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3ZXH
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BU of 3zxh by Molmil
MMP-13 complexed with 2-Napthylsulfonamide hydroxamic acid inhibitor
Descriptor: CALCIUM ION, COLLAGENASE 3, GLYCEROL, ...
Authors:Clark, K.L, Kulathila, R.
Deposit date:2011-08-10
Release date:2011-10-19
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Potent and Selective 2-Naphthylsulfonamide Substituted Hydroxamic Acid Inhibitors of Matrix Metalloproteinase-13.
Bioorg.Med.Chem.Lett., 21, 2011
7LJE
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BU of 7lje by Molmil
Discovery of Spirohydantoins as Selective, Orally Bioavailable Inhibitors of p300/CBP Histone Acetyltransferases
Descriptor: 2-[4-[(3'R,4S)-3'-fluoro-1-[2-[(4-fluorophenyl)methyl-[(1S)-2,2,2-trifluoro-1-methyl-ethyl]amino]-2-oxo-ethyl]-2,5-dioxo-spiro[imidazolidine-4,1'-indane]-5'-yl]pyrazol-1-yl]-N-methyl-acetamide, Histone acetyltransferase p300
Authors:Jakob, C.G.
Deposit date:2021-01-29
Release date:2021-03-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.607 Å)
Cite:Discovery of spirohydantoins as selective, orally bioavailable inhibitors of p300/CBP histone acetyltransferases.
Bioorg.Med.Chem.Lett., 39, 2021
9GSS
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BU of 9gss by Molmil
HUMAN GLUTATHIONE S-TRANSFERASE P1-1, COMPLEX WITH S-HEXYL GLUTATHIONE
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLUTATHIONE S-TRANSFERASE P1-1, S-HEXYLGLUTATHIONE, ...
Authors:Oakley, A, Parker, M.
Deposit date:1997-08-14
Release date:1998-09-16
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:The structures of human glutathione transferase P1-1 in complex with glutathione and various inhibitors at high resolution.
J.Mol.Biol., 274, 1997
8GSS
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BU of 8gss by Molmil
Human glutathione S-transferase P1-1, complex with glutathione
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLUTATHIONE, GLUTATHIONE S-TRANSFERASE P1-1, ...
Authors:Oakley, A, Parker, M.
Deposit date:1997-08-14
Release date:1998-09-16
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The structures of human glutathione transferase P1-1 in complex with glutathione and various inhibitors at high resolution.
J.Mol.Biol., 274, 1997
3ELM
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BU of 3elm by Molmil
Crystal Structure of MMP-13 Complexed with Inhibitor 24f
Descriptor: (2R)-({[5-(4-ethoxyphenyl)thiophen-2-yl]sulfonyl}amino){1-[(1-methylethoxy)carbonyl]piperidin-4-yl}ethanoic acid, CALCIUM ION, Collagenase 3, ...
Authors:Kulathila, R, Monovich, L, Koehn, J.
Deposit date:2008-09-22
Release date:2009-07-21
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of potent, selective, and orally active carboxylic acid based inhibitors of matrix metalloproteinase-13
J.Med.Chem., 52, 2009
4ZVV
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BU of 4zvv by Molmil
Lactate dehydrogenase A in complex with a trisubstituted piperidine-2,4-dione inhibitor GNE-140
Descriptor: (2~{R})-5-(2-chlorophenyl)sulfanyl-2-(4-morpholin-4-ylphenyl)-4-oxidanyl-2-thiophen-3-yl-1,3-dihydropyridin-6-one, L-lactate dehydrogenase A chain, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Li, Y, Chen, Z, Eigenbrot, C.
Deposit date:2015-05-18
Release date:2016-05-18
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Metabolic plasticity underpins innate and acquired resistance to LDHA inhibition.
Nat.Chem.Biol., 12, 2016
3PUP
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BU of 3pup by Molmil
Structure of Glycogen Synthase Kinase 3 beta (GSK3B) in complex with a ruthenium octasporine ligand (OS1)
Descriptor: Glycogen synthase kinase-3 beta, Ruthenium octasporine
Authors:Filippakopoulos, P, Kraling, K, Essen, L.O, Meggers, E, Knapp, S.
Deposit date:2010-12-06
Release date:2010-12-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.99 Å)
Cite:Structurally sophisticated octahedral metal complexes as highly selective protein kinase inhibitors.
J.Am.Chem.Soc., 133, 2011
6R99
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BU of 6r99 by Molmil
Crystal Structure of Human CLN protein 5 (Ceroid Lipofuscinosis Neuronal Protein 5)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ceroid-lipofuscinosis neuronal protein 5, ...
Authors:Luebben, A.V, Sheldrick, G.M.
Deposit date:2019-04-03
Release date:2020-04-22
Last modified:2022-09-28
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Cln5 represents a new type of cysteine-based S -depalmitoylase linked to neurodegeneration.
Sci Adv, 8, 2022
1BD8
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BU of 1bd8 by Molmil
STRUCTURE OF CDK INHIBITOR P19INK4D
Descriptor: P19INK4D CDK4/6 INHIBITOR
Authors:Baumgartner, R, Fernandez-Catalan, C, Winoto, A, Huber, R, Engh, R, Holak, T.A.
Deposit date:1998-05-12
Release date:1998-10-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of human cyclin-dependent kinase inhibitor p19INK4d: comparison to known ankyrin-repeat-containing structures and implications for the dysfunction of tumor suppressor p16INK4a.
Structure, 6, 1998
1BIP
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BU of 1bip by Molmil
BIFUNCTIONAL PROTEINASE INHIBITOR TRYPSIN/A-AMYLASE FROM SEEDS OF RAGI (ELEUSINE CORACANA GAERTNERI)
Descriptor: ALPHA-AMYLASE/TRYPSIN INHIBITOR
Authors:Strobl, S, Muehlhahn, P, Holak, T.
Deposit date:1995-03-31
Release date:1995-07-10
Last modified:2017-11-29
Method:SOLUTION NMR
Cite:Determination of the three-dimensional structure of the bifunctional alpha-amylase/trypsin inhibitor from ragi seeds by NMR spectroscopy.
Biochemistry, 34, 1995
8G5C
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BU of 8g5c by Molmil
Structure of ACLY-D1026A-substrates, local refinement of ASH domain
Descriptor: (3S)-citryl-Coenzyme A, ADENOSINE-5'-DIPHOSPHATE, ATP-citrate synthase, ...
Authors:Xuepeng, W, Ronen, M.
Deposit date:2023-02-12
Release date:2023-05-10
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.2 Å)
Cite:Allosteric role of the citrate synthase homology domain of ATP citrate lyase.
Nat Commun, 14, 2023
8GHN
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BU of 8ghn by Molmil
Composite model of the yeast Hir Complex with Asf1/H3/H4
Descriptor: Histone H3, Histone H4, Histone chaperone, ...
Authors:Kim, H.J, Murakami, K.
Deposit date:2023-03-10
Release date:2024-07-17
Method:ELECTRON MICROSCOPY (2.96 Å)
Cite:Structure of the Hir histone chaperone complex.
Mol.Cell, 2024
8GHL
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BU of 8ghl by Molmil
the Hir complex core
Descriptor: Histone transcription regulator 3, Protein HIR1, Protein HIR2
Authors:Kim, H.J, Murakami, K.
Deposit date:2023-03-10
Release date:2024-07-17
Method:ELECTRON MICROSCOPY (2.96 Å)
Cite:Structure of the Hir histone chaperone complex.
Mol.Cell, 2024
8GHA
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BU of 8gha by Molmil
Hir3 Arm/Tail, Hir2 WD40, C-terminal Hpc2
Descriptor: Histone promoter control protein 2, Histone transcription regulator 3, Protein HIR2
Authors:Kim, H.J, Murakami, K.
Deposit date:2023-03-09
Release date:2024-07-10
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (6.8 Å)
Cite:Structure of the Hir histone chaperone complex.
Mol.Cell, 2024
8GHM
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BU of 8ghm by Molmil
Hir1 WD40 domains and Asf1/H3/H4
Descriptor: Histone H3, Histone H4, Histone chaperone, ...
Authors:Kim, H.J, Murakami, K.
Deposit date:2023-03-10
Release date:2024-07-10
Method:ELECTRON MICROSCOPY (12 Å)
Cite:Structure of the Hir histone chaperone complex.
Mol.Cell, 2024
4KVO
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BU of 4kvo by Molmil
The NatA (Naa10p/Naa15p) amino-terminal acetyltrasferase complex bound to AcCoA
Descriptor: ACETYL COENZYME *A, CHLORIDE ION, N-terminal acetyltransferase A complex catalytic subunit ard1, ...
Authors:Liszczak, G.P, Marmorstein, R.Q.
Deposit date:2013-05-22
Release date:2013-07-31
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Molecular basis for N-terminal acetylation by the heterodimeric NatA complex.
Nat.Struct.Mol.Biol., 20, 2013
4KVM
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BU of 4kvm by Molmil
The NatA (Naa10p/Naa15p) amino-terminal acetyltransferase complex bound to a bisubstrate analog
Descriptor: CHLORIDE ION, N-terminal acetyltransferase A complex catalytic subunit ard1, N-terminal acetyltransferase A complex subunit nat1, ...
Authors:Liszczak, G.P, Marmorstein, R.Q.
Deposit date:2013-05-22
Release date:2013-07-31
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.597 Å)
Cite:Molecular basis for N-terminal acetylation by the heterodimeric NatA complex.
Nat.Struct.Mol.Biol., 20, 2013
4KVX
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BU of 4kvx by Molmil
Crystal structure of Naa10 (Ard1) bound to AcCoA
Descriptor: ACETYL COENZYME *A, N-terminal acetyltransferase A complex catalytic subunit ard1
Authors:Liszczak, G.P, Marmorstein, R.Q.
Deposit date:2013-05-23
Release date:2013-07-31
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Molecular basis for N-terminal acetylation by the heterodimeric NatA complex.
Nat.Struct.Mol.Biol., 20, 2013
5CMC
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BU of 5cmc by Molmil
Mnemiopsis leidyi ML032222a iGluR LBD E423S mutant glycine complex
Descriptor: GLYCINE, MAGNESIUM ION, ML032222a iGluR, ...
Authors:Mayer, M.L, Thomas, A.
Deposit date:2015-07-16
Release date:2016-07-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:Molecular lock regulates binding of glycine to a primitive NMDA receptor.
Proc.Natl.Acad.Sci.USA, 113, 2016
5CMB
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BU of 5cmb by Molmil
Mnemiopsis leidyi ML032222a iGluR LBD R703K mutant glycine complex
Descriptor: GLYCINE, MAGNESIUM ION, ML032222a iGluR, ...
Authors:Mayer, M.L, Thomas, A.
Deposit date:2015-07-16
Release date:2016-07-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Molecular lock regulates binding of glycine to a primitive NMDA receptor.
Proc.Natl.Acad.Sci.USA, 113, 2016
8V0F
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BU of 8v0f by Molmil
Cryo-EM structure of the unliganded hexameric prenyltransferase in bifunctional copalyl diphosphate synthase from Penicillium fellutanum with an open conformation
Descriptor: Copalyl diphosphate synthase
Authors:Gaynes, M.N, Christianson, D.W.
Deposit date:2023-11-17
Release date:2024-01-17
Last modified:2024-01-24
Method:ELECTRON MICROSCOPY (2.81 Å)
Cite:Structure of the prenyltransferase in bifunctional copalyl diphosphate synthase from Penicillium fellutanum reveals an open hexamer conformation.
J.Struct.Biol., 216, 2024
4PGT
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BU of 4pgt by Molmil
CRYSTAL STRUCTURE OF HGSTP1-1[V104] COMPLEXED WITH THE GSH CONJUGATE OF (+)-ANTI-BPDE
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-AMINO-4-[1-(CARBOXYMETHYL-CARBAMOYL)-2-(9-HYDROXY-7,8-DIOXO-7,8,9,10-TETRAHYDRO-BENZO[DEF]CHRYSEN-10-YLSULFANYL)-ETHYLCARBAMOYL]-BUTYRIC ACID, PROTEIN (GLUTATHIONE S-TRANSFERASE), ...
Authors:Ji, X, Blaszczyk, J.
Deposit date:1999-03-22
Release date:1999-09-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure and function of residue 104 and water molecules in the xenobiotic substrate-binding site in human glutathione S-transferase P1-1.
Biochemistry, 38, 1999
5V5X
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BU of 5v5x by Molmil
Protocadherin gammaB7 EC3-6 cis-dimer structure
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Goodman, K.M, Mannepalli, S, Bahna, F, Honig, B, Shapiro, L.
Deposit date:2017-03-15
Release date:2017-11-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Protocadherin cis-dimer architecture and recognition unit diversity.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
2GSR
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BU of 2gsr by Molmil
Structure of porcine class pi glutathione s-transferase
Descriptor: CLASS PI GST GLUTATHIONE S-TRANSFERASE, GLUTATHIONE SULFONIC ACID
Authors:Reinemer, P, Dirr, H.W, Huber, R.
Deposit date:1996-03-21
Release date:1996-11-08
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Refined crystal structure of porcine class Pi glutathione S-transferase (pGST P1-1) at 2.1 A resolution.
J.Mol.Biol., 243, 1994
5YJE
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BU of 5yje by Molmil
Crystal structure of HIRA(644-1017)
Descriptor: Protein HIRA, SULFATE ION
Authors:Sato, Y, Senda, M, Senda, T.
Deposit date:2017-10-10
Release date:2018-06-20
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Functional activity of the H3.3 histone chaperone complex HIRA requires trimerization of the HIRA subunit
Nat Commun, 9, 2018

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