structure of a single-chain H2A/H2B dimer.
Acta Crystallogr.,Sect.F, 76, 2020
4QUQ
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BU of 4quq by Molmil
Crystal structure of stachydrine demethylase in complex with azide
Descriptor: AZIDE ION, COBALT HEXAMMINE(III), FE (III) ION, ...
Authors:Agarwal, R, Andi, B, Gizzi, A, Bonanno, J.B, Almo, S.C, Orville, A.M.
Deposit date:2014-07-11
Release date:2015-07-15
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.266 Å)
Cite:Tracking photoelectron induced in-crystallo enzyme catalysis
To be Published
4QUP
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BU of 4qup by Molmil
Crystal structure of stachydrine demethylase with N-methyl proline from low X-ray dose composite datasets
Descriptor: 1-methyl-L-proline, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, COBALT HEXAMMINE(III), ...
Authors:Agarwal, R, Andi, B, Gizzi, A, Bonanno, J.B, Almo, S.C, Orville, A.M.
Deposit date:2014-07-11
Release date:2015-07-15
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Tracking photoelectron induced in-crystallo enzyme catalysis
To be Published
4QUR
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BU of 4qur by Molmil
Crystal Structure of stachydrine demethylase in complex with cyanide, oxygen, and N-methyl proline in a new orientation
Descriptor: 1-methyl-L-proline, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, COBALT HEXAMMINE(III), ...
Authors:Agarwal, R, Andi, B, Gizzi, A, Bonanno, J.B, Almo, S.C, Orville, A.M.
Deposit date:2014-07-11
Release date:2015-07-15
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.759 Å)
Cite:Tracking photoelectron induced in-crystallo enzyme catalysis
To be Published
5IAI
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BU of 5iai by Molmil
Crystal structure of ABC transporter Solute Binding Protein Arad_9887 from Agrobacterium radiobacter K84, target EFI-510945 in complex with Ribitol
Descriptor: D-ribitol, GLYCEROL, Sugar ABC transporter
Authors:Vetting, M.W, Bonanno, J.B, Al Obaidi, N.F, Morisco, L.L, Benach, J, Koss, J, Wasserman, S.R, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2016-02-21
Release date:2016-03-09
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of ABC transporter Solute Binding Protein Arad_9887 from Agrobacterium radiobacter K84, target EFI-510945 in complex with Ribitol
To be published
5TNV
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BU of 5tnv by Molmil
Crystal Structure of a Xylose isomerase-like TIM barrel Protein from Mycobacterium smegmatis in Complex with Magnesium
Descriptor: AP endonuclease, family protein 2, MAGNESIUM ION
Authors:Cook, W.J, Fedorov, A.A, Fedorov, E.V, Huang, H, Bonanno, J.B, Gerlt, J.A, Almo, S.C.
Deposit date:2016-10-14
Release date:2016-11-09
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.04 Å)
Cite:Crystal Structure of a Xylose isomerase-like TIM barrel Protein from Mycobacterium smegmatis in Complex with Magnesium
To Be Published
5TRU
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BU of 5tru by Molmil
Structure of the first-in-class checkpoint inhibitor Ipilimumab bound to human CTLA-4
Descriptor: Cytotoxic T-lymphocyte protein 4, Ipilimumab Fab heavy chain, Ipilimumab Fab light chain
Authors:Ramagopal, U.A, Liu, W, Garrett-Thomson, S.C, Yan, Q, Srinivasan, M, Wong, S.C, Bell, A, Mankikar, S, Rangan, V.S, Deshpande, S, Bonanno, J.B, Korman, A.J, Almo, S.C.
Deposit date:2016-10-27
Release date:2017-05-10
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural basis for cancer immunotherapy by the first-in-class checkpoint inhibitor ipilimumab.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5E5M
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BU of 5e5m by Molmil
Crystal structure of mouse CTLA-4 in complex with nanobody
Descriptor: CTLA-4 nanobody, Cytotoxic T-lymphocyte protein 4, GLYCEROL
Authors:Fedorov, A.A, Fedorov, E.V, Samanta, D, Bonanno, J.B, Almo, S.C.
Deposit date:2015-10-08
Release date:2016-10-12
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.182 Å)
Cite:Crystal structure of mouse CTLA-4 in complex with nanobody
To Be Published
5DK6
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BU of 5dk6 by Molmil
CRYSTAL STRUCTURE OF A 5'-METHYLTHIOADENOSINE/S-ADENOSYLHOMOCYSTEINE (MTA/SAH) NUCLEOSIDASE (MTAN) FROM COLWELLIA PSYCHRERYTHRAEA 34H (CPS_4743, TARGET PSI-029300) IN COMPLEX WITH ADENINE AT 2.27 A RESOLUTION
Descriptor: 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase, ADENINE, GLYCINE
Authors:Himmel, D.M, Bhosle, R, Toro, R, Ahmed, M, Hillerich, B, Gizzi, A, Garforth, S, Kar, A, Chan, M.K, Lafluer, J, Patel, H, Matikainen, B, Chamala, S, Lim, S, Celikgil, A, Villegas, G, Evans, B, Love, J, Fiser, A, Seidel, R.D, Bonanno, J.B, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2015-09-03
Release date:2015-11-04
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:CRYSTAL STRUCTURE OF A 5'-METHYLTHIOADENOSINE/S-ADENOSYLHOMOCYSTEINE (MTA/SAH)NUCLEOSIDASE (MTAN) FROM COLWELLIA PSYCHRERYTHRAEA 34H (CPS_4743, TARGET PSI-029300) IN COMPLEX WITH ADENINE AT 2.27 A RESOLUTION
To be published
5E56
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BU of 5e56 by Molmil
Crystal structure of mouse CTLA-4
Descriptor: Cytotoxic T-lymphocyte protein 4, SODIUM ION
Authors:Fedorov, A.A, Fedorov, E.V, SAMANTA, D, Bonanno, J.B, Almo, S.C.
Deposit date:2015-10-07
Release date:2015-10-28
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.504 Å)
Cite:Crystal structure of mouse CTLA-4
To Be Published
5E03
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BU of 5e03 by Molmil
Crystal structure of mouse CTLA-4 nanobody
Descriptor: CTLA-4 nanobody, SULFATE ION
Authors:Fedorov, A.A, Fedorov, E.V, Samanta, D, Bonanno, J.B, Almo, S.C.
Deposit date:2015-09-28
Release date:2015-10-07
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.685 Å)
Cite:Crystal structure of mouse CTLA-4 nanobody
To Be Published
6OI3
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BU of 6oi3 by Molmil
Crystal structure of human WDR5 in complex with monomethyl H3R2 peptide
Descriptor: GLYCEROL, Monomethyl H3R2 peptide, SULFATE ION, ...
Authors:Lorton, B.M, Harijan, R.K, Burgos, E, Bonanno, J.B, Almo, S.C, Shechter, D.
Deposit date:2019-04-08
Release date:2020-04-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:A Binary Arginine Methylation Switch on Histone H3 Arginine 2 Regulates Its Interaction with WDR5.
Biochemistry, 59, 2020
6OI1
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BU of 6oi1 by Molmil
Crystal structure of human WDR5 in complex with monomethyl L-arginine
Descriptor: (2S)-2-amino-5-[(N-methylcarbamimidoyl)amino]pentanoic acid, GLYCEROL, SULFATE ION, ...
Authors:Lorton, B.M, Harijan, R.K, Burgos, E, Bonanno, J.B, Almo, S.C, Shechter, D.
Deposit date:2019-04-08
Release date:2020-04-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:A Binary Arginine Methylation Switch on Histone H3 Arginine 2 Regulates Its Interaction with WDR5.
Biochemistry, 59, 2020
6OFZ
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BU of 6ofz by Molmil
Crystal structure of human WDR5
Descriptor: WD repeat-containing protein 5
Authors:Lorton, B.M, Harijan, R.K, Burgos, E, Bonanno, J.B, Almo, S.C, Shechter, D.
Deposit date:2019-04-01
Release date:2020-04-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:A Binary Arginine Methylation Switch on Histone H3 Arginine 2 Regulates Its Interaction with WDR5.
Biochemistry, 59, 2020
6OI2
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BU of 6oi2 by Molmil
Crystal structure of human WDR5 in complex with symmetric dimethyl-L-arginine
Descriptor: GLYCEROL, N3, N4-DIMETHYLARGININE, ...
Authors:Lorton, B.M, Harijan, R.K, Burgos, E, Bonanno, J.B, Almo, S.C, Shechter, D.
Deposit date:2019-04-08
Release date:2020-04-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:A Binary Arginine Methylation Switch on Histone H3 Arginine 2 Regulates Its Interaction with WDR5.
Biochemistry, 59, 2020
1TWI
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BU of 1twi by Molmil
Crystal structure of Diaminopimelate Decarboxylase from m. jannaschii in co-complex with L-lysine
Descriptor: Diaminopimelate decarboxylase, LYSINE, MAGNESIUM ION, ...
Authors:Rajashankar, K.R, Ray, S.S, Bonanno, J.B, Pinho, M.G, He, G, De Lencastre, H, Tomasz, A, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2004-07-01
Release date:2004-07-27
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Cocrystal structures of diaminopimelate decarboxylase: mechanism, evolution, and inhibition of an antibiotic resistance accessory factor
Structure, 10, 2002
4WR2
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BU of 4wr2 by Molmil
Crystal structure of a putative pyrimidine-specific ribonucleoside hydrolase (RihA) Protein from Shewanella loihica PV-4 (SHEW_0697, Target PSI-029635) with divalent cation and PEG 400 bound at the active site
Descriptor: CALCIUM ION, PENTAETHYLENE GLYCOL, Pyrimidine-specific ribonucleoside hydrolase RihA
Authors:Himmel, D.M, Bhosle, R, Toro, R, Hillerich, B, Gizzi, A, Garforth, S, Kar, A, Chan, M.K, Lafluer, J, Patel, H, Matikainen, B, Chamala, S, Lim, S, Celikgil, A, Villegas, G, Evans, B, Love, J, Fiser, A, Seidel, R.D, Bonanno, J.B, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2014-10-22
Release date:2014-11-12
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of a putative pyrimidine-specific ribonucleoside hydrolase (RihA) Protein from Shewanella loihica PV-4 (SHEW_0697, Target PSI-029635) with divalent cation and PEG 400 bound at the active site
To be published
1XCB
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BU of 1xcb by Molmil
X-ray Structure of a Rex-Family Repressor/NADH Complex from Thermus Aquaticus
Descriptor: CALCIUM ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Redox-sensing transcriptional repressor rex
Authors:Sickmier, E.A, Brekasis, D, Paranawithana, S, Bonanno, J.B, Burley, S.K, Paget, M.S, Kielkopf, C.L, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2004-09-01
Release date:2004-09-28
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:X-Ray Structure of a Rex-Family Repressor/NADH Complex: Insights into the Mechanism of Redox Sensing
Structure, 13, 2005

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