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PDB: 2998 results

6VLM
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BU of 6vlm by Molmil
Core Catalytic Domain of HIV Integrase in complex with virtual screening hit
Descriptor: Integrase, [3-(4-chlorophenyl)[1,3]thiazolo[3,2-a]benzimidazol-2-yl]acetic acid
Authors:Klein, D.J, Sanders, J.M.
Deposit date:2020-01-24
Release date:2020-05-13
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Augmenting Hit Identification by Virtual Screening Techniques in Small Molecule Drug Discovery.
J.Chem.Inf.Model., 60, 2020
3LQJ
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BU of 3lqj by Molmil
Crystal structure of MLL1 PHD3-Bromo complexed with H3(1-9)K4me3 peptide
Descriptor: Histone H3, MLL1 PHD3-Bromo, ZINC ION
Authors:Wang, Z, Patel, D.J.
Deposit date:2010-02-09
Release date:2010-07-07
Last modified:2017-07-26
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Pro isomerization in MLL1 PHD3-bromo cassette connects H3K4me readout to CyP33 and HDAC-mediated repression.
Cell(Cambridge,Mass.), 141, 2010
3L6H
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BU of 3l6h by Molmil
Crystal structure of lactococcal OpuAC in its closed-liganded conformation complexed with glycine betaine
Descriptor: Betaine ABC transporter permease and substrate binding protein, CHLORIDE ION, TRIMETHYL GLYCINE
Authors:Berntsson, R.P.A, Wolters, J.C, Gul, N, Karasawa, A, Thunnissen, A.M.W.H, Slotboom, D.J, Poolman, B.
Deposit date:2009-12-23
Release date:2010-05-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Ligand binding and crystal structures of the substrate-binding domain of the ABC transporter OpuA.
Plos One, 5, 2010
1KAL
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BU of 1kal by Molmil
ELUCIDATION OF THE PRIMARY AND THREE-DIMENSIONAL STRUCTURE OF THE UTEROTONIC POLYPEPTIDE KALATA B1
Descriptor: KALATA B1
Authors:Craik, D.J, Norman, D.G.
Deposit date:1995-01-13
Release date:1995-03-31
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:Elucidation of the primary and three-dimensional structure of the uterotonic polypeptide kalata B1.
Biochemistry, 34, 1995
3LQI
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BU of 3lqi by Molmil
Crystal structure of MLL1 PHD3-Bromo complexed with H3(1-9)K4me2 peptide
Descriptor: Histone H3, MLL1 PHD3-Bromo, ZINC ION
Authors:Wang, Z, Patel, D.J.
Deposit date:2010-02-09
Release date:2010-07-07
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Pro isomerization in MLL1 PHD3-bromo cassette connects H3K4me readout to CyP33 and HDAC-mediated repression.
Cell(Cambridge,Mass.), 141, 2010
5U30
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BU of 5u30 by Molmil
Crystal structure of AacC2c1-sgRNA-extended target DNA ternary complex
Descriptor: CRISPR-associated endonuclease C2c1, Non-target DNA strand, SULFATE ION, ...
Authors:Yang, H, Gao, P, Rajashankar, K.R, Patel, D.J.
Deposit date:2016-12-01
Release date:2017-01-25
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (2.92 Å)
Cite:PAM-Dependent Target DNA Recognition and Cleavage by C2c1 CRISPR-Cas Endonuclease.
Cell, 167, 2016
3LK1
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BU of 3lk1 by Molmil
X-ray structure of bovine SC0322,Ca(2+)-S100B
Descriptor: 2-sulfanylbenzoic acid, CALCIUM ION, ETHYL MERCURY ION, ...
Authors:Charpentier, T.H, Weber, D.J, Wilder, P.W.
Deposit date:2010-01-26
Release date:2010-12-29
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:In vitro screening and structural characterization of inhibitors of the S100B-p53 interaction.
Int J High Throughput Screen, 2010, 2010
5BSA
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BU of 5bsa by Molmil
Structure of histone H3/H4 in complex with Spt2
Descriptor: Histone H3.2, Histone H4, Protein SPT2 homolog
Authors:Chen, S, Patel, D.J.
Deposit date:2015-06-01
Release date:2015-07-08
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (4.611 Å)
Cite:Structure-function studies of histone H3/H4 tetramer maintenance during transcription by chaperone Spt2.
Genes Dev., 29, 2015
3LMY
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BU of 3lmy by Molmil
The Crystal Structure of beta-hexosaminidase B in complex with Pyrimethamine
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Bateman, K.S, Cherney, M.M, Withers, S.G, Mahuran, D.J, Tropak, M, James, M.N.G.
Deposit date:2010-02-01
Release date:2011-02-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The Crystal Structure of beta-hexosaminidase B in complex with Pyrimethamine
To be Published
6VRF
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BU of 6vrf by Molmil
ADP bound TTBK2 kinase domain
Descriptor: ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ...
Authors:Chodaparambil, J.V, Marcotte, D.J.
Deposit date:2020-02-07
Release date:2020-06-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Mechanisms of Regulation and Diverse Activities of Tau-Tubulin Kinase (TTBK) Isoforms.
Cell Mol Neurobiol, 41, 2021
4AK5
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BU of 4ak5 by Molmil
Native crystal structure of BpGH117
Descriptor: 1,2-ETHANEDIOL, ANHYDRO-ALPHA-L-GALACTOSIDASE, CHLORIDE ION, ...
Authors:Hehemann, J.H, Smyth, L, Yadav, A, Vocadlo, D.J, Boraston, A.B.
Deposit date:2012-02-21
Release date:2012-03-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Analysis of Keystone Enzyme in Agar Hydrolysis Provides Insight Into the Degradation (of a Polysaccharide from) Red Seaweeds.
J.Biol.Chem., 287, 2012
4AK6
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BU of 4ak6 by Molmil
BpGH117_H302E mutant glycoside hydrolase
Descriptor: ANHYDRO-ALPHA-L-GALACTOSIDASE, MAGNESIUM ION
Authors:Hehemann, J.H, Smyth, L, Yadav, A, Vocadlo, D.J, Boraston, A.B.
Deposit date:2012-02-21
Release date:2012-03-21
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Analysis of Keystone Enzyme in Agar Hydrolysis Provides Insight Into the Degradation (of a Polysaccharide from) Red Seaweeds.
J.Biol.Chem., 287, 2012
6VRC
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BU of 6vrc by Molmil
Cryo-EM structure of Cas13(crRNA)
Descriptor: CRISPR-associated endoribonuclease Cas13a, RNA (51-MER)
Authors:Jia, N, Meeske, A.J, Marraffini, L.A, Patel, D.J.
Deposit date:2020-02-07
Release date:2020-06-10
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:A phage-encoded anti-CRISPR enables complete evasion of type VI-A CRISPR-Cas immunity.
Science, 369, 2020
6VY8
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BU of 6vy8 by Molmil
NMR solution structure of a triazole bridged trypsin inhibitor based on the framework of SFTI-1
Descriptor: Trypsin inhibitor GLY-ARG-RVJ-THR-LYS-SER-ILE-PRO-PRO-ILE-2AG-PHE-PRO-ASP
Authors:White, A.M, Harvey, P.J, Durek, T, Craik, D.J.
Deposit date:2020-02-25
Release date:2020-07-01
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:Application and Structural Analysis of Triazole-Bridged Disulfide Mimetics in Cyclic Peptides.
Angew.Chem.Int.Ed.Engl., 2020
3N1Q
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BU of 3n1q by Molmil
Crystal Structure of DhhN bound to CDOFn3
Descriptor: CALCIUM ION, Cell adhesion molecule-related/down-regulated by oncogenes, Desert hedgehog protein, ...
Authors:Kavran, J.M, Leahy, D.J.
Deposit date:2010-05-16
Release date:2010-06-02
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:All mammalian Hedgehog proteins interact with cell adhesion molecule, down-regulated by oncogenes (CDO) and brother of CDO (BOC) in a conserved manner.
J.Biol.Chem., 285, 2010
1MQN
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BU of 1mqn by Molmil
BHA/LSTc
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, ...
Authors:ha, y, stevens, d.j, skehel, j.j, wiley, d.c.
Deposit date:2002-09-16
Release date:2003-08-26
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:X-ray structure of the hemagglutinin of a potential H3 avian progenitor of the 1968 Hong Kong pandemic influenza virus.
Virology, 309, 2003
1MQL
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BU of 1mql by Molmil
BHA of Ukr/63
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, ...
Authors:ha, y, stevens, d.j, skehel, j.j, wiley, d.c.
Deposit date:2002-09-16
Release date:2003-08-26
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:X-ray structure of the hemagglutinin of a potential H3 avian progenitor of the 1968 Hong Kong pandemic influenza virus.
Virology, 309, 2003
3N1F
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BU of 3n1f by Molmil
Crystal Structure of IhhN bound to CDOFn3
Descriptor: CALCIUM ION, Cell adhesion molecule-related/down-regulated by oncogenes, Indian hedgehog protein, ...
Authors:Kavran, J.M, Leahy, D.J.
Deposit date:2010-05-15
Release date:2010-06-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:All mammalian Hedgehog proteins interact with cell adhesion molecule, down-regulated by oncogenes (CDO) and brother of CDO (BOC) in a conserved manner.
J.Biol.Chem., 285, 2010
3N1M
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BU of 3n1m by Molmil
Crystal Structure of IhhN bound to BOCFn3
Descriptor: Brother of CDO, CALCIUM ION, Indian hedgehog protein, ...
Authors:Kavran, J.M, Leahy, D.J.
Deposit date:2010-05-15
Release date:2010-06-02
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:All mammalian Hedgehog proteins interact with cell adhesion molecule, down-regulated by oncogenes (CDO) and brother of CDO (BOC) in a conserved manner.
J.Biol.Chem., 285, 2010
4CXQ
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BU of 4cxq by Molmil
Mycobaterium tuberculosis transaminase BioA complexed with substrate KAPA
Descriptor: 1,2-ETHANEDIOL, 7-KETO-8-AMINOPELARGONIC ACID, ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE, ...
Authors:Dai, R, Wilson, D.J, Geders, T.W, Aldrich, C.C, Finzel, B.C.
Deposit date:2014-04-08
Release date:2014-04-23
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Inhibition of Mycobacterium Tuberculosis Transaminase Bioa by Aryl Hydrazines and Hydrazides.
Chembiochem, 15, 2014
5U33
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BU of 5u33 by Molmil
Crystal structure of AacC2c1-sgRNA-extended non-target DNA ternary complex
Descriptor: CRISPR-associated endonuclease C2c1, Non-target DNA strand, SULFATE ION, ...
Authors:Yang, H, Gao, P, Rajashankar, K.R, Patel, D.J.
Deposit date:2016-12-01
Release date:2017-01-25
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.75 Å)
Cite:PAM-Dependent Target DNA Recognition and Cleavage by C2c1 CRISPR-Cas Endonuclease.
Cell, 167, 2016
6VN5
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BU of 6vn5 by Molmil
USP7 IN COMPLEX WITH LIGAND COMPOUND 7
Descriptor: Ubiquitin carboxyl-terminal hydrolase 7, [(2R)-7-(2-aminopyridin-4-yl)-5-chloro-2,3-dihydro-1-benzofuran-2-yl](piperazin-1-yl)methanone
Authors:Leger, P.R, Wustrow, D.J, Hu, D.X, Krapp, S, Maskos, K, Blaesse, M.
Deposit date:2020-01-29
Release date:2020-04-29
Last modified:2020-06-10
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Discovery of Potent, Selective, and Orally Bioavailable Inhibitors of USP7 with In Vivo Antitumor Activity.
J.Med.Chem., 63, 2020
3MYO
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BU of 3myo by Molmil
Crystal structure of tagatose-1,6-bisphosphate aldolase from Streptococcus pyogenes
Descriptor: Tagatose 1,6-diphosphate aldolase 1
Authors:Lee, S.J, Kim, H.S, Kim, D.J, Yoon, H.J, Kim, K.H, Yoon, J.Y, Suh, S.W.
Deposit date:2010-05-10
Release date:2011-01-26
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structures of LacD from Staphylococcus aureus and LacD.1 from Streptococcus pyogenes: Insights into substrate specificity and virulence gene regulation
Febs Lett., 585, 2011
4CZ2
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BU of 4cz2 by Molmil
Complex of human VARP-ANKRD1 with Rab32-GppCp. Selenomet derivative.
Descriptor: ANKYRIN REPEAT DOMAIN-CONTAINING PROTEIN 27, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER, ...
Authors:Perez-Dorado, I, Schaefer, I.B, McCoy, A.J, Owen, D.J, Evans, P.R.
Deposit date:2014-04-16
Release date:2014-06-04
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.97 Å)
Cite:Varp is Recruited on to Endosomes by Direct Interaction with Retromer, Where Together They Function in Export to the Cell Surface.
Dev.Cell, 29, 2014
4CTG
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BU of 4ctg by Molmil
The limits of structural plasticity in a picornavirus capsid revealed by a massively expanded equine rhinitis A virus particle
Descriptor: P1
Authors:Bakker, S.E, Groppelli, E, Pearson, A.R, Stockley, P.G, Rowlands, D.J, Ranson, N.A.
Deposit date:2014-03-13
Release date:2014-05-21
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (17 Å)
Cite:Limits of Structural Plasticity in a Picornavirus Capsid Revealed by a Massively Expanded Equine Rhinitis a Virus Particle.
J.Virol., 88, 2014

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