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6W84
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K2P2.1 (TREK-1), 200 mM K+
Descriptor: CADMIUM ION, DODECANE, N-OCTANE, ...
Authors:Lolicato, M, Minor, D.L.
Deposit date:2020-03-20
Release date:2021-01-27
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:K 2P channel C-type gating involves asymmetric selectivity filter order-disorder transitions.
Sci Adv, 6, 2020
6W8A
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K2P2.1 (TREK-1):ML335 complex, 10 mM K+
Descriptor: CADMIUM ION, DODECANE, HEXADECANE, ...
Authors:Lolicato, M, Minor, D.L.
Deposit date:2020-03-20
Release date:2021-01-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.002 Å)
Cite:K 2P channel C-type gating involves asymmetric selectivity filter order-disorder transitions.
Sci Adv, 6, 2020
6W8F
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BU of 6w8f by Molmil
K2P2.1 (TREK-1):ML335 complex, 0 mM K+
Descriptor: CADMIUM ION, DODECANE, HEXADECANE, ...
Authors:Lolicato, M, Minor, D.L.
Deposit date:2020-03-20
Release date:2021-01-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:K 2P channel C-type gating involves asymmetric selectivity filter order-disorder transitions.
Sci Adv, 6, 2020
8VCW
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X-Ray Crystal Structure of the biotin synthase from B. obeum
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 6-(5-METHYL-2-OXO-IMIDAZOLIDIN-4-YL)-HEXANOIC ACID, Biotin synthase, ...
Authors:Lachowicz, J.C, Grove, T.L.
Deposit date:2023-12-14
Release date:2024-01-24
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Discovery of a Biotin Synthase That Utilizes an Auxiliary 4Fe-5S Cluster for Sulfur Insertion.
J.Am.Chem.Soc., 146, 2024
8VDW
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BU of 8vdw by Molmil
X-Ray Crystal Structure of the biotin synthase from V. parvula
Descriptor: 6-(5-METHYL-2-OXO-IMIDAZOLIDIN-4-YL)-HEXANOIC ACID, Biotin synthase, Fe4 H S5, ...
Authors:Lachowicz, J.C, Grove, T.L.
Deposit date:2023-12-18
Release date:2024-01-24
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.807 Å)
Cite:Discovery of a Biotin Synthase That Utilizes an Auxiliary 4Fe-5S Cluster for Sulfur Insertion.
J.Am.Chem.Soc., 146, 2024
6WJY
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BU of 6wjy by Molmil
HUMAN IDO1 IN COMPLEX WITH COMPOUND 4-A
Descriptor: 3-chloro-N-(3-{(2S)-1-[(4-fluorophenyl)amino]-1-oxopropan-2-yl}bicyclo[1.1.1]pentan-1-yl)benzamide, Indoleamine 2,3-dioxygenase 1
Authors:Lesburg, C.A, Lammens, A, Neumann, L.
Deposit date:2020-04-14
Release date:2020-08-26
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Discovery of Potent and Orally Available Bicyclo[1.1.1]pentane-Derived Indoleamine-2,3-dioxygenase 1 (IDO1) Inhibitors.
Acs Med.Chem.Lett., 11, 2020
6WBZ
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BU of 6wbz by Molmil
Structure of Human HDAC2 in complex with an ethyl ketone inhibitor containing a spiro-bicyclic group
Descriptor: (1S)-N-{(1S)-7,7-dihydroxy-1-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]nonyl}-6-ethyl-6-azaspiro[2.5]octane-1-carboxamide, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Klein, D.J, Yu, W.
Deposit date:2020-03-28
Release date:2020-05-06
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:Discovery of ethyl ketone-based HDACs 1, 2, and 3 selective inhibitors for HIV latency reactivation.
Bioorg.Med.Chem.Lett., 30, 2020
8UIP
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BU of 8uip by Molmil
Cryo-EM Structure of Human Ninjurin1 curved oligomer
Descriptor: Ninjurin-1
Authors:David, L, Wu, H.
Deposit date:2023-10-10
Release date:2024-05-01
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:NINJ1 mediates plasma membrane rupture by cutting and releasing membrane disks.
Cell, 187, 2024
8FV4
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BU of 8fv4 by Molmil
EGFR(T790M/V948R) in complex with compound 2 (LN5993)
Descriptor: Epidermal growth factor receptor, MAGNESIUM ION, N-{(3P)-3-[(4P)-4-(2-acetamidopyridin-4-yl)-2-(methylsulfanyl)-1H-imidazol-5-yl]phenyl}-11-oxo-10,11-dihydro-5H-dibenzo[b,e][1,4]diazepine-9-carboxamide, ...
Authors:Ogboo, B.C, Beyett, T.S, Eck, M.J, Heppner, D.E.
Deposit date:2023-01-18
Release date:2024-01-17
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Linking ATP and allosteric sites to achieve superadditive binding with bivalent EGFR kinase inhibitors.
Commun Chem, 7, 2024
8FV3
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BU of 8fv3 by Molmil
EGFR(T790M/V948R) in complex with compound 1 (LN4503)
Descriptor: Epidermal growth factor receptor, MAGNESIUM ION, N-{(4P)-4-[(4P)-5-{3-[(8-fluoro-11-oxo-5,11-dihydro-10H-dibenzo[b,e][1,4]diazepin-10-yl)methyl]phenyl}-2-(methylsulfanyl)-1H-imidazol-4-yl]pyridin-2-yl}acetamide, ...
Authors:Ogboo, B.C, Heppner, D.E.
Deposit date:2023-01-18
Release date:2024-01-17
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Linking ATP and allosteric sites to achieve superadditive binding with bivalent EGFR kinase inhibitors.
Commun Chem, 7, 2024
6RV6
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BU of 6rv6 by Molmil
Structure of properdin lacking TSR3 based on anomalous data
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Properdin, alpha-D-mannopyranose, ...
Authors:Pedersen, D.V, Andersen, G.R.
Deposit date:2019-05-31
Release date:2019-08-21
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3.507 Å)
Cite:Structural Basis for Properdin Oligomerization and Convertase Stimulation in the Human Complement System.
Front Immunol, 10, 2019
6VNX
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BU of 6vnx by Molmil
Crystal structure of TYK2 kinase with compound 19
Descriptor: (1S)-2,2-difluoro-N-[(1S,5R,6R)-3-{5-fluoro-2-[(1-methyl-1H-pyrazol-4-yl)amino]pyrimidin-4-yl}-6-methyl-3-azabicyclo[3.1.0]hexan-1-yl]cyclopropane-1-carboxamide, Non-receptor tyrosine-protein kinase TYK2
Authors:Vajdos, F.F.
Deposit date:2020-01-29
Release date:2020-04-08
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Design and optimization of a series of 4-(3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-2-amines: Dual inhibitors of TYK2 and JAK1.
Bioorg.Med.Chem., 28, 2020
8G8A
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BU of 8g8a by Molmil
Crystal structure of DH1317.8 Fab in complex with HIV proximal MPER peptide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, DH1317.8 heavy chain, DH1317.8 light chain, ...
Authors:Janus, B.M, Astavans, A, Ofek, G.
Deposit date:2023-02-17
Release date:2024-05-22
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Vaccine induction of heterologous HIV-1-neutralizing antibody B cell lineages in humans.
Cell, 187, 2024
8G8D
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BU of 8g8d by Molmil
Crystal structure of DH1346 Fab in complex with HIV proximal MPER peptide
Descriptor: DH1346 heavy chain, DH1346 light chain, FLUORIDE ION, ...
Authors:Niyongabo, A, Janus, B.M, Ofek, G.
Deposit date:2023-02-17
Release date:2024-05-22
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Vaccine induction of heterologous HIV-1-neutralizing antibody B cell lineages in humans.
Cell, 187, 2024
8GS2
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BU of 8gs2 by Molmil
Structure of the Cas7-11-Csx29-guide RNA-target RNA (non-matching PFS) complex
Descriptor: ADENOSINE MONOPHOSPHATE, CHAT domain-containing protein, CRISPR-associated RAMP family protein, ...
Authors:Kato, K, Okazaki, S, Ishikawa, J, Isayama, Y, Nishizawa, T, Nishimasu, H.
Deposit date:2022-09-04
Release date:2022-11-09
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (2.84 Å)
Cite:RNA-triggered protein cleavage and cell growth arrest by the type III-E CRISPR nuclease-protease.
Science, 378, 2022
3VZ7
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BU of 3vz7 by Molmil
Crystal Structure Analysis of the mini-chaperonin variant with Pro 187 Gly
Descriptor: 60 kDa chaperonin
Authors:Saijo, S, Sato, T.
Deposit date:2012-10-09
Release date:2013-11-13
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Binding Energy(BE) from Crystal Packing of Mini-chaperones (mcpn) Provided Insights into the Allosteric Interaction of GroEL/ES Complex
To be Published
8VJU
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BU of 8vju by Molmil
Structure of Human Neurolysin in complex with dynorphin A13 peptide
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Dynorphin A(1-13), ...
Authors:Shi, K, Aihara, H.
Deposit date:2024-01-08
Release date:2024-08-21
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Structural basis of divergent substrate recognition and inhibition of human neurolysin.
Sci Rep, 14, 2024
3VZ6
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BU of 3vz6 by Molmil
Crystal Structure Analysis of the Mini-chaperonines, variant with Gly 184 replaced with Ile and Leu 185 replaced Val and Val 186 replaced with Leu.
Descriptor: 60 kDa chaperonin
Authors:Saijo, S, Sato, T.
Deposit date:2012-10-09
Release date:2013-11-13
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Binding Energy(BE) from Crystal Packing of Mini-chaperones (mcpn) Provided Insights into the Allosteric Interaction of GroEL/ES Complex
To be Published
8VJV
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BU of 8vjv by Molmil
Structure of Human Neurolysin in complex with dynorphin A8(1-8) peptide
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Dynorphin A(1-8), ...
Authors:Shi, K, Aihara, H.
Deposit date:2024-01-08
Release date:2024-08-21
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Structural basis of divergent substrate recognition and inhibition of human neurolysin.
Sci Rep, 14, 2024
8VJW
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BU of 8vjw by Molmil
Structure of Human Neurolysin in complex with angiotensin I peptide
Descriptor: Angiotensin-1 peptide C-terminal end, Angiotensin-1 peptide N-terminal end, Neurolysin, ...
Authors:Shi, K, Aihara, H.
Deposit date:2024-01-08
Release date:2024-08-21
Last modified:2024-09-25
Method:X-RAY DIFFRACTION (2.491 Å)
Cite:Structural basis of divergent substrate recognition and inhibition of human neurolysin.
Sci Rep, 14, 2024
7K7Z
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BU of 7k7z by Molmil
Structure of a hit for G Protein Coupled Receptor Kinase 2 (GRK2) Inhibitor for the Potential Treatment of Heart Failure
Descriptor: 3-benzyl-7-(1H-pyrazol-4-yl)quinazolin-4(3H)-one, Beta-adrenergic receptor kinase 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Spurlino, J.C, Milligan, C.
Deposit date:2020-09-24
Release date:2020-10-28
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.606087 Å)
Cite:Hit-to-lead optimization and discovery of a potent, and orally bioavailable G protein coupled receptor kinase 2 (GRK2) inhibitor.
Bioorg.Med.Chem.Lett., 30, 2020
8GJ3
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BU of 8gj3 by Molmil
E. coli clamp loader on primed template DNA
Descriptor: ADENOSINE-5'-DIPHOSPHATE, DNA polymerase III subunit delta, DNA polymerase III subunit delta', ...
Authors:Oakley, A.J, Xu, Z.-Q, Dixon, N.E.
Deposit date:2023-03-14
Release date:2024-03-27
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structural characterisation of the complete cycle of sliding clamp loading in Escherichia coli.
Nat Commun, 15, 2024
8GJ1
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BU of 8gj1 by Molmil
E. coli clamp loader with open clamp on primed template DNA (form 2)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Beta sliding clamp, DNA polymerase III subunit delta, ...
Authors:Oakley, A.J, Xu, Z.-Q, Dixon, N.E.
Deposit date:2023-03-14
Release date:2024-03-27
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural characterisation of the complete cycle of sliding clamp loading in Escherichia coli.
Nat Commun, 15, 2024
8GIZ
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BU of 8giz by Molmil
E. coli clamp loader with open clamp
Descriptor: Beta sliding clamp, DNA polymerase III subunit delta, DNA polymerase III subunit delta', ...
Authors:Oakley, A.J, Xu, Z.-Q, Dixon, N.E.
Deposit date:2023-03-14
Release date:2024-03-27
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Structural characterisation of the complete cycle of sliding clamp loading in Escherichia coli.
Nat Commun, 15, 2024
8GIY
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BU of 8giy by Molmil
E. coli clamp loader with closed clamp
Descriptor: Beta sliding clamp, DNA polymerase III subunit delta, DNA polymerase III subunit delta', ...
Authors:Oakley, A.J, Xu, Z.-Q, Dixon, N.E.
Deposit date:2023-03-14
Release date:2024-03-27
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structural characterisation of the complete cycle of sliding clamp loading in Escherichia coli.
Nat Commun, 15, 2024

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PDB entries from 2024-10-30

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