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3IQH
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BU of 3iqh by Molmil
Structure of O-Acetylserine Sulfhydrylase in Complex with Peptide MNYDI
Descriptor: Cysteine synthase, MNYDI, SULFATE ION
Authors:Roderick, S.L.
Deposit date:2009-08-20
Release date:2009-11-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Design of o-acetylserine sulfhydrylase inhibitors by mimicking nature.
J.Med.Chem., 53, 2010
5VR9
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BU of 5vr9 by Molmil
CH1/Ckappa Fab based on Matuzumab
Descriptor: CH1/Ckappa Fab heavy chain, CH1/Ckappa Fab light chain
Authors:Hendle, J.
Deposit date:2017-05-10
Release date:2017-08-02
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Computational design of a specific heavy chain/ kappa light chain interface for expressing fully IgG bispecific antibodies.
Protein Sci., 26, 2017
3IWR
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BU of 3iwr by Molmil
Crystal structure of class I chitinase from Oryza sativa L. japonica
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Chitinase
Authors:Kezuka, Y, Watanabe, T, Nonaka, T.
Deposit date:2009-09-03
Release date:2010-04-21
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Structure of full-length class I chitinase from rice revealed by X-ray crystallography and small-angle X-ray scattering.
Proteins, 78, 2010
4ZFU
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BU of 4zfu by Molmil
Structural studies on a non-toxic homologue of type II RIPs from Momordica charantia (bitter gourd) in complex with N-acetyl D galactosamine
Descriptor: 2-acetamido-2-deoxy-alpha-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Chandran, T, Sharma, A, Vijayan, M.
Deposit date:2015-04-21
Release date:2016-03-23
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Structural studies on a non-toxic homologue of type II RIPs from bitter gourd: Molecular basis of non-toxicity, conformational selection and glycan structure.
J.Biosci., 40, 2015
6KDJ
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BU of 6kdj by Molmil
HIV-1 reverse transcriptase with Q151M/Y115F/F116Y:DNA:lamivudine 5'-triphosphate ternary complex
Descriptor: DNA/RNA (38-MER), GLYCEROL, HIV-1 RT p51 subunit, ...
Authors:Yasutake, Y, Hattori, S.I, Tamura, N, Maeda, K.
Deposit date:2019-07-02
Release date:2020-03-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Structural features in common of HBV and HIV-1 resistance against chirally-distinct nucleoside analogues entecavir and lamivudine.
Sci Rep, 10, 2020
1AQV
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BU of 1aqv by Molmil
GLUTATHIONE S-TRANSFERASE IN COMPLEX WITH P-BROMOBENZYLGLUTATHIONE
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLUTATHIONE S-TRANSFERASE, N-[(4S)-4-ammonio-4-carboxybutanoyl]-S-(4-bromobenzyl)-L-cysteinylglycine
Authors:Prade, L, Huber, R, Manoharan, T.H, Fahl, W.E, Reuter, W.
Deposit date:1997-08-01
Release date:1997-12-24
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Structures of class pi glutathione S-transferase from human placenta in complex with substrate, transition-state analogue and inhibitor.
Structure, 5, 1997
5W4R
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BU of 5w4r by Molmil
Structure of RORgt bound to a tertiary alcohol
Descriptor: 1-{4-[(R)-(4-chloro-2-methoxy-3-{[4-(1H-pyrazol-1-yl)phenyl]methyl}quinolin-6-yl)(hydroxy)(1-methyl-1H-imidazol-5-yl)methyl]piperidin-1-yl}ethan-1-one, Nuclear receptor ROR-gamma
Authors:Spurlino, J.
Deposit date:2017-06-12
Release date:2017-12-27
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3.002 Å)
Cite:6-Substituted quinolines as ROR gamma t inverse agonists.
Bioorg. Med. Chem. Lett., 27, 2017
5VXH
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BU of 5vxh by Molmil
Crystal structure of Xanthomonas campestris OleA E117D
Descriptor: 3-oxoacyl-[ACP] synthase III, GLYCEROL, PHOSPHATE ION
Authors:Jensen, M.R, Wilmot, C.M.
Deposit date:2017-05-23
Release date:2017-10-25
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:OleA Glu117 is key to condensation of two fatty-acyl coenzyme A substrates in long-chain olefin biosynthesis.
Biochem. J., 474, 2017
3KQ0
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BU of 3kq0 by Molmil
Crystal structure of human alpha1-acid glycoprotein
Descriptor: (2R)-2,3-dihydroxypropyl acetate, Alpha-1-acid glycoprotein 1, CHLORIDE ION
Authors:Schiefner, A, Schonfeld, D.L, Ravelli, R.B.G, Mueller, U, Skerra, A.
Deposit date:2009-11-17
Release date:2010-02-02
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The 1.8-A crystal structure of alpha1-acid glycoprotein (Orosomucoid) solved by UV RIP reveals the broad drug-binding activity of this human plasma lipocalin.
J.Mol.Biol., 384, 2008
5VSK
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BU of 5vsk by Molmil
Structure of DUB complex
Descriptor: 7-chloro-3-({4-hydroxy-1-[(3S)-3-phenylbutanoyl]piperidin-4-yl}methyl)quinazolin-4(3H)-one, Ubiquitin carboxyl-terminal hydrolase 7, ZINC ION
Authors:Seo, H.-Y, Dhe-Paganon, S.
Deposit date:2017-05-11
Release date:2017-12-20
Last modified:2018-01-03
Method:X-RAY DIFFRACTION (3.33 Å)
Cite:Structure-Guided Development of a Potent and Selective Non-covalent Active-Site Inhibitor of USP7.
Cell Chem Biol, 24, 2017
2G8A
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BU of 2g8a by Molmil
Lactobacillus casei Y261M in complex with substrate, dUMP
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, thymidylate synthase
Authors:Finer-Moore, J.S, Stroud, R.M.
Deposit date:2006-03-02
Release date:2006-03-14
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The role of protein dynamics in thymidylate synthase catalysis: variants of conserved 2'-deoxyuridine 5'-monophosphate (dUMP)-binding Tyr-261
Biochemistry, 45, 2006
5VXF
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BU of 5vxf by Molmil
Crystal structure of Xanthomonas campestris OleA E117Q
Descriptor: 3-oxoacyl-[ACP] synthase III, GLYCEROL
Authors:Jensen, M.R, Wilmot, C.M.
Deposit date:2017-05-23
Release date:2017-10-25
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:OleA Glu117 is key to condensation of two fatty-acyl coenzyme A substrates in long-chain olefin biosynthesis.
Biochem. J., 474, 2017
3BS2
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BU of 3bs2 by Molmil
Crystal Structure of Monomine
Descriptor: GLYCEROL, Lipocalin
Authors:Mans, B.J, Ribeiro, J.M, Andersen, J.F.
Deposit date:2007-12-21
Release date:2008-04-01
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Structure, function, and evolution of biogenic amine-binding proteins in soft ticks.
J.Biol.Chem., 283, 2008
5T8Q
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BU of 5t8q by Molmil
Crystal structure of murine NF-kappaB inducing kinase (NIK) bound to aryl pyrrole fragment 17
Descriptor: 1-[(2-chlorophenyl)methyl]pyrrole-2-carboxamide, Mitogen-activated protein kinase kinase kinase 14, SULFATE ION
Authors:Smith, M.A, McEwan, P.A, Hymowitz, S.G.
Deposit date:2016-09-08
Release date:2017-01-11
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:Structure-Based Design of Tricyclic NF-kappa B Inducing Kinase (NIK) Inhibitors That Have High Selectivity over Phosphoinositide-3-kinase (PI3K).
J. Med. Chem., 60, 2017
3L27
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BU of 3l27 by Molmil
Crystal structure of Zaire Ebola VP35 interferon inhibitory domain R312A mutant
Descriptor: CHLORIDE ION, GLYCEROL, PHOSPHATE ION, ...
Authors:Leung, D.W, Prins, K.C, Borek, D.M, Farahbakhsh, M, Tufariello, J.M, Ramanan, P, Nix, J.C, Helgeson, L.A, Otwinowski, Z, Honzatko, R.B, Basler, C.F, Amarasinghe, G.K.
Deposit date:2009-12-14
Release date:2010-01-26
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural basis for dsRNA recognition and interferon antagonism by Ebola VP35.
Nat.Struct.Mol.Biol., 17, 2010
3L26
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BU of 3l26 by Molmil
Crystal structure of Zaire Ebola VP35 interferon inhibitory domain bound to 8 bp dsRNA
Descriptor: CHLORIDE ION, MAGNESIUM ION, Polymerase cofactor VP35, ...
Authors:Leung, D.W, Prins, K.C, Borek, D.M, Farahbakhsh, M, Tufariello, J.M, Ramanan, P, Nix, J.C, Helgeson, L.A, Otwinowski, Z, Honzatko, R.B, Basler, C.F, Amarasinghe, G.K.
Deposit date:2009-12-14
Release date:2010-01-26
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis for dsRNA recognition and interferon antagonism by Ebola VP35.
Nat.Struct.Mol.Biol., 17, 2010
1I6G
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BU of 1i6g by Molmil
NMR SOLUTION STRUCTURE OF THE INSECT-SPECIFIC NEUROTOXIN VARIANT 5 (CSE-V5) FROM THE SCORPION CENTRUROIDES SCULPTURATUS EWING
Descriptor: NEUROTOXIN V-5
Authors:Jablonsky, M.J, Jackson, P.L, Krishna, N.R.
Deposit date:2001-03-02
Release date:2001-08-01
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:Solution structure of an insect-specific neurotoxin from the New World scorpion Centruroides sculpturatus Ewing.
Biochemistry, 40, 2001
6KDK
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BU of 6kdk by Molmil
HIV-1 reverse transcriptase with Q151M/Y115F/F116Y:DNA:dCTP ternary complex
Descriptor: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, DNA/RNA (38-MER), GLYCEROL, ...
Authors:Yasutake, Y, Hattori, S.I, Tamura, N, Maeda, K.
Deposit date:2019-07-02
Release date:2020-03-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Structural features in common of HBV and HIV-1 resistance against chirally-distinct nucleoside analogues entecavir and lamivudine.
Sci Rep, 10, 2020
3L9W
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BU of 3l9w by Molmil
KefC C-terminal domain in complex with KefF and GSH
Descriptor: ADENOSINE MONOPHOSPHATE, FLAVIN MONONUCLEOTIDE, GLUTATHIONE, ...
Authors:Roosild, T.P.
Deposit date:2010-01-05
Release date:2010-11-17
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Mechanism of ligand-gated potassium efflux in bacterial pathogens.
Proc.Natl.Acad.Sci.USA, 107, 2010
5TIE
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BU of 5tie by Molmil
x-ray structure of acyl-CoA thioesterase I, TesA, mutant M141L/Y145K/L146K at pH 7.5 in complex with octanoic acid
Descriptor: Acyl-CoA thioesterase I, OCTANOIC ACID (CAPRYLIC ACID)
Authors:Thoden, J.B, Holden, H.M, Grisewood, M.J, Hernandez Lozada, N.J, Gifford, N.P, Mendez-Perez, D, Schoenberger, H.A, Allan, M.F, Pfleger, B.F, Marines, C.D.
Deposit date:2016-10-02
Release date:2017-04-26
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Computational Redesign of Acyl-ACP Thioesterase with Improved Selectivity toward Medium-Chain-Length Fatty Acids.
ACS Catal, 7, 2017
3LDY
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BU of 3ldy by Molmil
An extraordinary mechanism of DNA perturbation exhibited by the rare-cutting HNH restriction endonuclease PacI
Descriptor: CALCIUM ION, DNA (5'-D(*GP*AP*GP*GP*CP*TP*TP*A)-3'), DNA (5'-D(P*AP*TP*TP*AP*AP*GP*CP*CP*TP*C)-3'), ...
Authors:Shen, B.W, Heiter, D, Chan, S.-H, Xu, S.-Y, Wilson, G, Stoddard, B.L.
Deposit date:2010-01-13
Release date:2010-04-21
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Unusual target site disruption by the rare-cutting HNH restriction endonuclease PacI.
Structure, 18, 2010
2Q4W
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BU of 2q4w by Molmil
Ensemble refinement of the protein crystal structure of cytokinin oxidase/dehydrogenase (CKX) from Arabidopsis thaliana At5g21482
Descriptor: Cytokinin dehydrogenase 7, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Levin, E.J, Kondrashov, D.A, Wesenberg, G.E, Phillips Jr, G.N, Center for Eukaryotic Structural Genomics (CESG)
Deposit date:2007-05-31
Release date:2007-06-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of Arabidopsis thaliana cytokinin dehydrogenase.
Proteins, 70, 2008
5U92
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BU of 5u92 by Molmil
Crystal Structure of arginine kinase from the spider Polybetes pythagoricus in complex with arginine
Descriptor: ARGININE, SODIUM ION, arginine kinase
Authors:Lopez-zavala, A.A, Garcia, C.F, Paredes-Hernandez, J, Stojanoff, V, Sotelo-Mundo, R.R.
Deposit date:2016-12-15
Release date:2017-09-06
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Biochemical and structural characterization of a novel arginine kinase from the spider Polybetes pythagoricus.
PeerJ, 5, 2017
1DE7
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BU of 1de7 by Molmil
INTERACTION OF FACTOR XIII ACTIVATION PEPTIDE WITH ALPHA-THROMBIN: CRYSTAL STRUCTURE OF THE ENZYME-SUBSTRATE COMPLEX
Descriptor: ALPHA-THROMBIN (HEAVY CHAIN), ALPHA-THROMBIN (LIGHT CHAIN), FACTOR XIII ACTIVATION PEPTIDE (28-37), ...
Authors:Sadasivan, C, Yee, V.C.
Deposit date:1999-11-13
Release date:2000-12-13
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:Interaction of the factor XIII activation peptide with alpha -thrombin. Crystal structure of its enzyme-substrate analog complex.
J.Biol.Chem., 275, 2000
5TQQ
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BU of 5tqq by Molmil
Cryo-electron microscopy structure of a bovine CLC-K chloride channel, main (class 1) conformation
Descriptor: Chloride channel protein, Monoclonal antibody, Fab fragment, ...
Authors:Park, E, MacKinnon, R.
Deposit date:2016-10-24
Release date:2017-01-04
Last modified:2019-11-20
Method:ELECTRON MICROSCOPY (3.76 Å)
Cite:Structure of a CLC chloride ion channel by cryo-electron microscopy.
Nature, 541, 2017

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