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1VFB
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BU of 1vfb by Molmil
BOUND WATER MOLECULES AND CONFORMATIONAL STABILIZATION HELP MEDIATE AN ANTIGEN-ANTIBODY ASSOCIATION
Descriptor: HEN EGG WHITE LYSOZYME, IGG1-KAPPA D1.3 FV (HEAVY CHAIN), IGG1-KAPPA D1.3 FV (LIGHT CHAIN)
Authors:Bhat, T.N, Poljak, R.J.
Deposit date:1993-12-03
Release date:1994-05-31
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Bound water molecules and conformational stabilization help mediate an antigen-antibody association.
Proc.Natl.Acad.Sci.USA, 91, 1994
3V8E
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BU of 3v8e by Molmil
Crystal structure of the yeast nicotinamidase Pnc1p bound to the inhibitor nicotinaldehyde
Descriptor: MAGNESIUM ION, Nicotinamidase, ZINC ION
Authors:Hoadley, K.A, Smith, B.C, Denu, J.M, Keck, J.L.
Deposit date:2011-12-22
Release date:2012-01-25
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Structural and Kinetic Isotope Effect Studies of Nicotinamidase (Pnc1) from Saccharomyces cerevisiae.
Biochemistry, 51, 2012
4ZS6
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BU of 4zs6 by Molmil
Receptor binding domain and Fab complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, S protein, fab Heavy Chain, ...
Authors:Yu, X, Wang, X.
Deposit date:2015-05-13
Release date:2015-09-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.166 Å)
Cite:Structural basis for the neutralization of MERS-CoV by a human monoclonal antibody MERS-27
Sci Rep, 5, 2015
4ZT0
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BU of 4zt0 by Molmil
Crystal structure of catalytically-active Streptococcus pyogenes Cas9 in complex with single-guide RNA at 2.9 Angstrom resolution
Descriptor: CRISPR-associated endonuclease Cas9, single-guide RNA
Authors:Jiang, F, Doudna, J.A.
Deposit date:2015-05-14
Release date:2015-07-08
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:A Cas9-guide RNA complex preorganized for target DNA recognition.
Science, 348, 2015
4UT7
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BU of 4ut7 by Molmil
CRYSTAL STRUCTURE OF THE SCFV FRAGMENT OF THE BROADLY NEUTRALIZING HUMAN ANTIBODY EDE2 A11
Descriptor: BROADLY NEUTRALIZING HUMAN ANTIBODY EDE2 A11
Authors:Rouvinski, A, Guardado-Calvo, P, Barba-Spaeth, G, Duquerroy, S, Vaney, M.C, Rey, F.A.
Deposit date:2014-07-18
Release date:2015-01-28
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Recognition Determinants of Broadly Neutralizing Human Antibodies Against Dengue Viruses.
Nature, 520, 2015
6RGJ
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BU of 6rgj by Molmil
Photorhabdus asymbiotica lectin PHL in complex with D-glucose
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Lectin PHL, ...
Authors:Houser, J, Fujdiarova, E, Jancarikova, G, Wimmerova, M.
Deposit date:2019-04-16
Release date:2020-07-01
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Heptabladed beta-propeller lectins PLL2 and PHL from Photorhabdus spp. recognize O-methylated sugars and influence the host immune system.
Febs J., 288, 2021
5WQ6
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BU of 5wq6 by Molmil
Crystal Structure of hMNDA-PYD with MBP tag
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, MBP tagged hMNDA-PYD, ...
Authors:Jin, T.C, Xiao, T.S.
Deposit date:2016-11-23
Release date:2017-02-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.648 Å)
Cite:Design of an expression system to enhance MBP-mediated crystallization
Sci Rep, 7, 2017
3VBQ
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BU of 3vbq by Molmil
Exploitation of hydrogen bonding constraints and flat hydrophobic energy landscapes in Pim-1 kinase needle screening and inhibitor design
Descriptor: (5~{Z})-5-[[3-[6-[(4-azanylcyclohexyl)amino]pyrazin-2-yl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione, Serine/threonine-protein kinase pim-1
Authors:Liu, J.
Deposit date:2012-01-02
Release date:2012-03-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Implications of promiscuous Pim-1 kinase fragment inhibitor hydrophobic interactions for fragment-based drug design.
J.Med.Chem., 55, 2012
4V0K
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BU of 4v0k by Molmil
Crystal structure of the CrARL6DN in the GDP bound form
Descriptor: ARF-LIKE SMALL GTPASE, CADMIUM ION, GUANOSINE-5'-DIPHOSPHATE
Authors:Mourao, A, Lorentzen, E.
Deposit date:2014-09-17
Release date:2014-11-19
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.438 Å)
Cite:Structural Basis for Membrane Targeting of the Bbsome by Arl6
Nat.Struct.Mol.Biol., 21, 2014
3VIQ
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BU of 3viq by Molmil
Crystal structure of Swi5-Sfr1 complex from fission yeast
Descriptor: GLYCEROL, Mating-type switching protein swi5, NITRATE ION, ...
Authors:Kuwabara, N, Murayama, Y, Hashimoto, H, Kokabu, Y, Ikeguchi, M, Sato, M, Mayanagi, K, Tsutsui, Y, Iwasaki, H, Shimizu, T.
Deposit date:2011-10-06
Release date:2012-08-22
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Mechanistic insights into the activation of Rad51-mediated strand exchange from the structure of a recombination activator, the Swi5-Sfr1 complex
Structure, 20, 2012
4V1P
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BU of 4v1p by Molmil
BTN3 Structure
Descriptor: BUTYROPHILIN SUBFAMILY 3 MEMBER A1
Authors:James, L.C.
Deposit date:2014-09-30
Release date:2015-07-22
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Activation of Human Gammadelta T Cells by Cytosolic Interactions of Btn3A1 with Soluble Phosphoantigens and the Cytoskeletal Adaptor Periplakin.
J.Immunol., 194, 2015
3VM0
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BU of 3vm0 by Molmil
Assimilatory nitrite reductase (Nii3) - N226K mutant - NO2 complex from tobacco leaf
Descriptor: CHLORIDE ION, IRON/SULFUR CLUSTER, NITRITE ION, ...
Authors:Nakano, S, Takahashi, M, Sakamoto, A, Morikawa, H, Katayanagi, K.
Deposit date:2011-12-05
Release date:2012-09-26
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.695 Å)
Cite:X-ray crystal structure of a mutant assimilatory nitrite reductase that shows sulfite reductase-like activity
Chem.Biodivers., 9, 2012
4ZS7
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BU of 4zs7 by Molmil
Structural mimicry of receptor interaction by antagonistic IL-6 antibodies
Descriptor: Interleukin-6, Llama Fab fragment 68F2 heavy chain, Llama Fab fragment 68F2 light chain
Authors:Blanchetot, C, De Jonge, N, Desmyter, A, Ongenae, N, Hofman, E, Klarenbeek, A, Sadi, A, Hultberg, A, Kretz-Rommel, A, Spinelli, S, Loris, R, Cambillau, C, de Haard, H.
Deposit date:2015-05-13
Release date:2016-05-04
Last modified:2016-07-06
Method:X-RAY DIFFRACTION (2.93 Å)
Cite:Structural Mimicry of Receptor Interaction by Antagonistic Interleukin-6 (IL-6) Antibodies.
J.Biol.Chem., 291, 2016
5WSF
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BU of 5wsf by Molmil
Crystal structure of a cupin protein (tm1459) in osmium (Os)-substituted form II
Descriptor: OSMIUM ION, Uncharacterized protein tm1459
Authors:Fujieda, N, Nakano, T, Taniguchi, Y, Ichihashi, H, Nishikawa, Y, Kurisu, G, Itoh, S.
Deposit date:2016-12-06
Release date:2017-05-31
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.11 Å)
Cite:A Well-Defined Osmium-Cupin Complex: Hyperstable Artificial Osmium Peroxygenase
J. Am. Chem. Soc., 2017
1R5D
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BU of 1r5d by Molmil
X-ray structure of bovine seminal ribonuclease swapping dimer from a new crystal form
Descriptor: Ribonuclease, seminal
Authors:Merlino, A, Vitagliano, L, Sica, F, Zagari, A, Mazzarella, L.
Deposit date:2003-10-10
Release date:2004-04-13
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Population shift vs induced fit: The case of bovine seminal ribonuclease swapping dimer
Biopolymers, 73, 2004
4UX4
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BU of 4ux4 by Molmil
Crystal structure of human tankyrase 2 in complex with 1-methyl-7-(4- methylphenyl)-5-oxo-5,6-dihydro-1,6-naphthyridin-1-ium
Descriptor: (1S)-1-methyl-7-(4-methylphenyl)-5-oxo-1,5-dihydro-1,6-naphthyridin-1-ium, GLYCEROL, SULFATE ION, ...
Authors:Haikarainen, T, Lehtio, L.
Deposit date:2014-08-19
Release date:2015-06-10
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-Based Design, Synthesis and Evaluation in Vitro of Arylnaphthyridinones, Arylpyridopyrimidinones and Their Tetrahydro Derivatives as Inhibitors of the Tankyrases.
Bioorg.Med.Chem., 23, 2015
3VOK
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BU of 3vok by Molmil
X-ray Crystal Structure of Wild Type HrtR in the Apo Form with the Target DNA.
Descriptor: 5'-D(*AP*TP*GP*AP*CP*AP*CP*TP*GP*TP*GP*TP*CP*AP*T)-3', Transcriptional regulator
Authors:Sawai, H, Sugimoto, H, Shiro, Y, Aono, S.
Deposit date:2012-01-27
Release date:2012-07-25
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Basis for the Transcriptional Regulation of Heme Homeostasis in Lactococcus lactis.
J.Biol.Chem., 287, 2012
1MU9
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BU of 1mu9 by Molmil
Crystal Structure of a Human Tyrosyl-DNA Phosphodiesterase (Tdp1)-Vanadate Complex
Descriptor: GLYCEROL, Tyrosyl-DNA Phosphodiesterase, VANADATE ION
Authors:Davies, D.R, Interthal, H, Champoux, J.J, Hol, W.G.J.
Deposit date:2002-09-23
Release date:2003-01-07
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Insights Into Substrate Binding and Catalytic Mechanism of Human Tyrosyl-DNA Phosphodiesterase (Tdp1) from Vanadate- and Tungstate-Inhibited Structures
J.Mol.Biol., 324, 2002
6RVL
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BU of 6rvl by Molmil
Crystal structure of hCA II with Urea, N-(1,3-dihydro-1-hydroxy-2,1-benzoxaborol-6-yl)-?N'-phenyl-
Descriptor: 1-[1,1-bis(oxidanyl)-3~{H}-2,1-benzoxaborol-1-ium-6-yl]-3-phenyl-thiourea, Carbonic anhydrase 2, ZINC ION
Authors:Di Fiore, A, De Simone, G.
Deposit date:2019-05-31
Release date:2019-08-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Exploring benzoxaborole derivatives as carbonic anhydrase inhibitors: a structural and computational analysis reveals their conformational variability as a tool to increase enzyme selectivity.
J Enzyme Inhib Med Chem, 34, 2019
5A13
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BU of 5a13 by Molmil
Crystal structure of Chlorite Dismutase from Magnetospirillum sp. in complex with thiocyanate
Descriptor: CHLORITE DISMUTASE, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Correia, H.D, Santos-Silva, T.
Deposit date:2015-04-27
Release date:2015-09-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Ligand Binding to Chlorite Dismutase from Magnetospirillum Sp.
J.Phys.Chem.B, 119, 2015
3VOX
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BU of 3vox by Molmil
X-ray Crystal Structure of Wild Type HrtR in the Apo Form
Descriptor: Transcriptional regulator
Authors:Sawai, H, Sugimoto, H, Shiro, Y, Aono, S.
Deposit date:2012-02-23
Release date:2012-07-25
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural Basis for the Transcriptional Regulation of Heme Homeostasis in Lactococcus lactis.
J.Biol.Chem., 287, 2012
2BTN
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BU of 2btn by Molmil
Crystal Structure and Catalytic Mechanism of the Quorum-Quenching N- Acyl Homoserine Lactone Hydrolase
Descriptor: AIIA-LIKE PROTEIN, GLYCEROL, ZINC ION
Authors:Kim, M.H, Choi, W.C, Kang, H.O, Lee, J.S, Kang, B.S, Kim, K.J, Derewenda, Z.S, Oh, T.K, Lee, C.H, Lee, J.K.
Deposit date:2005-06-03
Release date:2005-12-07
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:The Molecular Structure and Catalytic Mechanism of a Quorum-Quenching N-Acyl-L-Homoserine Lactone Hydrolase.
Proc.Natl.Acad.Sci.USA, 102, 2005
5WTP
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BU of 5wtp by Molmil
Crystal structure of the C-terminal domain of outer membrane protein A (OmpA) from Capnocytophaga gingivalis
Descriptor: OmpA family protein, SULFATE ION
Authors:Dai, S, Tan, K, Ye, S, Zhang, R.
Deposit date:2016-12-13
Release date:2017-12-13
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structure of thrombospondin type 3 repeats in bacterial outer membrane protein A reveals its intra-repeat disulfide bond-dependent calcium-binding capability.
Cell Calcium, 66, 2017
3VPY
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BU of 3vpy by Molmil
Crystal structure of Arabidopsis DDL FHA domain
Descriptor: FHA domain-containing protein DDL
Authors:Yuan, Y.A, Machida, S.
Deposit date:2012-03-15
Release date:2013-02-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal Structure of Arabidopsis thaliana Dawdle Forkhead-Associated Domain reveals a conserved phospho-threonine recognition cleft for Dicer-like1 binding.
Mol Plant, 2013
3VQD
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BU of 3vqd by Molmil
HIV-1 IN core domain in complex with 5-methyl-3-phenyl-1,2-oxazole-4-carboxylic acid
Descriptor: 5-methyl-3-phenyl-1,2-oxazole-4-carboxylic acid, CADMIUM ION, POL polyprotein, ...
Authors:Wielens, J, Chalmers, D.K, Parker, M.W, Scanlon, M.J.
Deposit date:2012-03-21
Release date:2013-01-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Parallel screening of low molecular weight fragment libraries: do differences in methodology affect hit identification?
J Biomol Screen, 18, 2013

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