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4YXU
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BU of 4yxu by Molmil
Human Carbonic Anhydrase II complexed with an inhibitor with a benzenesulfonamide group (4).
Descriptor: 4-propylbenzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Rechlin, C, Heine, A, Klebe, G.
Deposit date:2015-03-23
Release date:2016-02-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.08 Å)
Cite:Kinetic and Structural Insights into the Mechanism of Binding of Sulfonamides to Human Carbonic Anhydrase by Computational and Experimental Studies.
J.Med.Chem., 59, 2016
5LIW
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BU of 5liw by Molmil
Crystal structure of human AKR1B10 complexed with NADP+ and the inhibitor MK319
Descriptor: 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Fanfrlik, J, Kamlar, M, Vesely, J, Hobza, P, Podjarny, A.
Deposit date:2016-07-15
Release date:2016-07-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:IDD388 Polyhalogenated Derivatives as Probes for an Improved Structure-Based Selectivity of AKR1B10 Inhibitors.
Acs Chem.Biol., 11, 2016
5AYJ
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BU of 5ayj by Molmil
Hyperthermostable mutant of Bacillus sp. TB-90 Urate Oxidase - R298C
Descriptor: 9-METHYL URIC ACID, HEXAETHYLENE GLYCOL, SULFATE ION, ...
Authors:Hibi, T, Kume, A, Kawamura, A, Itoh, T, Nishiya, Y.
Deposit date:2015-08-21
Release date:2016-01-20
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Hyperstabilization of Tetrameric Bacillus sp. TB-90 Urate Oxidase by Introducing Disulfide Bonds through Structural Plasticity
Biochemistry, 55, 2016
7C25
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BU of 7c25 by Molmil
Glycosidase Wild Type at pH8.0
Descriptor: AMMONIUM ION, CITRIC ACID, GLYCEROL, ...
Authors:Tagami, T, Kikuchi, A, Okuyama, M, Kimura, A.
Deposit date:2020-05-07
Release date:2021-05-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.505 Å)
Cite:Structural insights reveal the second base catalyst of isomaltose glucohydrolase.
Febs J., 289, 2022
7OP0
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BU of 7op0 by Molmil
Crystal structure of complement C5 in complex with chemically synthesized K92 knob domain.
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Complement C5 alpha chain, ...
Authors:Macpherson, A, van der Elsen, J.M.H, Schulze, M.E, Birtley, J.R.
Deposit date:2021-05-28
Release date:2022-04-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:The Chemical Synthesis of Knob Domain Antibody Fragments.
Acs Chem.Biol., 16, 2021
7C24
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BU of 7c24 by Molmil
Glycosidase F290Y at pH8.0
Descriptor: AMMONIUM ION, GLYCEROL, Isomaltose glucohydrolase
Authors:Tagami, T, Kikuchi, A, Okuyama, M, Kimura, A.
Deposit date:2020-05-07
Release date:2021-05-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Structural insights reveal the second base catalyst of isomaltose glucohydrolase.
Febs J., 289, 2022
5JPX
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BU of 5jpx by Molmil
Solution structure of the TRIM21 B-box2 (B2)
Descriptor: E3 ubiquitin-protein ligase TRIM21, ZINC ION
Authors:Wallenhammar, A, Anandapadamanaban, M, Sunnerhagen, M.
Deposit date:2016-05-04
Release date:2017-08-09
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Solution NMR structure of the TRIM21 B-box2 and identification of residues involved in its interaction with the RING domain.
PLoS ONE, 12, 2017
8ANT
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BU of 8ant by Molmil
Crystal structure of 6xhis-tagged phi3T_93 protein
Descriptor: YopN, Phi3T_93
Authors:Zamora-Caballero, S, Marina, A.
Deposit date:2022-08-05
Release date:2023-10-25
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Antagonistic interactions between phage and host factors control arbitrium lysis-lysogeny decision.
Nat Microbiol, 9, 2024
7C26
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BU of 7c26 by Molmil
Glycosidase Wild Type at pH4.5
Descriptor: AMMONIUM ION, CITRIC ACID, GLYCEROL, ...
Authors:Tagami, T, Kikuchi, A, Okuyama, M, Kimura, A.
Deposit date:2020-05-07
Release date:2021-05-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.803 Å)
Cite:Structural insights reveal the second base catalyst of isomaltose glucohydrolase.
Febs J., 289, 2022
8ANU
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BU of 8anu by Molmil
Crystal structure of protein phi3T-93
Descriptor: NICKEL (II) ION, YopN. Phi3T_93
Authors:Zamora-Caballero, S, Marina, A.
Deposit date:2022-08-05
Release date:2023-10-25
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.310147 Å)
Cite:Antagonistic interactions between phage and host factors control arbitrium lysis-lysogeny decision.
Nat Microbiol, 9, 2024
1I3G
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BU of 1i3g by Molmil
CRYSTAL STRUCTURE OF AN AMPICILLIN SINGLE CHAIN FV, FORM 1, FREE
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ANTIBODY FV FRAGMENT
Authors:Jung, S, Spinelli, S, Schimmele, B, Honegger, A, Pugliese, L, Cambillau, C, Pluckthun, A.
Deposit date:2001-02-15
Release date:2001-10-17
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Selection, characterization and x-ray structure of anti-ampicillin single-chain Fv fragments from phage-displayed murine antibody libraries.
J.Mol.Biol., 309, 2001
8ANV
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BU of 8anv by Molmil
Crystal structure of phi3T_93 and phi3T AimX complex
Descriptor: Arbitrium putative lysogeny regulator, CALCIUM ION, NICKEL (II) ION, ...
Authors:Zamora-Caballero, S, Marina, A.
Deposit date:2022-08-05
Release date:2023-10-25
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Antagonistic interactions between phage and host factors control arbitrium lysis-lysogeny decision.
Nat Microbiol, 9, 2024
3OP8
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BU of 3op8 by Molmil
Crystal structure of the domain V from beta2-glycoprotein I
Descriptor: Beta-2-glycoprotein 1, SULFATE ION
Authors:Kolyada, A, Lee, C.-J, De Biasio, A, Beglova, N.
Deposit date:2010-08-31
Release date:2011-01-05
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A Novel Dimeric Inhibitor Targeting Beta2GPI in Beta2GPI/Antibody Complexes Implicated in Antiphospholipid Syndrome.
Plos One, 5, 2010
7BBM
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BU of 7bbm by Molmil
Mutant nitrobindin M75L/H76L/Q96C/M148L (NB4H) from Arabidopsis thaliana with cofactor MnPPIX
Descriptor: 1,2-ETHANEDIOL, MANGANESE PROTOPORPHYRIN IX, UPF0678 fatty acid-binding protein-like protein At1g79260
Authors:Minges, A, Sauer, D.F, Wittwer, M, Markel, U, Spiertz, M, Schiffels, J, Davari, M.D, Okuda, J, Schwaneberg, U, Groth, G.
Deposit date:2020-12-18
Release date:2021-05-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.14 Å)
Cite:Chemogenetic engineering of nitrobindin toward an artificial epoxygenase
Catalysis Science And Technology, 2021
4LAX
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BU of 4lax by Molmil
Crystal Structure Analysis of FKBP52, Complex with FK506
Descriptor: 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Bracher, A, Kozany, C, Haehle, A, Wild, P, Zacharias, M, Hausch, F.
Deposit date:2013-06-20
Release date:2013-08-21
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.007 Å)
Cite:Crystal Structures of the Free and Ligand-Bound FK1-FK2 Domain Segment of FKBP52 Reveal a Flexible Inter-Domain Hinge.
J.Mol.Biol., 425, 2013
7P9B
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BU of 7p9b by Molmil
Providencia stuartii Arginine decarboxylase (Adc), decamer structure
Descriptor: Biodegradative arginine decarboxylase
Authors:Jessop, M, Desfosses, A, Bacia-Verloop, M, Gutsche, I.
Deposit date:2021-07-26
Release date:2022-04-20
Method:ELECTRON MICROSCOPY (2.45 Å)
Cite:Structural and biochemical characterisation of the Providencia stuartii arginine decarboxylase shows distinct polymerisation and regulation.
Commun Biol, 5, 2022
7C27
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BU of 7c27 by Molmil
Glycosidase F290Y at pH4.5
Descriptor: AMMONIUM ION, CITRIC ACID, GLYCEROL, ...
Authors:Tagami, T, Kikuchi, A, Okuyama, M, Kimura, A.
Deposit date:2020-05-07
Release date:2021-05-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Structural insights reveal the second base catalyst of isomaltose glucohydrolase.
Febs J., 289, 2022
5M2Y
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BU of 5m2y by Molmil
Structure of TssK C-terminal domain from E. coli T6SS
Descriptor: TssK C
Authors:Cambillau, C, Nguyen, V.S, Spinelli, S, Desmyter, A, Legrand, P.
Deposit date:2016-10-13
Release date:2017-06-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Type VI secretion TssK baseplate protein exhibits structural similarity with phage receptor-binding proteins and evolved to bind the membrane complex.
Nat Microbiol, 2, 2017
7P2C
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BU of 7p2c by Molmil
F(M197)H mutant structure of Photosynthetic Reaction Center From Rhodobacter Sphaeroides strain RV by fixed-target serial synchrotron crystallography (room temperature, 26keV)
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2R)-2-hydroxy-3-(phosphonooxy)propyl (9E)-octadec-9-enoate, 1,2-ETHANEDIOL, ...
Authors:Gabdulkhakov, A.G, Selikhanov, G.K, Guenther, S, Meents, A, Fufina, T.Y, Vasilieva, L.G.
Deposit date:2021-07-05
Release date:2022-04-27
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:X-ray structure of the Rhodobacter sphaeroides reaction center with an M197 Phe→His substitution clarifies the properties of the mutant complex.
Iucrj, 9, 2022
4ETA
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BU of 4eta by Molmil
Lysozyme, room temperature, 400 kGy dose
Descriptor: CHLORIDE ION, Lysozyme C
Authors:Boutet, S, Lomb, L, Williams, G, Barends, T, Aquila, A, Doak, R.B, Weierstall, U, DePonte, D, Steinbrener, J, Shoeman, R, Messerschmidt, M, Barty, A, White, T, Kassemeyer, S, Kirian, R, Seibert, M, Montanez, P, Kenney, C, Herbst, R, Hart, P, Pines, J, Haller, G, Gruner, S, Philllip, H, Tate, M, Hromalik, M, Koerner, L, van Bakel, N, Morse, J, Ghonsalves, W, Arnlund, D, Bogan, M, Calemann, C, Fromme, R, Hampton, C, Hunter, M, Johansson, L, Katona, G, Kupitz, C, Liang, M, Martin, A, Nass, K, Redecke, L, Stellato, F, Timneanu, N, Wang, D, Zatsepin, N, Schafer, D, Defever, K, Neutze, R, Fromme, P, Spence, J, Chapman, H, Schlichting, I.
Deposit date:2012-04-24
Release date:2012-06-13
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:High-resolution protein structure determination by serial femtosecond crystallography.
Science, 337, 2012
3OO7
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BU of 3oo7 by Molmil
Crystal structures and biochemical characterization of the bacterial solute receptor AcbH reveal an unprecedented exclusive substrate preference for b-D-galactopyranose
Descriptor: ABC transporter binding protein AcbH, GLYCEROL, SULFATE ION
Authors:Vahedi-Faridi, A, Bulut, H, Licht, A.
Deposit date:2010-08-30
Release date:2010-12-29
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structures of the bacterial solute receptor AcbH displaying an exclusive substrate preference for beta-D-galactopyranose
J.Mol.Biol., 406, 2011
3OOW
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BU of 3oow by Molmil
Octameric structure of the phosphoribosylaminoimidazole carboxylase catalytic subunit from Francisella tularensis subsp. tularensis SCHU S4.
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, FORMIC ACID, ...
Authors:Filippova, E.V, Wawrzak, Z, Kudritska, M, Edwards, A, Savchenko, A, Anderson, F.W, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2010-08-31
Release date:2010-09-15
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Octameric structure of the phosphoribosylaminoimidazole carboxylase catalytic subunit from Francisella tularensis subsp. tularensis SCHU S4.
To be Published
8Q68
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BU of 8q68 by Molmil
Crystal structure of TEAD1-YBD in complex with irreversible compound SWTX-143
Descriptor: Transcriptional enhancer factor TEF-1, ~{N}-[(3~{S})-5-azanyl-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2~{H}-quinolin-3-yl]propanamide
Authors:Ciesielski, F, Spieser, S.A.H, Marchand, A, Gwaltney, S.L.
Deposit date:2023-08-11
Release date:2023-10-04
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:A Novel Irreversible TEAD Inhibitor, SWTX-143, Blocks Hippo Pathway Transcriptional Output and Causes Tumor Regression in Preclinical Mesothelioma Models.
Mol.Cancer Ther., 23, 2024
3OXP
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BU of 3oxp by Molmil
Structure of phosphotransferase enzyme II, A component from Yersinia pestis CO92 at 1.2 A resolution
Descriptor: GLYCEROL, Phosphotransferase enzyme II, A component, ...
Authors:Filippova, E.V, Wawrzak, Z, Kudritska, M, Edwards, A, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2010-09-21
Release date:2010-10-13
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Structure of phosphotransferase enzyme II, A component from Yersinia pestis CO92 at 1.2 A resolution
To be Published
5DNA
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BU of 5dna by Molmil
Crystal structure of Candida boidinii formate dehydrogenase
Descriptor: FORMATE DEHYDROGENASE, SULFATE ION
Authors:Guo, Q, Gakhar, L, Wichersham, K, Francis, K, Vardi-Kilshtain, A, Major, D.T, Cheatum, C.M, Kohen, A.
Deposit date:2015-09-09
Release date:2016-05-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural and Kinetic Studies of Formate Dehydrogenase from Candida boidinii.
Biochemistry, 55, 2016

223790

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