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5TS1
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BU of 5ts1 by Molmil
Crystal structure of MHC-I H2-KD complexed with peptides of Mycobacterial tuberculosis (YYQSGLSIV)
Descriptor: 1,2-ETHANEDIOL, Beta-2-microglobulin, GLYCEROL, ...
Authors:Jiang, J, Natarajan, K, Margulies, D.
Deposit date:2016-10-27
Release date:2018-05-09
Last modified:2020-02-05
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:MHC-restricted Ag85B-specific CD8+T cells are enhanced by recombinant BCG prime and DNA boost immunization in mice.
Eur.J.Immunol., 2019
1ZWD
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BU of 1zwd by Molmil
STRUCTURE OF HUMAN PARATHYROID HORMONE FRAGMENT 3-37, NMR, 10 STRUCTURES
Descriptor: PARATHYROID HORMONE
Authors:Roesch, P, Marx, U.C.
Deposit date:1996-06-17
Release date:1997-03-12
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structure-activity relation of NH2-terminal human parathyroid hormone fragments.
J.Biol.Chem., 273, 1998
2D09
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BU of 2d09 by Molmil
A Role for Active Site Water Molecules and Hydroxyl Groups of Substrate for Oxygen Activation in Cytochrome P450 158A2
Descriptor: FLAVIOLIN, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Zhao, B, Waterman, M.R.
Deposit date:2005-07-30
Release date:2005-10-25
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Role of active site water molecules and substrate hydroxyl groups in oxygen activation by cytochrome P450 158A2: a new mechanism of proton transfer
J.Biol.Chem., 280, 2005
5TSD
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BU of 5tsd by Molmil
Crystal structure of NADPH-dependent 2-hydroxyacid dehydrogenase from Rhizobium etli CFN 42 in complex with NADPH and oxalate
Descriptor: NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, OXALIC ACID, Probable hydroxyacid dehydrogenase protein
Authors:Matelska, D, Shabalin, I.G, Kutner, J, Handing, K.B, Gasiorowska, O.A, Cooper, D.R, Minor, W, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2016-10-28
Release date:2016-11-16
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of NADPH-dependent 2-hydroxyacid dehydrogenase from Rhizobium etli CFN 42 in complex with NADPH and oxalate
to be published
5TWR
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BU of 5twr by Molmil
Pre-catalytic ternary complex of human Polymerase Mu (H329A) mutant with incoming nonhydrolyzable UMPNPP
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]uridine, ...
Authors:Moon, A.F, Pryor, J.M, Ramsden, D.A, Kunkel, T.A, Bebenek, K, Pedersen, L.C.
Deposit date:2016-11-14
Release date:2017-07-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural accommodation of ribonucleotide incorporation by the DNA repair enzyme polymerase Mu.
Nucleic Acids Res., 45, 2017
5TXV
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BU of 5txv by Molmil
HslU P21 cell with 4 hexamers
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATP-dependent protease ATPase subunit HslU
Authors:Grant, R.A, Chen, J, Glynn, S.E, Sauer, R.T.
Deposit date:2016-11-17
Release date:2017-03-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (7.086 Å)
Cite:Covalently linked HslU hexamers support a probabilistic mechanism that links ATP hydrolysis to protein unfolding and translocation.
J. Biol. Chem., 292, 2017
1ZS8
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BU of 1zs8 by Molmil
Crystal Structure of the Murine MHC Class Ib Molecule M10.5
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, histocompatibility 2, ...
Authors:Olson, R, Huey-Tubman, K.E, Dulac, C, Bjorkman, P.J.
Deposit date:2005-07-22
Release date:2005-07-26
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure of a pheromone receptor-associated MHC molecule with an open and empty groove.
Plos Biol., 3, 2005
5U1T
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BU of 5u1t by Molmil
Crystal structure of the Saccharomyces cerevisiae separase-securin complex at 2.6 angstrom resolution
Descriptor: Securin, Separin
Authors:Luo, S, Tong, L.
Deposit date:2016-11-29
Release date:2017-02-08
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Molecular mechanism for the regulation of yeast separase by securin.
Nature, 542, 2017
3X05
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BU of 3x05 by Molmil
Crystal structure of PIP4KIIBETA T201M complex with AMP
Descriptor: ADENOSINE MONOPHOSPHATE, Phosphatidylinositol 5-phosphate 4-kinase type-2 beta
Authors:Takeuchi, K, Lo, Y.H, Sumita, K, Senda, M, Terakawa, J, Dimitoris, A, Locasale, J.W, Sasaki, M, Yoshino, H, Zhang, Y, Kahoud, E.R, Takano, T, Yokota, T, Emerling, B, Asara, J.A, Ishida, T, Shimada, I, Daikoku, T, Cantley, L.C, Senda, T, Sasaki, A.T.
Deposit date:2014-10-09
Release date:2015-10-14
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The Lipid Kinase PI5P4K beta Is an Intracellular GTP Sensor for Metabolism and Tumorigenesis
Mol.Cell, 61, 2016
5U27
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BU of 5u27 by Molmil
Crystal Structure of Mycobacterium tuberculosis Dihydrofolate Reductase Bound to NADP and p65 Inhibitor
Descriptor: 1,2-ETHANEDIOL, 2,4-diamino-6-methyl-5-[3-(2,4,5-trichlorophenoxy)propyloxy]pyrimidine, Dihydrofolate reductase, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2016-11-29
Release date:2016-12-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal Structure of Mycobacterium tuberculosis Dihydrofolate Reductase Bound to NADP and p65 Inhibitor
TO BE PUBLISHED
3X06
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BU of 3x06 by Molmil
Crystal structure of PIP4KIIBETA T201M complex with GMP
Descriptor: GUANOSINE-5'-MONOPHOSPHATE, Phosphatidylinositol 5-phosphate 4-kinase type-2 beta
Authors:Takeuchi, K, Lo, Y.H, Sumita, K, Senda, M, Terakawa, J, Dimitoris, A, Locasale, J.W, Sasaki, M, Yoshino, H, Zhang, Y, Kahoud, E.R, Takano, T, Yokota, T, Emerling, B, Asara, J.A, Ishida, T, Shimada, I, Daikoku, T, Cantley, L.C, Senda, T, Sasaki, A.T.
Deposit date:2014-10-09
Release date:2015-10-14
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:The Lipid Kinase PI5P4K beta Is an Intracellular GTP Sensor for Metabolism and Tumorigenesis
Mol.Cell, 61, 2016
2CPP
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BU of 2cpp by Molmil
HIGH-RESOLUTION CRYSTAL STRUCTURE OF CYTOCHROME P450-CAM
Descriptor: CAMPHOR, CYTOCHROME P450-CAM, PROTOPORPHYRIN IX CONTAINING FE
Authors:Poulos, T.L.
Deposit date:1987-04-06
Release date:1987-07-16
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:High-resolution crystal structure of cytochrome P450cam.
J.Mol.Biol., 195, 1987
5TXM
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BU of 5txm by Molmil
STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE (RT) TERNARY COMPLEX WITH A DOUBLE STRANDED DNA AND AN INCOMING DDATP
Descriptor: 1,2-ETHANEDIOL, 2',3'-dideoxyadenosine triphosphate, DNA (5'-D(*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*G)-3'), ...
Authors:Das, K, Martinez, S.M, Arnold, E.
Deposit date:2016-11-17
Release date:2017-04-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural Insights into HIV Reverse Transcriptase Mutations Q151M and Q151M Complex That Confer Multinucleoside Drug Resistance.
Antimicrob. Agents Chemother., 61, 2017
5U5U
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BU of 5u5u by Molmil
CcP gateless cavity
Descriptor: ISONICOTINAMIDINE, PROTOPORPHYRIN IX CONTAINING FE, Peroxidase
Authors:Fischer, M, Shoichet, B.K.
Deposit date:2016-12-07
Release date:2017-02-01
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:Testing inhomogeneous solvation theory in structure-based ligand discovery.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5U5Y
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BU of 5u5y by Molmil
CcP gateless cavity
Descriptor: 2-methylimidazo[1,2-a]pyridin-3-amine, PROTOPORPHYRIN IX CONTAINING FE, Peroxidase
Authors:Fischer, M, Shoichet, B.K.
Deposit date:2016-12-07
Release date:2017-02-01
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Testing inhomogeneous solvation theory in structure-based ligand discovery.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5U60
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BU of 5u60 by Molmil
CcP gateless cavity
Descriptor: (4E)-4-hydrazinylidene-1,4-dihydroquinoline, PROTOPORPHYRIN IX CONTAINING FE, Peroxidase
Authors:Fischer, M, Shoichet, B.K.
Deposit date:2016-12-07
Release date:2017-02-01
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Testing inhomogeneous solvation theory in structure-based ligand discovery.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5U72
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BU of 5u72 by Molmil
Structure of human MR1-5OH-DCF in complex with human MAIT A-F7 TCR
Descriptor: 5-hydroxydiclofenac, ACETATE ION, Beta-2-microglobulin, ...
Authors:Keller, A.N, Rossjohn, J.
Deposit date:2016-12-10
Release date:2017-02-08
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:T-cell receptor complex
NAT.IMMUNOL., 2017
5U36
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BU of 5u36 by Molmil
Crystal Structure Of A Mutant M. Jannashii Tyrosyl-tRNA Synthetase
Descriptor: Tyrosine--tRNA ligase
Authors:Luo, X, Fu, G, Zhu, X, Wilson, I.A, Wang, F.
Deposit date:2016-12-01
Release date:2017-06-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.03 Å)
Cite:Genetically encoding phosphotyrosine and its nonhydrolyzable analog in bacteria.
Nat. Chem. Biol., 13, 2017
1ZZC
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BU of 1zzc by Molmil
Crystal Structure of CoII HppE in Complex with Tris Buffer
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, COBALT (II) ION, hydroxypropylphosphonic acid epoxidase
Authors:Higgins, L.J, Yan, F, Liu, P, Liu, H.W, Drennan, C.L.
Deposit date:2005-06-13
Release date:2005-07-26
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural insight into antibiotic fosfomycin biosynthesis by a mononuclear iron enzyme
Nature, 437, 2005
4B0S
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BU of 4b0s by Molmil
Structure of the Deamidase-Depupylase Dop of the Prokaryotic Ubiquitin-like Modification Pathway in Complex with ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, DEAMIDASE-DEPUPYLASE DOP, MAGNESIUM ION
Authors:Ozcelik, D, Barandun, J, Schmitz, N, Sutter, M, Guth, E, Damberger, F.F, Allain, F.H.-T, Ban, N, Weber-Ban, E.
Deposit date:2012-07-04
Release date:2012-09-12
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structures of Pup Ligase Pafa and Depupylase Dop from the Prokaryotic Ubiquitin-Like Modification Pathway.
Nat.Commun., 3, 2012
4B1E
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BU of 4b1e by Molmil
New Aminoimidazoles as BACE-1 Inhibitors: From Rational Design to Ab- lowering in Brain
Descriptor: (2R)-2-methyl-5-phenyl-2-(3-pyridin-3-ylphenyl)-2,3-dihydro-1H-imidazol-4-amine, BETA-SECRETASE 1
Authors:Rahm, F, Blid, J, Ginman, T, Karlstrom, S, Kihlstrom, J, Kolmodin, K, Lindstrom, J, von Berg, S, von Kieseritzky, F, Slivo, C, Swahn, B, Viklund, J, Olsson, L, Johansson, P, Eketjall, S, Falting, J, Jeppsson, F, Stromberg, K, Janson, J, Gravenfors, Y.
Deposit date:2012-07-10
Release date:2012-10-10
Last modified:2018-02-14
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:New aminoimidazoles as beta-secretase (BACE-1) inhibitors showing amyloid-beta (A beta ) lowering in brain.
J. Med. Chem., 55, 2012
4AY5
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BU of 4ay5 by Molmil
Human O-GlcNAc transferase (OGT) in complex with UDP and glycopeptide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GTAB1TIDE, UDP-N-ACETYLGLUCOSAMINE--PEPTIDE N-ACETYLGLUCOSAMINYL TRANSFERASE 110 KDA SUBUNIT, ...
Authors:Schimpl, M, Zheng, X, Blair, D.E, Schuettelkopf, A.W, Navratilova, I, Aristotelous, T, Ferenbach, A.T, Macnaughtan, M.A, Borodkin, V.S, van Aalten, D.M.F.
Deposit date:2012-06-18
Release date:2012-10-24
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:O-Glcnac Transferase Invokes Nucleotide Sugar Pyrophosphate Participation in Catalysis
Nat.Chem.Biol., 8, 2012
4B09
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BU of 4b09 by Molmil
Structure of unphosphorylated BaeR dimer
Descriptor: HEXATANTALUM DODECABROMIDE, TRANSCRIPTIONAL REGULATORY PROTEIN BAER
Authors:Choudhury, H, Beis, K.
Deposit date:2012-06-29
Release date:2013-07-10
Last modified:2013-09-25
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:The Dimeric Form of the Unphosphorylated Response Regulator Baer.
Protein Sci., 22, 2013
4B6F
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BU of 4b6f by Molmil
Discovery of an allosteric mechanism for the regulation of HCV NS3 protein function
Descriptor: (4-phenoxyphenyl)methylazanium, NON-STRUCTURAL PROTEIN 4A, SERINE PROTEASE NS3, ...
Authors:Saalau-Bethell, S.M, Woodhead, A.J, Chessari, G, Carr, M.G, Coyle, J, Graham, B, Hiscock, S.D, Murray, C.W, Pathuri, P, Rich, S.J, Richardson, C.J, Williams, P.A, Jhoti, H.
Deposit date:2012-08-09
Release date:2012-10-03
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Discovery of an Allosteric Mechanism for the Regulation of Hcv Ns3 Protein Function.
Nat.Chem.Biol., 8, 2012
4B9N
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BU of 4b9n by Molmil
Structure of the high fidelity DNA polymerase I correctly bypassing the oxidative formamidopyrimidine-dA DNA lesion.
Descriptor: 5'-D(*CP*AP*AP*(FAX)*AP*GP*AP*GP*TP*CP*AP*GP*GP*CP*TP)-3', 5'-D(*GP*CP*CP*TP*GP*AP*CP*TP*CP*TP*TP*TP*TP)-3', DNA POLYMERASE, ...
Authors:Gehrke, T.H, Lischke, U, Arnold, S, Schneider, S, Carell, T.
Deposit date:2012-09-05
Release date:2013-04-17
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Unexpected Non-Hoogsteen-Based Mutagenicity Mechanism of Fapy-DNA Lesions.
Nat.Chem.Biol., 9, 2013

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