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5TF9
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BU of 5tf9 by Molmil
Crystal structure of WNK1 in complex with Mn2+AMPPNP and WNK476
Descriptor: CALCIUM ION, MANGANESE (II) ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Xie, X, Gunawan, J.
Deposit date:2016-09-24
Release date:2016-10-19
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery and Characterization of Allosteric WNK Kinase Inhibitors.
ACS Chem. Biol., 11, 2016
7FCD
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BU of 7fcd by Molmil
Structure of the SARS-CoV-2 A372T spike glycoprotein (open)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Wang, X, Zhang, S.
Deposit date:2021-07-14
Release date:2022-01-26
Last modified:2022-03-16
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Loss of Spike N370 glycosylation as an important evolutionary event for the enhanced infectivity of SARS-CoV-2.
Cell Res., 32, 2022
7FCE
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BU of 7fce by Molmil
Structure of the SARS-CoV-2 A372T spike glycoprotein (closed)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Wang, X, Zhang, S.
Deposit date:2021-07-14
Release date:2022-01-26
Last modified:2022-03-16
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Loss of Spike N370 glycosylation as an important evolutionary event for the enhanced infectivity of SARS-CoV-2.
Cell Res., 32, 2022
2OI0
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BU of 2oi0 by Molmil
Crystal structure analysis 0f the TNF-a Coverting Enzyme (TACE) in complexed with Aryl-sulfonamide
Descriptor: (3S)-1-{[4-(BUT-2-YN-1-YLOXY)PHENYL]SULFONYL}PYRROLIDINE-3-THIOL, TNF- a Converting Enzyme (TACE), ZINC ION
Authors:Wei, Y, Rao, G.B, Bandarage, U.K.
Deposit date:2007-01-10
Release date:2007-11-27
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Novel thiol-based TACE inhibitors: rational design, synthesis, and SAR of thiol-containing aryl sulfonamides
Bioorg.Med.Chem.Lett., 17, 2007
5Z1W
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BU of 5z1w by Molmil
Cryo-EM structure of polycystic kidney disease-like channel PKD2L1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Polycystic kidney disease 2-like 1 protein
Authors:Zhang, Y.Q.
Deposit date:2017-12-28
Release date:2018-03-28
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.38 Å)
Cite:Cryo-EM structure of the polycystic kidney disease-like channel PKD2L1.
Nat Commun, 9, 2018
5ZX2
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BU of 5zx2 by Molmil
Mycobacterium tuberculosis RNA polymerase transcription initiation complex with ECF sigma factor sigma H and 7nt RNA
Descriptor: DNA (47-MER), DNA (48-MER), DNA-directed RNA polymerase subunit alpha, ...
Authors:Li, L, Zhang, Y.
Deposit date:2018-05-17
Release date:2019-03-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis for transcription initiation by bacterial ECF sigma factors.
Nat Commun, 10, 2019
3B92
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BU of 3b92 by Molmil
Novel thio-based TACE inhibitors Part 2: Rational design, synthesis and SAR of thiol-contaning aryl sufones
Descriptor: 3-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}propane-1-thiol, ADAM 17, ZINC ION
Authors:Wei, Y.
Deposit date:2007-11-02
Release date:2007-12-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Novel thiol-based TACE inhibitors. Part 2: Rational design, synthesis, and SAR of thiol-containing aryl sulfones.
Bioorg.Med.Chem.Lett., 18, 2008
6C0B
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BU of 6c0b by Molmil
Structural basis for recognition of frizzled proteins by Clostridium difficile toxin B
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Frizzled-2, MALONATE ION, ...
Authors:Chen, P, Lam, K, Jin, R.
Deposit date:2017-12-28
Release date:2018-05-16
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for recognition of frizzled proteins byClostridium difficiletoxin B.
Science, 360, 2018
6BSK
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BU of 6bsk by Molmil
Human PIM1 kinase in complex with compound 12b
Descriptor: 1,2-ETHANEDIOL, 4-{6-[6-(propan-2-ylamino)-1H-indazol-1-yl]pyrazin-2-yl}benzoic acid, SULFATE ION, ...
Authors:Ferguson, A.D.
Deposit date:2017-12-03
Release date:2018-03-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.573 Å)
Cite:Discovery of 2,6-disubstituted pyrazine derivatives as inhibitors of CK2 and PIM kinases.
Bioorg. Med. Chem. Lett., 28, 2018
6C26
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BU of 6c26 by Molmil
The Cryo-EM structure of a eukaryotic oligosaccharyl transferase complex
Descriptor: (4R,7R)-4-hydroxy-N,N,N-trimethyl-4,9-dioxo-7-[(undecanoyloxy)methyl]-3,5,8-trioxa-4lambda~5~-phosphadocosan-1-aminium, 2-acetamido-2-deoxy-beta-D-glucopyranose, Dolichyl-diphosphooligosaccharide--protein glycosyltransferase subunit 1, ...
Authors:Bai, L, Li, H.
Deposit date:2018-01-06
Release date:2018-01-31
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:The atomic structure of a eukaryotic oligosaccharyltransferase complex.
Nature, 555, 2018
5ZX3
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BU of 5zx3 by Molmil
Mycobacterium tuberculosis RNA polymerase holoenzyme with ECF sigma factor sigma H
Descriptor: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
Authors:Li, L, Zhang, Y.
Deposit date:2018-05-17
Release date:2019-03-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.751 Å)
Cite:Structural basis for transcription initiation by bacterial ECF sigma factors.
Nat Commun, 10, 2019
5JJ1
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BU of 5jj1 by Molmil
Structure of the Immature Procapsid Conformation of P22 Portal Protein
Descriptor: Portal protein
Authors:Lokareddy, R.K, Cingolani, G.
Deposit date:2016-04-22
Release date:2017-02-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Portal protein functions akin to a DNA-sensor that couples genome-packaging to icosahedral capsid maturation.
Nat Commun, 8, 2017
5JJ3
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BU of 5jj3 by Molmil
Refined Structure of the Mature Virion Conformation of P22 Portal Protein
Descriptor: Portal protein
Authors:Lokareddy, R.K, Sankhala, R.S, Cingolani, G.
Deposit date:2016-04-22
Release date:2017-02-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (7 Å)
Cite:Portal protein functions akin to a DNA-sensor that couples genome-packaging to icosahedral capsid maturation.
Nat Commun, 8, 2017
3KRD
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BU of 3krd by Molmil
Crystal Structure of Mycobacterium Tuberculosis Proteasome in complex with Fellutamide B
Descriptor: (3R)-3-HYDROXYDODECANOIC ACID, Fellutamide B, Proteasome subunit alpha, ...
Authors:Li, D, Li, H.
Deposit date:2009-11-18
Release date:2010-09-29
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Fellutamide B is a potent inhibitor of the Mycobacterium tuberculosis proteasome.
Arch.Biochem.Biophys., 501, 2010
5YB1
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BU of 5yb1 by Molmil
Structure and function of human serum albumin-metal agent complex
Descriptor: PALMITIC ACID, Serum albumin, ~{N},~{N},12-trimethyl-3$l^{3}-thia-1$l^{4},5,6$l^{4}-triaza-2$l^{3}-cupratricyclo[6.4.0.0^{2,6}]dodeca-1(8),3,6,9,11-pentaen-4-amine
Authors:Yang, F, Wang, T, Wang, J, Gou, Y, Zhang, Z.L.
Deposit date:2017-09-02
Release date:2018-09-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.616 Å)
Cite:Developing an Anticancer Copper(II) Multitarget Pro-Drug Based on the His146 Residue in the IB Subdomain of Modified Human Serum Albumin.
Mol. Pharm., 15, 2018
6J24
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BU of 6j24 by Molmil
Crystal structure of a SAM-dependent methyltransferase LepI in complex with its substrate
Descriptor: (3~{S},4'~{R},4'~{a}~{S},6'~{R},8'~{a}~{S})-4',6'-dimethyl-5-phenyl-spiro[1~{H}-pyridine-3,5'-2,3,4,4~{a},6,8~{a}-hexahydro-1~{H}-naphthalene]-2,4-dione, O-methyltransferase, S-ADENOSYLMETHIONINE
Authors:Qiu, S, Wei, C.
Deposit date:2018-12-30
Release date:2019-05-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.244 Å)
Cite:Deciphering the regulatory and catalytic mechanisms of an unusual SAM-dependent enzyme.
Signal Transduct Target Ther, 4, 2019
6MU7
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BU of 6mu7 by Molmil
Crystal Structure of HIV-1 BG505 SOSIP.664 Prefusion Env Trimer Bound to Small Molecule HIV-1 Entry Inhibitor BMS-818251 in Complex with Human Antibodies 3H109L and 35O22 at 3.1 Angstrom
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 35O22 scFv heavy chain portion, ...
Authors:Lai, Y.-T, Kwong, P.D.
Deposit date:2018-10-22
Release date:2019-01-16
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.501 Å)
Cite:Lattice engineering enables definition of molecular features allowing for potent small-molecule inhibition of HIV-1 entry.
Nat Commun, 10, 2019
6MUG
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BU of 6mug by Molmil
Crystal Structure of HIV-1 B41 SOSIP.664 Prefusion Env Trimer Bound to Small Molecule HIV-1 Entry Inhibitor BMS-386150 in Complex with Human Antibodies 3H109L and 35O22 at 3.8 Angstrom
Descriptor: 1-[4-(benzenecarbonyl)piperazin-1-yl]-2-(4-bromo-7-fluoro-1H-indol-3-yl)ethane-1,2-dione, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Lai, Y.-T, Kwong, P.D.
Deposit date:2018-10-23
Release date:2019-01-16
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.954 Å)
Cite:Lattice engineering enables definition of molecular features allowing for potent small-molecule inhibition of HIV-1 entry.
Nat Commun, 10, 2019
6MTJ
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BU of 6mtj by Molmil
Crystal Structure of HIV-1 BG505 SOSIP.664 Prefusion Env Trimer Bound to Small Molecule HIV-1 Entry Inhibitor BMS-378806 in Complex with Human Antibodies 3H109L and 35O22 at 2.9 Angstrom
Descriptor: 1-[(2R)-4-(benzenecarbonyl)-2-methylpiperazin-1-yl]-2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Lai, Y.-T, Kwong, P.D.
Deposit date:2018-10-19
Release date:2019-01-16
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.336 Å)
Cite:Lattice engineering enables definition of molecular features allowing for potent small-molecule inhibition of HIV-1 entry.
Nat Commun, 10, 2019
6MUF
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BU of 6muf by Molmil
Crystal Structure of HIV-1 B41 SOSIP.664 Prefusion Env Trimer in Complex with Human Antibodies 3H109L and 35O22 at 3.4 Angstrom
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 35O22 scFv heavy chain portion, ...
Authors:Lai, Y.-T, Kwong, P.D.
Deposit date:2018-10-23
Release date:2019-01-16
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:Lattice engineering enables definition of molecular features allowing for potent small-molecule inhibition of HIV-1 entry.
Nat Commun, 10, 2019
6MTN
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BU of 6mtn by Molmil
Crystal Structure of HIV-1 BG505 SOSIP.664 Prefusion Env Trimer Bound to Small Molecule HIV-1 Entry Inhibitor Compound 484 in Complex with Human Antibodies 3H109L and 35O22 at 3.0 Angstrom
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 35O22 scFv heavy chain portion, ...
Authors:Lai, Y.-T, Kwong, P.D.
Deposit date:2018-10-20
Release date:2019-01-16
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Lattice engineering enables definition of molecular features allowing for potent small-molecule inhibition of HIV-1 entry.
Nat Commun, 10, 2019
6MU8
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BU of 6mu8 by Molmil
Crystal Structure of HIV-1 BG505 SOSIP.664 Prefusion Env Trimer Bound to Small Molecule HIV-1 Entry Inhibitor BMS-386150 in Complex with Human Antibodies 3H109L and 35O22 at 3.5 Angstrom
Descriptor: 1-[4-(benzenecarbonyl)piperazin-1-yl]-2-(4-bromo-7-fluoro-1H-indol-3-yl)ethane-1,2-dione, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Lai, Y.-T, Kwong, P.D.
Deposit date:2018-10-22
Release date:2019-01-16
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.993 Å)
Cite:Lattice engineering enables definition of molecular features allowing for potent small-molecule inhibition of HIV-1 entry.
Nat Commun, 10, 2019
3HFA
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BU of 3hfa by Molmil
Crystal Structure of Mycobacterium Tuberculosis Proteasome open-gate mutant
Descriptor: DIMETHYLFORMAMIDE, Proteasome (Alpha subunit) PrcA, Proteasome (Beta subunit) PrcB
Authors:Li, D, Li, H.
Deposit date:2009-05-11
Release date:2009-09-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.504 Å)
Cite:Inhibitors selective for mycobacterial versus human proteasomes.
Nature, 461, 2009
5XKF
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BU of 5xkf by Molmil
Crystal structure of T2R-TTL-MPC6827 complex
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ...
Authors:Wang, Y, Yang, J, Wang, T, Chen, L.
Deposit date:2017-05-07
Release date:2018-04-18
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Identification of a powerful and reversible microtubule-inhibitor with efficacy against multidrug-resistant tumors
To Be Published
5XKE
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BU of 5xke by Molmil
Crystal structure of T2R-TTL-Demecolcine complex
Descriptor: (7S)-1,2,3,10-tetramethoxy-7-(methylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Wang, Y, Yang, J, Wang, T, Chen, L.
Deposit date:2017-05-07
Release date:2018-07-04
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Identification of a powerful and reversible microtubule-inhibitor with efficacy against multidrug-resistant tumors
To Be Published

222926

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