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4QLF
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BU of 4qlf by Molmil
Crystal structure of I14G DHFR mutant complexed with folate and NADP+
Descriptor: Dihydrofolate reductase, FOLIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Stojkovic, V, Gakhar, L, Kohen, A.
Deposit date:2014-06-12
Release date:2014-11-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Free energy simulations of active-site mutants of dihydrofolate reductase.
J.Phys.Chem.B, 119, 2015
4QI7
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BU of 4qi7 by Molmil
Cellobiose dehydrogenase from Neurospora crassa, NcCDH
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Cellobiose dehydrogenase, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Tan, T.C, Gandini, R, Sygmund, C, Kittl, R, Haltrich, D, Ludwig, R, Hallberg, B.M, Divne, C.
Deposit date:2014-05-30
Release date:2015-07-15
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis for cellobiose dehydrogenase action during oxidative cellulose degradation.
Nat Commun, 6, 2015
4QK9
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BU of 4qk9 by Molmil
Thermovirga lienii c-di-AMP riboswitch
Descriptor: (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, C-di-AMP riboswitch, MAGNESIUM ION
Authors:Gao, A, Serganov, A.
Deposit date:2014-06-05
Release date:2014-08-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Structural insights into recognition of c-di-AMP by the ydaO riboswitch.
Nat.Chem.Biol., 10, 2014
7KN6
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BU of 7kn6 by Molmil
Crystal structure of SARS-CoV-2 receptor binding domain complexed with nanobody VHH V and antibody Fab CC12.3
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CC12.3 Fab heavy chain, CC12.3 Fab light chain, ...
Authors:Liu, H, Yuan, M, Zhu, X, Wu, N.C, Wilson, I.A.
Deposit date:2020-11-04
Release date:2021-01-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structure-guided multivalent nanobodies block SARS-CoV-2 infection and suppress mutational escape.
Science, 371, 2021
7KN7
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BU of 7kn7 by Molmil
Crystal structure of SARS-CoV-2 receptor binding domain complexed with nanobody VHH W and antibody Fab CC12.3
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CC12.3 Fab heavy chain, CC12.3 Fab light chain, ...
Authors:Liu, H, Yuan, M, Zhu, X, Wu, N.C, Wilson, I.A.
Deposit date:2020-11-04
Release date:2021-01-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.73 Å)
Cite:Structure-guided multivalent nanobodies block SARS-CoV-2 infection and suppress mutational escape.
Science, 371, 2021
4Q7I
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BU of 4q7i by Molmil
Crystal structure of engineered thermostable D-tagatose 3-epimerase PcDTE-Var8
Descriptor: D-tagatose 3-epimerase, GLYCEROL, IMIDAZOLE, ...
Authors:Hee, C.S, Bosshart, A, Schirmer, T.
Deposit date:2014-04-25
Release date:2014-10-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Directed Divergent Evolution of a Thermostable D-Tagatose Epimerase towards Improved Activity for Two Hexose Substrates.
Chembiochem, 16, 2015
4QGI
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BU of 4qgi by Molmil
X-ray crystal structure of HIV-1 protease variant G48T/L89M in complex with Saquinavir
Descriptor: (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, GLYCEROL, Protease
Authors:Mahon, B.P, McKenna, R, Goldfarb, N.
Deposit date:2014-05-22
Release date:2014-07-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.896 Å)
Cite:Defective Hydrophobic Sliding Mechanism and Active Site Expansion in HIV-1 Protease Drug Resistant Variant Gly48Thr/Leu89Met: Mechanisms for the Loss of Saquinavir Binding Potency.
Biochemistry, 54, 2015
4QI4
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BU of 4qi4 by Molmil
Dehydrogenase domain of Myriococcum thermophilum cellobiose dehydrogenase, MtDH
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CADMIUM ION, ...
Authors:Tan, T.C, Gandini, R, Sygmund, C, Kittl, R, Haltrich, D, Ludwig, R, Hallberg, B.M, Divne, C.
Deposit date:2014-05-30
Release date:2015-07-15
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis for cellobiose dehydrogenase action during oxidative cellulose degradation.
Nat Commun, 6, 2015
4QLE
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BU of 4qle by Molmil
Crystal structure of I14A DHFR mutant complexed with folate and NADP+
Descriptor: Dihydrofolate reductase, FOLIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Stojkovic, V, Gakhar, L, Kohen, A.
Deposit date:2014-06-12
Release date:2014-11-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Free energy simulations of active-site mutants of dihydrofolate reductase.
J.Phys.Chem.B, 119, 2015
4QI5
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BU of 4qi5 by Molmil
Dehydrogenase domain of Myriococcum thermophilum cellobiose dehydrogenase with bound cellobionolactam, MtDH
Descriptor: (2R,3R,4R,5R)-4,5-dihydroxy-2-(hydroxymethyl)-6-oxopiperidin-3-yl beta-D-glucopyranoside, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CADMIUM ION, ...
Authors:Tan, T.C, Gandini, R, Sygmund, C, Kittl, R, Haltrich, D, Ludwig, R, Hallberg, B.M, Divne, C.
Deposit date:2014-05-30
Release date:2015-07-15
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis for cellobiose dehydrogenase action during oxidative cellulose degradation.
Nat Commun, 6, 2015
3FIL
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BU of 3fil by Molmil
Structural and energetic determinants for hyperstable variants of GB1 obtained from in-vitro evolution
Descriptor: CALCIUM ION, Immunoglobulin G-binding protein G
Authors:Max, K.E.A, Heinemann, U.
Deposit date:2008-12-12
Release date:2009-08-18
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (0.88 Å)
Cite:Dimer Formation of a Stabilized Gbeta1 Variant: A Structural and Energetic Analysis
J.Mol.Biol., 391, 2009
4QNP
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BU of 4qnp by Molmil
Crystal structure of the 2009 pandemic H1N1 influenza virus neuraminidase with a neutralizing antibody
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Wan, H.Q, Yang, H, Shore, D.A, Garten, R.J, Couzens, L, Gao, J, Jiang, L.L, Carney, P.J, Villanueva, J, Stevens, J, Eichelberger, M.C.
Deposit date:2014-06-18
Release date:2015-02-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural characterization of a protective epitope spanning A(H1N1)pdm09 influenza virus neuraminidase monomers.
Nat Commun, 6, 2015
4QI3
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BU of 4qi3 by Molmil
Cytochrome domain of Myriococcum thermophilum cellobiose dehydrogenase, MtCYT
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Cellobiose dehydrogenase, MAGNESIUM ION, ...
Authors:Tan, T.C, Gandini, R, Sygmund, C, Kittl, R, Haltrich, D, Ludwig, R, Hallberg, B.M, Divne, C.
Deposit date:2014-05-30
Release date:2015-07-15
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural basis for cellobiose dehydrogenase action during oxidative cellulose degradation.
Nat Commun, 6, 2015
4QI8
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BU of 4qi8 by Molmil
Lytic polysaccharide monooxygenase 9F from Neurospora crassa, NcLPMO9F
Descriptor: COPPER (II) ION, Lytic polysaccharide monooxygenase, NITRATE ION
Authors:Tan, T.C, Gandini, R, Sygmund, C, Kittl, R, Haltrich, D, Ludwig, R, Hallberg, B.M, Divne, C.
Deposit date:2014-05-30
Release date:2015-07-15
Last modified:2018-03-07
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Structural basis for cellobiose dehydrogenase action during oxidative cellulose degradation.
Nat Commun, 6, 2015
4QKA
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BU of 4qka by Molmil
c-di-AMP riboswitch from Thermoanaerobacter pseudethanolicus, iridium hexamine soak
Descriptor: (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, C-di-AMP riboswitch, IRIDIUM HEXAMMINE ION, ...
Authors:Gao, A, Serganov, A.
Deposit date:2014-06-05
Release date:2014-08-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural insights into recognition of c-di-AMP by the ydaO riboswitch.
Nat.Chem.Biol., 10, 2014
4QGY
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BU of 4qgy by Molmil
Camelid (llama) nanobody n25 (VHH) against type 6 secretion system TssM protein
Descriptor: nanobody n25, VH domain
Authors:Nguyen, V.S, Desmyter, A, Le, T.T.H, Durand, E, Kellenberger, C, Douzi, B, Spinelli, S, Cascales, E, Cambillau, C, Roussel, A.
Deposit date:2014-05-26
Release date:2015-04-08
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Inhibition of Type VI Secretion by an Anti-TssM Llama Nanobody.
Plos One, 10, 2015
4QLG
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BU of 4qlg by Molmil
Crystal structure of I14V DHFR mutant complexed with folate and NADP+
Descriptor: Dihydrofolate reductase, FOLIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Stojkovic, V, Gakhar, L, Kohen, A.
Deposit date:2014-06-12
Release date:2014-11-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Free energy simulations of active-site mutants of dihydrofolate reductase.
J.Phys.Chem.B, 119, 2015
4QLR
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BU of 4qlr by Molmil
Llama nanobody n02 raised against EAEC T6SS TssM
Descriptor: Llama nanobody n02 VH domain
Authors:Nguyen, V.S, Desmyter, A, Le, T.T.H, Durand, E, Kellenberger, C, Douzi, B, Spinelli, S, Cascales, E, Cambillau, C, Roussel, A.
Deposit date:2014-06-13
Release date:2015-04-08
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Inhibition of Type VI Secretion by an Anti-TssM Llama Nanobody.
Plos One, 10, 2015
4QI6
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BU of 4qi6 by Molmil
Cellobiose dehydrogenase from Myriococcum thermophilum, MtCDH
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Cellobiose dehydrogenase, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Tan, T.C, Gandini, R, Sygmund, C, Kittl, R, Haltrich, D, Ludwig, R, Hallberg, B.M, Divne, C.
Deposit date:2014-05-30
Release date:2015-07-15
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural basis for cellobiose dehydrogenase action during oxidative cellulose degradation.
Nat Commun, 6, 2015
1SJR
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BU of 1sjr by Molmil
NMR Structure of RRM2 from Human Polypyrimidine Tract Binding Protein Isoform 1 (PTB1)
Descriptor: Polypyrimidine tract-binding protein 1
Authors:Simpson, P.J, Monie, T.P, Szendroi, A, Davydova, N, Tyzack, J.K, Conte, M.R, Read, C.M, Cary, P.D, Svergun, D.I, Konarev, P.V, Petoukhov, M.V, Curry, S, Matthews, S.J.
Deposit date:2004-03-04
Release date:2004-09-14
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structure and RNA Interactions of the N-Terminal RRM Domains of PTB
Structure, 12, 2004
4QY6
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BU of 4qy6 by Molmil
Crystal structures of chimeric beta-lactamase cTEM-19m showing different conformations
Descriptor: Beta-lactamase TEM, Beta-lactamase PSE-4, CHLORIDE ION, ...
Authors:Park, J, Gobeil, S, Pelletier, J.N, Berghuis, A.M.
Deposit date:2014-07-23
Release date:2015-08-12
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Crystal structures of chimeric beta-lactamase cTEM-19m showing different conformations
To be Published
4R62
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BU of 4r62 by Molmil
Structure of Rad6~Ub
Descriptor: ACETATE ION, Ubiquitin-40S ribosomal protein S27a, Ubiquitin-conjugating enzyme E2 2
Authors:Kumar, P, Wolberger, C.
Deposit date:2014-08-22
Release date:2015-09-02
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Role of a non-canonical surface of Rad6 in ubiquitin conjugating activity.
Nucleic Acids Res., 43, 2015
4R4R
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BU of 4r4r by Molmil
Crystal structure of chimeric beta-lactamase cTEM-19m at 1.2 angstrom resolution
Descriptor: Beta-lactamase TEM,Beta-lactamase PSE-4, CHLORIDE ION, MAGNESIUM ION
Authors:Park, J, Gobeil, S, Pelletier, J.N, Berghuis, A.M.
Deposit date:2014-08-19
Release date:2015-11-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:The Structural Dynamics of Engineered beta-Lactamases Vary Broadly on Three Timescales yet Sustain Native Function.
Sci Rep, 9, 2019
4RG4
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BU of 4rg4 by Molmil
Epsilon-caprolactone-bound crystal structure of cyclohexanone monooxygenase in the Loose conformation
Descriptor: Caprolactone, Cyclohexanone monooxygenase, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Yachnin, B.J, Berghuis, A.M.
Deposit date:2014-09-29
Release date:2014-10-15
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Lactone-bound structures of cyclohexanone monooxygenase provide insight into the stereochemistry of catalysis.
Acs Chem.Biol., 9, 2014
7L7R
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BU of 7l7r by Molmil
CCHFV Gc prefusion monomer bound to ADI-36121 and ADI-37801 Fabs
Descriptor: ADI-36121 Fab heavy chain, ADI-36121 Fab light chain, ADI-37801 Fab heavy chain, ...
Authors:Mishra, A.K, McLellan, J.S.
Deposit date:2020-12-30
Release date:2021-12-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis of synergistic neutralization of Crimean-Congo hemorrhagic fever virus by human antibodies.
Science, 375, 2022

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數據於2024-07-17公開中

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