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6MKA
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BU of 6mka by Molmil
Crystal structure of penicillin binding protein 5 (PBP5) from Enterococcus faecium in the open conformation
Descriptor: SULFATE ION, penicillin binding protein 5 (PBP5)
Authors:Moon, T.M, Lee, C, D'Andrea, E.D, Peti, W, Page, R.
Deposit date:2018-09-25
Release date:2018-10-31
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.698 Å)
Cite:The structures of penicillin-binding protein 4 (PBP4) and PBP5 fromEnterococciprovide structural insights into beta-lactam resistance.
J. Biol. Chem., 293, 2018
6MKI
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BU of 6mki by Molmil
Crystal structure of penicillin-binding protein 4 (PBP4) from Enterococcus faecalis in the ceftaroline-bound form
Descriptor: Ceftaroline, bound form, GLYCEROL, ...
Authors:D'Andrea, E.D, Moon, T.M, Peti, W, Page, R.
Deposit date:2018-09-25
Release date:2018-10-31
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.984 Å)
Cite:The structures of penicillin-binding protein 4 (PBP4) and PBP5 fromEnterococciprovide structural insights into beta-lactam resistance.
J. Biol. Chem., 293, 2018
6N3V
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BU of 6n3v by Molmil
Human Histidine Triad Nucleotide Binding Protein 1 (Hint1) with Bound 5'-O-[1-Ethyl]Carbamoyl Guanosine
Descriptor: 5'-O-(ethylcarbamoyl)guanosine, CHLORIDE ION, Histidine triad nucleotide-binding protein 1
Authors:Strom, A.M, Finzel, B.C.
Deposit date:2018-11-16
Release date:2019-09-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Inhibition of HINT1 Modulates Spinal Nociception and NMDA Evoked Behavior in Mice.
Acs Chem Neurosci, 10, 2019
6LZ2
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BU of 6lz2 by Molmil
Crystal structure of a thermostable green fluorescent protein (TGP) with a synthetic nanobody (Sb44)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, GLYCEROL, ...
Authors:Cai, H, Yao, H, Li, T, Hutter, C, Tang, Y, Li, Y, Seeger, M, Li, D.
Deposit date:2020-02-17
Release date:2020-12-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:An improved fluorescent tag and its nanobodies for membrane protein expression, stability assay, and purification.
Commun Biol, 3, 2020
2O0U
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BU of 2o0u by Molmil
Crystal structure of human JNK3 complexed with N-{3-cyano-6-[3-(1-piperidinyl)propanoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl}-1-naphthalenecarboxamide
Descriptor: Mitogen-activated protein kinase 10, N-{3-CYANO-6-[3-(1-PIPERIDINYL)PROPANOYL]-4,5,6,7-TETRAHYDROTHIENO[2,3-C]PYRIDIN-2-YL}1-NAPHTHALENECARBOXAMIDE
Authors:Rowland, P, Somers, D.
Deposit date:2006-11-28
Release date:2007-02-27
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:N-(3-Cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)amides as potent, selective, inhibitors of JNK2 and JNK3.
Bioorg.Med.Chem.Lett., 17, 2007
6N3X
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BU of 6n3x by Molmil
Human Histidine Triad Nucleotide Binding Protein 1 (Hint1) with Bound 5'-O-[1-Benzyl]Carbamoyl Guanosine
Descriptor: 1,2-ETHANEDIOL, 5'-O-(benzylcarbamoyl)guanosine, CHLORIDE ION, ...
Authors:Strom, A.M, Finzel, B.C.
Deposit date:2018-11-16
Release date:2019-09-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Inhibition of HINT1 Modulates Spinal Nociception and NMDA Evoked Behavior in Mice.
Acs Chem Neurosci, 10, 2019
6MKG
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BU of 6mkg by Molmil
Crystal structure of penicillin binding protein 5 (PBP5) from Enterococcus faecium in the benzylpenicilin-bound form
Descriptor: OPEN FORM - PENICILLIN G, SULFATE ION, penicillin binding protein 5 (PBP5)
Authors:Moon, T.M, Lee, C, D'Andrea, E.D, Peti, W, Page, R.
Deposit date:2018-09-25
Release date:2018-10-31
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.94 Å)
Cite:The structures of penicillin-binding protein 4 (PBP4) and PBP5 fromEnterococciprovide structural insights into beta-lactam resistance.
J. Biol. Chem., 293, 2018
6NCT
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BU of 6nct by Molmil
Structure of p110alpha/niSH2 - vector data collection
Descriptor: Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, SULFATE ION, ...
Authors:Miller, M.S, Maheshwari, S, Amzel, L.M, Gabelli, S.B.
Deposit date:2018-12-12
Release date:2019-02-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:Getting the Most Out of Your Crystals: Data Collection at the New High-Flux, Microfocus MX Beamlines at NSLS-II.
Molecules, 24, 2019
6NCK
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BU of 6nck by Molmil
Crystal structure of H108A peptidylglycine alpha-hydroxylating monooxygenase (PHM)
Descriptor: COPPER (II) ION, NICKEL (II) ION, Peptidyl-glycine alpha-amidating monooxygenase
Authors:Miller, M.S, Maheshwari, S, Gabelli, S.B.
Deposit date:2018-12-11
Release date:2019-02-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Getting the Most Out of Your Crystals: Data Collection at the New High-Flux, Microfocus MX Beamlines at NSLS-II.
Molecules, 24, 2019
6NFW
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BU of 6nfw by Molmil
Potyvirus viral protein genome linked (VPg) emulates the m7G cap to recruit the eukaryotic translation initiation factor eIF4E
Descriptor: VPg
Authors:Borden, K, Volpon, L, Osborne, M.
Deposit date:2018-12-21
Release date:2019-11-06
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural studies of the eIF4E-VPg complex reveal a direct competition for capped RNA: Implications for translation.
Proc.Natl.Acad.Sci.USA, 116, 2019
6N3W
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BU of 6n3w by Molmil
Human Histidine Triad Nucleotide Binding Protein 1 (Hint1) with Bound 5'-O-[3-Phenyl-1-Ethyl]Carbamoyl Guanosine
Descriptor: 5'-O-[(2-phenylethyl)carbamoyl]guanosine, Histidine triad nucleotide-binding protein 1
Authors:Strom, A.M, Finzel, B.C.
Deposit date:2018-11-16
Release date:2019-09-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Inhibition of HINT1 Modulates Spinal Nociception and NMDA Evoked Behavior in Mice.
Acs Chem Neurosci, 10, 2019
6N3Y
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BU of 6n3y by Molmil
Human Histidine Triad Nucleotide Binding Protein 1 (Hint1) with Bound 5'-O-[(3-Indolyl)-1-Ethyl]Carbamoyl Guanosine
Descriptor: 5'-O-{[2-(1H-indol-3-yl)ethyl]carbamoyl}guanosine, CHLORIDE ION, Histidine triad nucleotide-binding protein 1
Authors:Strom, A.M, Finzel, B.C.
Deposit date:2018-11-16
Release date:2019-09-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Inhibition of HINT1 Modulates Spinal Nociception and NMDA Evoked Behavior in Mice.
Acs Chem Neurosci, 10, 2019
2O2U
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BU of 2o2u by Molmil
Crystal structure of human JNK3 complexed with N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-fluorobenzamide
Descriptor: Mitogen-activated protein kinase 10, N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-fluorobenzamide
Authors:Somers, D, Rowland, P.
Deposit date:2006-11-30
Release date:2007-02-27
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:N-(3-Cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)amides as potent, selective, inhibitors of JNK2 and JNK3.
Bioorg.Med.Chem.Lett., 17, 2007
6NCI
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BU of 6nci by Molmil
Crystal structure of CDP-Chase: Vector data collection
Descriptor: D-ribose, DI(HYDROXYETHYL)ETHER, PHOSPHATE ION, ...
Authors:Miller, M.S, Shi, W, Gabelli, S.B.
Deposit date:2018-12-11
Release date:2019-02-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Getting the Most Out of Your Crystals: Data Collection at the New High-Flux, Microfocus MX Beamlines at NSLS-II.
Molecules, 24, 2019
7U1B
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BU of 7u1b by Molmil
Crystal structure of EstG in complex with tantalum cluster
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BICINE, Beta-lactamase domain-containing protein, ...
Authors:Chen, Z, Gabelli, S.B.
Deposit date:2022-02-20
Release date:2023-01-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:EstG is a novel esterase required for cell envelope integrity in Caulobacter.
Curr.Biol., 33, 2023
7U1C
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BU of 7u1c by Molmil
Structure of EstG crystalized with SO4 and Tris
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-lactamase domain-containing protein, SODIUM ION, ...
Authors:Gabelli, S.B, Chen, Z.
Deposit date:2022-02-20
Release date:2023-01-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:EstG is a novel esterase required for cell envelope integrity in Caulobacter.
Curr.Biol., 33, 2023
7UDA
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BU of 7uda by Molmil
Structure of the EstG
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-lactamase domain-containing protein, SODIUM ION
Authors:Chen, Z, Gabelli, S.B.
Deposit date:2022-03-18
Release date:2023-01-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:EstG is a novel esterase required for cell envelope integrity in Caulobacter.
Curr.Biol., 33, 2023
6GU6
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BU of 6gu6 by Molmil
CDK1/Cks2 in complex with Dinaciclib
Descriptor: 3-[({3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl}amino)methyl]-1-hydroxypyridinium, Cyclin-dependent kinase 1, Cyclin-dependent kinases regulatory subunit 2
Authors:Wood, D.J, Korolchuk, S, Tatum, N.J, Wang, L.Z, Endicott, J.A, Noble, M.E.M, Martin, M.P.
Deposit date:2018-06-19
Release date:2018-12-05
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Differences in the Conformational Energy Landscape of CDK1 and CDK2 Suggest a Mechanism for Achieving Selective CDK Inhibition.
Cell Chem Biol, 26, 2019
9F17
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BU of 9f17 by Molmil
Crystal structure of N term His-tag Adenylosuccinate synthetase from Helicobacter pylori
Descriptor: Adenylosuccinate synthetase, CALCIUM ION, GLYCEROL, ...
Authors:Stefanic, Z.
Deposit date:2024-04-18
Release date:2024-09-04
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Location Is Everything: Influence of His-Tag Fusion Site on Properties of Adenylosuccinate Synthetase from Helicobacter pylori.
Int J Mol Sci, 25, 2024
6XKI
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BU of 6xki by Molmil
Crystal structure of eIF4A-I in complex with RNA bound to des-MePateA, a pateamine A analog
Descriptor: (3S,6Z,8E,11S,15R)-15-amino-3-[(1E,3E,5E)-7-(dimethylamino)-2,5-dimethylhepta-1,3,5-trien-1-yl]-9,11-dimethyl-4,12-dioxa-20-thia-21-azabicyclo[16.2.1]henicosa-1(21),6,8,18-tetraene-5,13-dione, Eukaryotic initiation factor 4A-I, MAGNESIUM ION, ...
Authors:Liang, J, Naineni, S.K, Pelletier, J, Nagar, B.
Deposit date:2020-06-26
Release date:2021-01-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.87 Å)
Cite:Functional mimicry revealed by the crystal structure of an eIF4A:RNA complex bound to the interfacial inhibitor, desmethyl pateamine A.
Cell Chem Biol, 28, 2021
6XRJ
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BU of 6xrj by Molmil
Crystal structure of the disulfide linked DH717.1 Fab dimer, derived from a macaque HIV-1 vaccine-induced Env glycan-reactive neutralizing antibody B cell lineage
Descriptor: DH717.1 heavy chain Fab fragment, DH717.1 light chain Fab fragment
Authors:Manne, K, Nicely, N.I, Acharya, P.
Deposit date:2020-07-13
Release date:2020-12-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Fab-dimerized glycan-reactive antibodies are a structural category of natural antibodies.
Cell, 184, 2021
1TIQ
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BU of 1tiq by Molmil
Crystal Structure of an Acetyltransferase (PaiA) in complex with CoA and DTT from Bacillus subtilis, Northeast Structural Genomics Target SR64.
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, COENZYME A, Protease synthase and sporulation negative regulatory protein PAI 1, ...
Authors:Forouhar, F, Lee, I, Shen, J, Vorobiev, S.M, Xiao, R, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2004-06-02
Release date:2004-07-13
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and functional evidence for Bacillus subtilis PaiA as a novel N1-spermidine/spermine acetyltransferase.
J.Biol.Chem., 280, 2005
4WYI
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BU of 4wyi by Molmil
The crystal structure of Arabidopsis thaliana galactolipid synthase, MGD1 (apo-form)
Descriptor: Monogalactosyldiacylglycerol synthase 1, chloroplastic
Authors:Rocha, J, Breton, C.
Deposit date:2014-11-17
Release date:2016-02-17
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural insights and membrane binding properties of MGD1, the major galactolipid synthase in plants.
Plant J., 85, 2016
6Y2N
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BU of 6y2n by Molmil
Crystal structure of ribonucleotide reductase R2 subunit solved by serial synchrotron crystallography
Descriptor: FE (III) ION, MANGANESE (III) ION, Ribonucleoside-diphosphate reductase subunit beta
Authors:Shilova, A, Lebrette, H, Aurelius, O, Hogbom, M, Mueller, U.
Deposit date:2020-02-17
Release date:2020-10-07
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Current status and future opportunities for serial crystallography at MAX IV Laboratory.
J.Synchrotron Radiat., 27, 2020
4LV3
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BU of 4lv3 by Molmil
AmpC beta-lactamase in complex with (3,5-di-tert-butylphenyl) boronic acid
Descriptor: (3,5-di-tert-butylphenyl)boronic acid, Beta-lactamase, PHOSPHATE ION
Authors:London, N, Eidam, O, Shoichet, B.K.
Deposit date:2013-07-25
Release date:2014-07-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Covalent docking of large libraries for the discovery of chemical probes.
Nat.Chem.Biol., 10, 2014

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