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8TBN
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BU of 8tbn by Molmil
Tricomplex of RMC-7977, KRAS G12S, and CypA
Descriptor: (1R,5S,6r)-N-[(1P,7S,9S,13S,20M)-20-{5-(4-cyclopropylpiperazin-1-yl)-2-[(1S)-1-methoxyethyl]pyridin-3-yl}-21-ethyl-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide, GTPase KRas, MAGNESIUM ION, ...
Authors:Tomlinson, A.C.A, Chen, A, Knox, J.E, Yano, J.K.
Deposit date:2023-06-28
Release date:2024-02-07
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Concurrent inhibition of oncogenic and wild-type RAS-GTP for cancer therapy.
Nature, 629, 2024
1JLD
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BU of 1jld by Molmil
Potent hiv protease inhibitors containing a novel (hydroxyethyl)amide isostere
Descriptor: (2S)-2-tert-butyl-N~4~-(1-ethylpropyl)-N~1~-[(2R,3S)-2-hydroxy-4-phenyl-3-{[N-(quinolin-2-ylcarbonyl)-L-threonyl]amino}butyl]butanediamide, Pol polyprotein
Authors:Tong, L.
Deposit date:1997-05-31
Release date:1997-12-03
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Potent HIV protease inhibitors containing a novel (hydroxyethyl)amide isostere.
J.Med.Chem., 40, 1997
8R3Z
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BU of 8r3z by Molmil
Cryo-EM structure of the Asgard archaeal Argonaute HrAgo1 bound to a guide RNA
Descriptor: HrAgo1, MAGNESIUM ION, RNA (5'-R(P*UP*GP*AP*GP*GP*U*(MG))-3')
Authors:Finocchio, G, Swarts, D, Jinek, M.
Deposit date:2023-11-10
Release date:2024-06-19
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:RNA-guided RNA silencing by an Asgard archaeal Argonaute.
Nat Commun, 15, 2024
1BIM
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BU of 1bim by Molmil
CRYSTALLOGRAPHIC STUDIES ON THE BINDING MODES OF P2-P3 BUTANEDIAMIDE RENIN INHIBITORS
Descriptor: (2S)-2-[(2-amino-1,3-thiazol-4-yl)methyl]-N~1~-{(1S,2S)-1-(cyclohexylmethyl)-2-hydroxy-2-[(3R)-1,5,5-trimethyl-2-oxopyrrolidin-3-yl]ethyl}-N~4~-[2-(dimethylamino)-2-oxoethyl]-N~4~-[(1S)-1-phenylethyl]butanediamide, Renin
Authors:Tong, L.
Deposit date:1995-09-27
Release date:1996-01-29
Last modified:2022-03-09
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystallographic studies on the binding modes of P2-P3 butanediamide renin inhibitors.
J.Biol.Chem., 270, 1995
1BIL
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BU of 1bil by Molmil
CRYSTALLOGRAPHIC STUDIES ON THE BINDING MODES OF P2-P3 BUTANEDIAMIDE RENIN INHIBITORS
Descriptor: (2S)-2-[(2-amino-1,3-thiazol-4-yl)methyl]-N~1~-[(1S,2R,3R)-1-(cyclohexylmethyl)-2,3-dihydroxy-5-methylhexyl]-N~4~-[2-(d imethylamino)-2-oxoethyl]-N~4~-[(1S)-1-phenylethyl]butanediamide, Renin
Authors:Tong, L.
Deposit date:1995-09-27
Release date:1996-01-29
Last modified:2022-03-09
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystallographic studies on the binding modes of P2-P3 butanediamide renin inhibitors.
J.Biol.Chem., 270, 1995
1HRN
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BU of 1hrn by Molmil
HIGH RESOLUTION CRYSTAL STRUCTURES OF RECOMBINANT HUMAN RENIN IN COMPLEX WITH POLYHYDROXYMONOAMIDE INHIBITORS
Descriptor: (2R,4S,5S)-N-[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]-2-(cyclopropylmethyl)-4,5-dihydroxy-6-phenylhexanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, RENIN
Authors:Tong, L, Anderson, P.C.
Deposit date:1995-03-31
Release date:1995-06-03
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:High resolution crystal structures of recombinant human renin in complex with polyhydroxymonoamide inhibitors.
J.Mol.Biol., 250, 1995
3MF3
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BU of 3mf3 by Molmil
Cobalt(II)-Substituted Haemophilus influenzae B-Carbonic Anhydrase
Descriptor: ACETATE ION, COBALT (II) ION, Carbonic anhydrase 2
Authors:Hoffmann, K.M, Rowlett, R.S.
Deposit date:2010-04-01
Release date:2011-04-20
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The Structure and Properties of Cobalt(II)-Substituted Haemophilus influenzae B-Carbonic Anhydrase.
To be Published
3E3F
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BU of 3e3f by Molmil
H. influenzae beta-carbonic anhydrase, variant V47A with 100 mM bicarbonate
Descriptor: BICARBONATE ION, Carbonic anhydrase 2, ZINC ION
Authors:Rowlett, R.S, Mysliwiec, M.
Deposit date:2008-08-07
Release date:2009-08-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Evidence for a bicarbonate "escort" site in Haemophilus influenzae beta-carbonic anhydrase .
Biochemistry, 49, 2010
3E3G
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BU of 3e3g by Molmil
H. influenzae beta-carbonic anhydrase, variant G41A
Descriptor: Carbonic anhydrase 2, SULFATE ION, ZINC ION
Authors:Rowlett, R.S, Failing, H.
Deposit date:2008-08-07
Release date:2009-08-18
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Evidence for a bicarbonate "escort" site in Haemophilus influenzae beta-carbonic anhydrase .
Biochemistry, 49, 2010
3E2X
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BU of 3e2x by Molmil
H. influenzae beta-carbonic anhydrase, variant V47A
Descriptor: Carbonic anhydrase 2, SULFATE ION, ZINC ION
Authors:Rowlett, R.S, Lee, J.
Deposit date:2008-08-06
Release date:2009-08-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Evidence for a bicarbonate "escort" site in Haemophilus influenzae beta-carbonic anhydrase .
Biochemistry, 49, 2010
3E3I
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BU of 3e3i by Molmil
H. influenzae beta-carbonic anhydrase, variant G41A with 100 mM bicarbonate
Descriptor: BICARBONATE ION, Carbonic anhydrase 2, SULFATE ION, ...
Authors:Rowlett, R.S, Failing, H.
Deposit date:2008-08-07
Release date:2009-08-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Evidence for a bicarbonate "escort" site in Haemophilus influenzae beta-carbonic anhydrase .
Biochemistry, 49, 2010
3E31
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BU of 3e31 by Molmil
H. influenzae beta-carbonic anhydrase, variant V47A
Descriptor: Carbonic anhydrase 2, ZINC ION
Authors:Rowlett, R.S, Lee, J.
Deposit date:2008-08-05
Release date:2009-08-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Evidence for a bicarbonate "escort" site in Haemophilus influenzae beta-carbonic anhydrase .
Biochemistry, 49, 2010
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