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5RSA
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BU of 5rsa by Molmil
COMPARISON OF TWO INDEPENDENTLY REFINED MODELS OF RIBONUCLEASE-A
Descriptor: PHOSPHATE ION, RIBONUCLEASE A
Authors:Wlodawer, A.
Deposit date:1985-04-29
Release date:1985-07-17
Last modified:2023-03-15
Method:NEUTRON DIFFRACTION (2 Å), X-RAY DIFFRACTION
Cite:Comparison of Two Independently Refined Models of Ribonuclease-A
Acta Crystallogr.,Sect.B, 42, 1986
5UQ9
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BU of 5uq9 by Molmil
Crystal structure of 6-phosphogluconate dehydrogenase with ((4R,5R)-5-(hydroxycarbamoyl)-2,2-dimethyl-1,3-dioxolan-4-yl)methyl dihydrogen phosphate
Descriptor: 6-phosphogluconate dehydrogenase, decarboxylating, [(4R,5R)-5-(hydroxycarbamoyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl dihydrogen phosphate
Authors:Leonard, P.G.
Deposit date:2017-02-07
Release date:2018-08-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3 Å)
Cite:Functional Genomics Reveals Synthetic Lethality between Phosphogluconate Dehydrogenase and Oxidative Phosphorylation.
Cell Rep, 26, 2019
6PLG
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BU of 6plg by Molmil
Crystal structure of human PHGDH complexed with Compound 15
Descriptor: (2S)-(4-{3-[(4,5-dichloro-1-methyl-1H-indole-2-carbonyl)amino]oxetan-3-yl}phenyl)(pyridin-3-yl)acetic acid, D-3-phosphoglycerate dehydrogenase, D-MALATE
Authors:Olland, A, Lakshminarasimhan, D, White, A, Suto, R.K.
Deposit date:2019-06-30
Release date:2019-07-24
Last modified:2019-09-04
Method:X-RAY DIFFRACTION (2.93 Å)
Cite:Inhibition of 3-phosphoglycerate dehydrogenase (PHGDH) by indole amides abrogates de novo serine synthesis in cancer cells.
Bioorg.Med.Chem.Lett., 29, 2019
6PLF
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BU of 6plf by Molmil
Crystal structure of human PHGDH complexed with Compound 1
Descriptor: 1,2-ETHANEDIOL, 4-{(1S)-1-[(5-chloro-6-{[(5S)-2-oxo-1,3-oxazolidin-5-yl]methoxy}-1H-indole-2-carbonyl)amino]-2-hydroxyethyl}benzoic acid, D-3-phosphoglycerate dehydrogenase
Authors:Olland, A, Lakshminarasimhan, D, White, A, Suto, R.K.
Deposit date:2019-06-30
Release date:2019-07-24
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Inhibition of 3-phosphoglycerate dehydrogenase (PHGDH) by indole amides abrogates de novo serine synthesis in cancer cells.
Bioorg.Med.Chem.Lett., 29, 2019
7HVP
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BU of 7hvp by Molmil
X-RAY CRYSTALLOGRAPHIC STRUCTURE OF A COMPLEX BETWEEN A SYNTHETIC PROTEASE OF HUMAN IMMUNODEFICIENCY VIRUS 1 AND A SUBSTRATE-BASED HYDROXYETHYLAMINE INHIBITOR
Descriptor: HIV-1 PROTEASE, INHIBITOR ACE-SER-LEU-ASN-PHE-PSI(CH(OH)-CH2N)-PRO-ILE VME (JG-365)
Authors:Swain, A.L, Miller, M.M, Green, J, Rich, D.H, Schneider, J, Kent, S.B.H, Wlodawer, A.
Deposit date:1990-09-13
Release date:1993-07-15
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:X-ray crystallographic structure of a complex between a synthetic protease of human immunodeficiency virus 1 and a substrate-based hydroxyethylamine inhibitor.
Proc.Natl.Acad.Sci.USA, 87, 1990
1RUV
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BU of 1ruv by Molmil
RIBONUCLEASE A-URIDINE VANADATE COMPLEX: HIGH RESOLUTION RESOLUTION X-RAY STRUCTURE (1.3 A)
Descriptor: RIBONUCLEASE A, TERTIARY-BUTYL ALCOHOL, URIDINE-2',3'-VANADATE
Authors:Ladner, J.E, Wladkowski, B, Svensson, L.A, Sjolin, L, Gilliland, G.L.
Deposit date:1995-07-27
Release date:1997-04-01
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:X-ray structure of a ribonuclease A-uridine vanadate complex at 1.3 A resolution.
Acta Crystallogr.,Sect.D, 53, 1997
5IVQ
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BU of 5ivq by Molmil
Crystal Structure of HIV Protease complexed with methyl N-[(1S)-1-benzhydryl-2-(3-morpholin-4-ium-2-ylpropylamino)-2-oxo-ethyl]carbamate
Descriptor: CHLORIDE ION, Nalpha-(methoxycarbonyl)-N-{3-[(2R)-morpholin-2-yl]propyl}-beta-phenyl-L-phenylalaninamide, Protease
Authors:Su, H.P.
Deposit date:2016-03-21
Release date:2016-05-18
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Discovery of MK-8718, an HIV Protease Inhibitor Containing a Novel Morpholine Aspartate Binding Group.
Acs Med.Chem.Lett., 7, 2016
8COJ
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BU of 8coj by Molmil
Crystal structure of human soluble adenylyl cyclase catalytic domain in complex with the inhibitor TDI-10228
Descriptor: 1,2-ETHANEDIOL, 4-chloranyl-6-[4-[(3-fluorophenyl)methyl]-1-methyl-pyrazol-3-yl]pyrimidin-2-amine, ACETATE ION, ...
Authors:Steegborn, C, Fushimi, M.
Deposit date:2023-02-28
Release date:2023-04-26
Last modified:2023-05-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Scaffold Hopping and Optimization of Small Molecule Soluble Adenyl Cyclase Inhibitors Led by Free Energy Perturbation.
J.Chem.Inf.Model., 63, 2023
8COT
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BU of 8cot by Molmil
Complex of human soluble adenylyl cyclase 10 catalytic core with inhibitor TDI-10962
Descriptor: 1,2-ETHANEDIOL, 2-(dimethylamino)ethyl 5-(2-azanyl-6-chloranyl-pyrimidin-4-yl)-2-methyl-4-(phenylmethyl)pyrazole-3-carboxylate, ACETATE ION, ...
Authors:Steegborn, C, Fushimi, M.
Deposit date:2023-02-28
Release date:2023-04-26
Last modified:2023-05-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Scaffold Hopping and Optimization of Small Molecule Soluble Adenyl Cyclase Inhibitors Led by Free Energy Perturbation.
J.Chem.Inf.Model., 63, 2023
5IVS
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BU of 5ivs by Molmil
Crystal Structure of HIV Protease complexed with methyl N-[(1S)-1-benzhydryl-2-[2-[2-[(2R,5S)-5-(benzylcarbamoyloxymethyl)morpholin-2-yl]ethyl]anilino]-2-oxo-ethyl]carbamate
Descriptor: CHLORIDE ION, N-(2-{2-[(2R,5S)-5-{[(benzylcarbamoyl)oxy]methyl}morpholin-2-yl]ethyl}phenyl)-Nalpha-(methoxycarbonyl)-beta-phenyl-L-phenylalaninamide, Protease
Authors:Su, H.P.
Deposit date:2016-03-21
Release date:2016-05-18
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Discovery of MK-8718, an HIV Protease Inhibitor Containing a Novel Morpholine Aspartate Binding Group.
Acs Med.Chem.Lett., 7, 2016
6NDT
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BU of 6ndt by Molmil
Dehydroalanine intermediate of the FlgE D2 domain
Descriptor: Flagellar hook protein FlgE
Authors:Lynch, M.J, Crane, B.R.
Deposit date:2018-12-14
Release date:2019-08-14
Last modified:2019-12-18
Method:X-RAY DIFFRACTION (1.424 Å)
Cite:Structure and chemistry of lysinoalanine crosslinking in the spirochaete flagella hook.
Nat.Chem.Biol., 15, 2019
6NDX
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BU of 6ndx by Molmil
Lysinoalanine cross-linked FlgE dimer from Treponema denticola
Descriptor: Flagellar hook protein FlgE
Authors:Lynch, M.J, Crane, B.R.
Deposit date:2018-12-14
Release date:2019-08-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.04 Å)
Cite:Structure and chemistry of lysinoalanine crosslinking in the spirochaete flagella hook.
Nat.Chem.Biol., 15, 2019
6NDV
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BU of 6ndv by Molmil
FlgE D2 domain K336A mutant
Descriptor: Flagellar hook protein FlgE
Authors:Lynch, M.J, Crane, B.R.
Deposit date:2018-12-14
Release date:2019-08-21
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.502 Å)
Cite:Structure and chemistry of lysinoalanine crosslinking in the spirochaete flagella hook.
Nat.Chem.Biol., 15, 2019
6NDW
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BU of 6ndw by Molmil
Crystal structure of the wild type D2 domain (A168-T344) of the flagellar hook protein FlgE from Treponema denticola
Descriptor: Flagellar hook protein FlgE
Authors:Lynch, M.J, Crane, B.R.
Deposit date:2018-12-14
Release date:2019-08-14
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.725 Å)
Cite:Structure and chemistry of lysinoalanine crosslinking in the spirochaete flagella hook.
Nat.Chem.Biol., 15, 2019
5IVT
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BU of 5ivt by Molmil
Crystal Structure of HIV Protease complexed with [(1S)-1-[(S)-(4-chlorophenyl)-(3,5-difluorophenyl)methyl]-2-[[5-fluoro-4-[2-[(2R,5S)-5-(2,2,2-trifluoroethylcarbamoyloxymethyl)morpholin-4-ium-2-yl]ethyl]pyridin-1-ium-3-yl]amino]-2-oxo-ethyl]ammonium
Descriptor: (betaS)-4-chloro-beta-(3,5-difluorophenyl)-N-(5-fluoro-4-{2-[(2R,5S)-5-({[(2,2,2-trifluoroethyl)carbamoyl]oxy}methyl)morpholin-2-yl]ethyl}pyridin-3-yl)-L-phenylalaninamide, ACETATE ION, CHLORIDE ION, ...
Authors:Su, H.P.
Deposit date:2016-03-21
Release date:2016-05-18
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Discovery of MK-8718, an HIV Protease Inhibitor Containing a Novel Morpholine Aspartate Binding Group.
Acs Med.Chem.Lett., 7, 2016
5IVR
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BU of 5ivr by Molmil
Crystal Structure of HIV Protease complexed with methyl N-[(1S)-1-[[2-[(3S)-3-[(4-aminophenyl)methylamino]-4-hydroxy-butyl]phenyl]carbamoyl]-2,2-diphenyl-ethyl]carbamate
Descriptor: CHLORIDE ION, N-{2-[(3S)-3-{[(4-aminophenyl)methyl]amino}-4-hydroxybutyl]phenyl}-Nalpha-(methoxycarbonyl)-beta-phenyl-L-phenylalaninamide, Protease
Authors:Su, H.P.
Deposit date:2016-03-21
Release date:2016-05-18
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Discovery of MK-8718, an HIV Protease Inhibitor Containing a Novel Morpholine Aspartate Binding Group.
Acs Med.Chem.Lett., 7, 2016
8CNH
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BU of 8cnh by Molmil
Crystal structure of human soluble adenylyl cyclase (sAC) in complex with inhibitor TDI-10512
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Adenylate cyclase type 10, ...
Authors:Steegborn, C.
Deposit date:2023-02-23
Release date:2023-04-26
Last modified:2023-05-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Scaffold Hopping and Optimization of Small Molecule Soluble Adenyl Cyclase Inhibitors Led by Free Energy Perturbation.
J.Chem.Inf.Model., 63, 2023
8CO7
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BU of 8co7 by Molmil
Crystal structure of human soluble adenylyl cyclase (sAC) in complex with inhibitor TDI-09066
Descriptor: 1,2-ETHANEDIOL, 4-chloranyl-6-[1-methyl-4-(thiophen-2-ylmethyl)pyrazol-3-yl]pyrimidin-2-amine, ACETATE ION, ...
Authors:Steegborn, C.
Deposit date:2023-02-27
Release date:2024-01-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Scaffold Hopping and Optimization of Small Molecule Soluble Adenyl Cyclase Inhibitors Led by Free Energy Perturbation.
J.Chem.Inf.Model., 63, 2023
8RSA
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BU of 8rsa by Molmil
CRYSTAL STRUCTURE OF TWO COVALENT NUCLEOSIDE DERIVATIVES OF RIBONUCLEASE A
Descriptor: 3'-DEOXY-3'-ACETAMIDO-THYMIDINE, RIBONUCLEASE A
Authors:Nachman, J, Wlodawer, A.
Deposit date:1989-08-28
Release date:1991-04-15
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of two covalent nucleoside derivatives of ribonuclease A.
Biochemistry, 29, 1990
1HG0
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BU of 1hg0 by Molmil
X-ray structure of the complex between Erwinia chrysanthemi L-asparaginase and succinic acid
Descriptor: L-ASPARAGINASE, SUCCINIC ACID
Authors:Lubkowski, J, Wlodawer, A, Kolyani, K.A.
Deposit date:2000-12-08
Release date:2001-08-07
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Stuctural Basis for the Activity and Substrate Specificity of Erwinia Chrysanthemi L-Asparaginase
Biochemistry, 40, 2001
1HFW
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BU of 1hfw by Molmil
X-ray structure of the complex between Erwinia chrysanthemi L-asparaginase and L-Glutamate
Descriptor: GLUTAMIC ACID, L-ASPARAGINASE
Authors:Lubkowski, J, Wlodawer, A, Kolyani, K.A.
Deposit date:2000-12-08
Release date:2001-08-07
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Stuctural Basis for the Activity and Substrate Specificity of Erwinia Chrysanthemi L-Asparaginase
Biochemistry, 40, 2001
1HG1
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BU of 1hg1 by Molmil
X-ray structure of the complex between Erwinia chrysanthemi L-asparaginase and D-aspartate
Descriptor: D-ASPARTIC ACID, L-ASPARAGINASE
Authors:Lubkowski, J, Wlodawer, A, Kolyani, K.A.
Deposit date:2000-12-08
Release date:2001-08-07
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Stuctural Basis for the Activity and Substrate Specificity of Erwinia Chrysanthemi L-Asparaginase
Biochemistry, 40, 2001
3CB5
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BU of 3cb5 by Molmil
Crystal Structure of the S. pombe Peptidase Homology Domain of FACT complex subunit Spt16 (form A)
Descriptor: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FACT complex subunit spt16
Authors:Stuwe, T, Hothorn, M, Lejeune, E, Bortfeld-Miller, M, Scheffzek, K, Ladurner, A.G.
Deposit date:2008-02-21
Release date:2008-06-17
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:The FACT Spt16 "peptidase" domain is a histone H3-H4 binding module
Proc.Natl.Acad.Sci.USA, 105, 2008
3CB6
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BU of 3cb6 by Molmil
Crystal Structure of the S. pombe Peptidase Homology Domain of FACT complex subunit Spt16 (form B)
Descriptor: FACT complex subunit spt16
Authors:Stuwe, T, Hothorn, M, Lejeune, E, Bortfeld-Miller, M, Scheffzek, K, Ladurner, A.G.
Deposit date:2008-02-21
Release date:2008-06-17
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:The FACT Spt16 "peptidase" domain is a histone H3-H4 binding module
Proc.Natl.Acad.Sci.USA, 105, 2008
1RTA
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BU of 1rta by Molmil
CRYSTAL STRUCTURE DISPOSITION OF THYMIDYLIC ACID TETRAMER IN COMPLEX WITH RIBONUCLEASE A
Descriptor: DNA (5'-D(*TP*TP*TP*T)-3'), PROTEIN (RIBONUCLEASE A (E.C.3.1.27.5))
Authors:Birdsall, D.L, McPherson, A.
Deposit date:1992-08-28
Release date:1993-10-31
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure disposition of thymidylic acid tetramer in complex with ribonuclease A.
J.Biol.Chem., 267, 1992

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