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3MKU
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BU of 3mku by Molmil
Structure of a Cation-bound Multidrug and Toxin Compound Extrusion (MATE) transporter
Descriptor: Multi antimicrobial extrusion protein (Na(+)/drug antiporter) MATE-like MDR efflux pump, RUBIDIUM ION
Authors:He, X, Szewczyk, P, Karyakin, A, Evin, M, Hong, W.-X, Zhang, Q, Chang, G.
Deposit date:2010-04-15
Release date:2010-09-29
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (4.2 Å)
Cite:Structure of a cation-bound multidrug and toxic compound extrusion transporter.
Nature, 467, 2010
3DE8
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BU of 3de8 by Molmil
Crystal Structure of a Dimeric Cytochrome cb562 Assembly Induced by Copper Coordination
Descriptor: CALCIUM ION, COPPER (II) ION, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Salgado, E.N, Lewis, R.A, Rheingold, A.L, Tezcan, F.A.
Deposit date:2008-06-08
Release date:2009-04-21
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Control of protein oligomerization symmetry by metal coordination: C2 and C3 symmetrical assemblies through Cu(II) and Ni(II) coordination.
Inorg.Chem., 48, 2009
4K7M
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BU of 4k7m by Molmil
Crystal structure of RNase S variant (K7C/Q11C) with bound mercury ions
Descriptor: MERCURY (II) ION, Ribonuclease pancreatic, SULFATE ION
Authors:Genz, M, Straeter, N.
Deposit date:2013-04-17
Release date:2013-11-27
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure of Apo- and Metalated Thiolate containing RNase S as Structural Basis for the Design of Artificial Metalloenzymes by Peptide- Protein Complementation
Z.Anorg.Allg.Chem., 639, 2013
3D9C
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BU of 3d9c by Molmil
Crystal Structure PTP1B complex with aryl Seleninic acid
Descriptor: (4-{(2S)-2-[(tert-butoxycarbonyl)amino]-3-methoxy-3-oxopropyl}phenyl)methaneseleninic acid, Tyrosine-protein phosphatase non-receptor type 1
Authors:Abdo, M, Liu, S, Zhou, B, Walls, C.D, Knapp, S, Zhang, Z.-Y.
Deposit date:2008-05-27
Release date:2008-09-23
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Seleninate in place of phosphate: irreversible inhibition of protein tyrosine phosphatases.
J.Am.Chem.Soc., 130, 2008
3M6J
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BU of 3m6j by Molmil
Crystal structure of unknown function protein from Leptospirillum rubarum
Descriptor: CHLORIDE ION, uncharacterized protein
Authors:Chang, C, Xu, X, Cui, H, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2010-03-15
Release date:2010-03-31
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of unknown function protein from Leptospirillum rubarum
To be Published
4K7V
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BU of 4k7v by Molmil
OYE1-W116A complexed with (R)-carvone
Descriptor: (5R)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-one, CHLORIDE ION, FLAVIN MONONUCLEOTIDE, ...
Authors:Sullivan, B, Pompeu, Y.A, Stewart, J.D.
Deposit date:2013-04-17
Release date:2013-10-09
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.516 Å)
Cite:X‑ray Crystallography Reveals How Subtle Changes Control the Orientation of Substrate Binding in an Alkene Reductase
ACS CATALYSIS, 3, 2013
4KBJ
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BU of 4kbj by Molmil
Structure of Mtb RNAP Beta subunit B1 and B2 domains
Descriptor: DNA-directed RNA polymerase subunit beta
Authors:Gulten, G, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2013-04-23
Release date:2013-10-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4532 Å)
Cite:Structure of the Mtb CarD/RNAP beta-Lobes Complex Reveals the Molecular Basis of Interaction and Presents a Distinct DNA-Binding Domain for Mtb CarD.
Structure, 21, 2013
4WA5
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BU of 4wa5 by Molmil
The crystal structure of neuraminidase from a H3N8 influenza virus isolated from New England harbor seals in complex with zanamivir
Descriptor: CALCIUM ION, Neuraminidase, ZANAMIVIR, ...
Authors:Yang, H, Villanueva, J.M, Gubareva, L.V, Stevens, J.
Deposit date:2014-08-28
Release date:2015-01-14
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural and Functional Analysis of Surface Proteins from an A(H3N8) Influenza Virus Isolated from New England Harbor Seals.
J.Virol., 89, 2015
3M7M
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Crystal structure of monomeric hsp33
Descriptor: 33 kDa chaperonin
Authors:Chi, S.W, Jeong, D.G, Woo, J.R, Park, B.C, Ryu, S.E, Kim, S.J.
Deposit date:2010-03-16
Release date:2011-01-26
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structure of monomeric hsp33
To be Published
4KCN
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BU of 4kcn by Molmil
Structure of neuronal nitric oxide synthase heme domain in complex with N-(3-(((3-fluorophenethyl)amino)methyl)phenyl)thiophene-2-carboximidamide
Descriptor: 1,2-ETHANEDIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2013-04-24
Release date:2014-02-12
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Potent and Selective Double-Headed Thiophene-2-carboximidamide Inhibitors of Neuronal Nitric Oxide Synthase for the Treatment of Melanoma.
J.Med.Chem., 57, 2014
3D9M
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BU of 3d9m by Molmil
Snapshots of the RNA processing factor SCAF8 bound to different phosphorylated forms of the Carboxy-Terminal Domain of RNA-Polymerase II
Descriptor: AMMONIUM ION, CTD-PEPTIDE, RNA-binding protein 16, ...
Authors:Becker, R, Loll, B, Meinhart, A.
Deposit date:2008-05-27
Release date:2008-06-10
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Snapshots of the RNA Processing Factor SCAF8 Bound to Different Phosphorylated Forms of the Carboxyl-terminal Domain of RNA Polymerase II.
J.Biol.Chem., 283, 2008
3D9L
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BU of 3d9l by Molmil
Snapshots of the RNA processing factor SCAF8 bound to different phosphorylated forms of the Carboxy-Terminal Domain of RNA-Polymerase II
Descriptor: ACETATE ION, CTD-PEPTIDE, GLYCEROL, ...
Authors:Becker, R, Loll, B, Meinhart, A.
Deposit date:2008-05-27
Release date:2008-06-10
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Snapshots of the RNA Processing Factor SCAF8 Bound to Different Phosphorylated Forms of the Carboxyl-terminal Domain of RNA Polymerase II.
J.Biol.Chem., 283, 2008
3M7W
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BU of 3m7w by Molmil
Crystal Structure of Type I 3-Dehydroquinate Dehydratase (aroD) from Salmonella typhimurium LT2 in Covalent Complex with Dehydroquinate
Descriptor: 1,3,4-TRIHYDROXY-5-OXO-CYCLOHEXANECARBOXYLIC ACID, 3-dehydroquinate dehydratase, GLYCEROL
Authors:Minasov, G, Light, S.H, Shuvalova, L, Papazisi, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2010-03-17
Release date:2010-04-07
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Insights into the mechanism of type I dehydroquinate dehydratases from structures of reaction intermediates.
J.Biol.Chem., 286, 2011
4UQ3
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BU of 4uq3 by Molmil
Crystal structure of HLA-A0201 in complex with an azobenzene- containing peptide
Descriptor: AZOBENZENE-CONTAINING PEPTIDE, BETA-2-MICROGLOBULIN, HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, ...
Authors:Thong, S.Y, Yap, J.W, Lim, P.Y, Verhelst, S.H, Lescar, J, Meijers, R, Grotenbreg, G.M.
Deposit date:2014-06-19
Release date:2014-09-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Bioorthogonal cleavage and exchange of major histocompatibility complex ligands by employing azobenzene-containing peptides.
Angew. Chem. Int. Ed. Engl., 53, 2014
4K8S
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BU of 4k8s by Molmil
Hydroxyethylamine-based inhibitors of BACE1: P1-P3 macrocyclization can improve potency, selectivity, and cell activity
Descriptor: (3S)-3-[(1R)-2-{[(4S)-6-ethyl-3,4-dihydrospiro[chromene-2,1'-cyclobutan]-4-yl]amino}-1-hydroxyethyl]-4-azabicyclo[11.3.1]heptadeca-1(17),13,15-trien-5-one, Beta-secretase 1
Authors:Jordan, S.R.
Deposit date:2013-04-18
Release date:2013-07-10
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Hydroxyethylamine-based inhibitors of BACE1: P1-P3 macrocyclization can improve potency, selectivity, and cell activity.
Bioorg.Med.Chem.Lett., 23, 2013
4K98
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BU of 4k98 by Molmil
Structure of Ternary Complex of cGAS with dsDNA and Bound 5 -pppG(2 ,5 )pG
Descriptor: Cyclic GMP-AMP synthase, DNA-F, DNA-R, ...
Authors:Gao, P, Wu, Y, Patel, D.J.
Deposit date:2013-04-19
Release date:2013-05-15
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Cyclic [G(2',5')pA(3',5')p] is the metazoan second messenger produced by DNA-activated cyclic GMP-AMP synthase.
Cell(Cambridge,Mass.), 153, 2013
3DBO
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BU of 3dbo by Molmil
Crystal structure of a member of the VapBC family of toxin-antitoxin systems, VapBC-5, from Mycobacterium tuberculosis
Descriptor: ACETATE ION, BETA-MERCAPTOETHANOL, SODIUM ION, ...
Authors:Miallau, L, Cascio, D, Eisenberg, D, Integrated Center for Structure and Function Innovation (ISFI), TB Structural Genomics Consortium (TBSGC)
Deposit date:2008-06-02
Release date:2008-07-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Structure and Proposed Activity of a Member of the VapBC Family of Toxin-Antitoxin Systems: VapBC-5 FROM MYCOBACTERIUM TUBERCULOSIS.
J.Biol.Chem., 284, 2009
4KDF
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BU of 4kdf by Molmil
Crystal Structure of Thermus thermophilus Malate Dehydrogenase in Complex with NAD
Descriptor: Malate dehydrogenase, SULFATE ION
Authors:Hsu, C.-H, Hong, C.-H, Chang, Y.-Y.
Deposit date:2013-04-25
Release date:2014-02-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.356 Å)
Cite:Crystal structures and molecular dynamics simulations of thermophilic malate dehydrogenase reveal critical loop motion for co-substrate binding.
Plos One, 8, 2013
3D9X
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BU of 3d9x by Molmil
Structure of the head of the Bartonella adhesin BadA
Descriptor: Adhesin A
Authors:Zeth, K, Lupas, A, Martin, J.
Deposit date:2008-05-28
Release date:2008-08-26
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:Structure of the head of the Bartonella adhesin BadA
Plos Pathog., 4, 2008
3DAC
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BU of 3dac by Molmil
Structure of the human Mdmx protein bound to the p53 tumor suppressor transactivation domain
Descriptor: Cellular tumor antigen p53, Mdm4 protein
Authors:Popowicz, G.M, Czarna, A, Holak, T.A.
Deposit date:2008-05-29
Release date:2008-09-02
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of the human Mdmx protein bound to the p53 tumor suppressor transactivation domain.
Cell Cycle, 7, 2008
3MA2
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BU of 3ma2 by Molmil
Complex membrane type-1 matrix metalloproteinase (MT1-MMP) with tissue inhibitor of metalloproteinase-1 (TIMP-1)
Descriptor: CALCIUM ION, Matrix metalloproteinase-14, Metalloproteinase inhibitor 1, ...
Authors:Grossman, M, Tworowski, D, Dym, O, Lee, M.-H, Levy, Y, Sagi, I.
Deposit date:2010-03-23
Release date:2010-06-30
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:The Intrinsic Protein Flexibility of Endogenous Protease Inhibitor TIMP-1 Controls Its Binding Interface and Affects Its Function.
Biochemistry, 49, 2010
3DAM
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BU of 3dam by Molmil
Crystal Structure of Allene oxide synthase
Descriptor: Cytochrome P450 74A2, PROTOPORPHYRIN IX CONTAINING FE
Authors:Li, L, Wang, X.
Deposit date:2008-05-29
Release date:2008-09-23
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Modes of heme binding and substrate access for cytochrome P450 CYP74A revealed by crystal structures of allene oxide synthase.
Proc.Natl.Acad.Sci.Usa, 105, 2008
4UHF
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BU of 4uhf by Molmil
Structural studies of a thermophilic esterase from Thermogutta terrifontis (L37A mutant with butyrate bound)
Descriptor: CACODYLIC ACID, ESTERASE, TRIETHYLENE GLYCOL, ...
Authors:Sayer, C, Isupov, M.N, Bonch-Osmolovskaya, E, Littlechild, J.A.
Deposit date:2015-03-24
Release date:2015-06-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.08 Å)
Cite:Structural Studies of a Thermophilic Esterase from a New Planctomycetes Species, Thermogutta Terrifontis.
FEBS J., 282, 2015
4KEI
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BU of 4kei by Molmil
Crystal structure of mouse Ryanodine Receptor 2 (1-217) disease mutant P164S
Descriptor: Ryanodine receptor 2
Authors:Kimlicka, L, Van Petegem, F.
Deposit date:2013-04-25
Release date:2013-09-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.406 Å)
Cite:Type 2 Ryanodine Receptor Domain A Contains a Unique and Dynamic alpha-Helix That Transitions to a beta-Strand in a Mutant Linked with a Heritable Cardiomyopathy.
J.Mol.Biol., 425, 2013
4KEQ
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Crystal structure of 4-pyridoxolactonase, 5-pyridoxolactone bound
Descriptor: 1,2-ETHANEDIOL, 4-pyridoxolactonase, 7-hydroxy-6-methylfuro[3,4-c]pyridin-3(1H)-one, ...
Authors:Kobayashi, J, Yoshikane, Y, Baba, S, Mizutani, K, Takahashi, N, Mikami, B, Yagi, T.
Deposit date:2013-04-26
Release date:2014-04-09
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.279 Å)
Cite:Structure of 4-pyridoxolactonase from Mesorhizobium loti.
Acta Crystallogr.,Sect.F, 70, 2014

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