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1I8A
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BU of 1i8a by Molmil
FAMILY 9 CARBOHYDRATE-BINDING MODULE FROM THERMOTOGA MARITIMA XYLANASE 10A WITH GLUCOSE
Descriptor: CALCIUM ION, ENDO-1,4-BETA-XYLANASE A, beta-D-glucopyranose
Authors:Notenboom, V, Boraston, A.B, Warren, R.A.J, Kilburn, D.G, Rose, D.R.
Deposit date:2001-03-12
Release date:2001-06-13
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structures of the family 9 carbohydrate-binding module from Thermotoga maritima xylanase 10A in native and ligand-bound forms.
Biochemistry, 40, 2001
2HXU
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BU of 2hxu by Molmil
Crystal structure of K220A mutant of L-Fuconate Dehydratase from Xanthomonas campestris liganded with Mg++ and L-fuconate
Descriptor: 6-deoxy-L-galactonic acid, L-fuconate dehydratase, MAGNESIUM ION, ...
Authors:Fedorov, A.A, Fedorov, E.V, Yew, W.S, Rakus, J.F, Gerlt, J.A, Almo, S.C.
Deposit date:2006-08-03
Release date:2006-12-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Evolution of Enzymatic Activities in the Enolase Superfamily: l-Fuconate Dehydratase from Xanthomonas campestris.
Biochemistry, 45, 2006
3OB1
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BU of 3ob1 by Molmil
Crystal structure of c-Cbl TKB domain in complex with double phosphorylated Spry2 peptide
Descriptor: 12-meric peptide from Protein sprouty homolog 2, E3 ubiquitin-protein ligase CBL
Authors:Sun, Q, Sivaraman, J.
Deposit date:2010-08-06
Release date:2010-08-18
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Additional serine/threonine phosphorylation reduces binding affinity but preserves interface topography of substrate proteins to the c-Cbl TKB domain
Plos One, 5, 2010
2HXT
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Crystal structure of L-Fuconate Dehydratase from Xanthomonas campestris liganded with Mg++ and D-erythronohydroxamate
Descriptor: (2R,3R)-N,2,3,4-TETRAHYDROXYBUTANAMIDE, L-fuconate dehydratase, MAGNESIUM ION
Authors:Fedorov, A.A, Fedorov, E.V, Yew, W.S, Rakus, J.F, Gerlt, J.A, Almo, S.C.
Deposit date:2006-08-03
Release date:2006-12-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Evolution of Enzymatic Activities in the Enolase Superfamily: l-Fuconate Dehydratase from Xanthomonas campestris.
Biochemistry, 45, 2006
8QTK
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Crystal structure of CBL-b in complex with an allosteric inhibitor (compound 31)
Descriptor: 3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-1-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-5-(trifluoromethyl)pyridin-2-one, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ...
Authors:Schimpl, M.
Deposit date:2023-10-12
Release date:2024-01-24
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.873 Å)
Cite:Discovery, Optimization, and Biological Evaluation of Arylpyridones as Cbl-b Inhibitors.
J.Med.Chem., 67, 2024
8R2C
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BU of 8r2c by Molmil
Crystal structure of the Vint domain from Tetrahymena thermophila
Descriptor: DI(HYDROXYETHYL)ETHER, SULFATE ION, von willebrand factor type A (VWA) domain was originally protein
Authors:Iwai, H, Beyer, H.M, Johannson, J.E, Li, M, Wlodawer, A.
Deposit date:2023-11-03
Release date:2024-02-28
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The three-dimensional structure of the Vint domain from Tetrahymena thermophila suggests a ligand-regulated cleavage mechanism by the HINT fold.
Febs Lett., 598, 2024
6YZG
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BU of 6yzg by Molmil
Streptococcal surface adhesin - CshB NR2
Descriptor: Surface-associated protein CshB
Authors:Race, P.R, Parnell, A.E, Barringer, R.
Deposit date:2020-05-06
Release date:2021-05-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Domain shuffling of a highly mutable ligand-binding fold drives adhesin generation across the bacterial kingdom.
Proteins, 2023
4I7D
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BU of 4i7d by Molmil
Siah1 bound to synthetic peptide (ACE)KLRPVAMVRP(PRK)VR
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, E3 ubiquitin-protein ligase SIAH1, Protein phyllopod, ...
Authors:Santelli, E, Stebbins, J.L, Feng, Y, De, S.K, Purves, A, Motamedchaboki, K, Wu, B, Ronai, Z.A, Liddington, R.C, Pellecchia, M.
Deposit date:2012-11-30
Release date:2013-08-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure-based design of covalent siah inhibitors.
Chem.Biol., 20, 2013
4I7C
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BU of 4i7c by Molmil
Siah1 mutant bound to synthetic peptide (ACE)KLRPV(23P)MVRPWVR
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, E3 ubiquitin-protein ligase SIAH1, Protein phyllopod, ...
Authors:Santelli, E, Stebbins, J.L, Feng, Y, De, S.K, Purves, A, Motamedchaboki, K, Wu, B, Ronai, Z.A, Liddington, R.C, Pellecchia, M.
Deposit date:2012-11-30
Release date:2013-08-14
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure-based design of covalent siah inhibitors.
Chem.Biol., 20, 2013
5K0T
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BU of 5k0t by Molmil
Crystal structure of methionyl-tRNA synthetase MetRS from Brucella melitensis in complex with inhibitor Chem 1415
Descriptor: 1,2-ETHANEDIOL, 1-{3-[(3-chloro-5-methoxybenzyl)amino]propyl}-3-phenylurea, Methionine--tRNA ligase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2016-05-17
Release date:2016-05-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Brucella melitensis Methionyl-tRNA-Synthetase (MetRS), a Potential Drug Target for Brucellosis.
Plos One, 11, 2016
8QTG
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BU of 8qtg by Molmil
Crystal structure of CBL-b in complex with an allosteric inhibitor (compound 9)
Descriptor: 3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-5-(trifluoromethyl)-1~{H}-pyridin-2-one, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ...
Authors:Schimpl, M.
Deposit date:2023-10-12
Release date:2024-01-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.419 Å)
Cite:Discovery, Optimization, and Biological Evaluation of Arylpyridones as Cbl-b Inhibitors.
J.Med.Chem., 67, 2024
8QTH
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BU of 8qth by Molmil
Crystal structure of CBL-b in complex with an allosteric inhibitor (compound 8)
Descriptor: 1-methyl-5-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-3-(trifluoromethyl)-7H-pyrrolo[2,3-b]pyridin-6-one, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ...
Authors:Schimpl, M.
Deposit date:2023-10-12
Release date:2024-01-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.198 Å)
Cite:Discovery, Optimization, and Biological Evaluation of Arylpyridones as Cbl-b Inhibitors.
J.Med.Chem., 67, 2024
8QTJ
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BU of 8qtj by Molmil
Crystal structure of Cbl-b in complex with an allosteric inhibitor (compound 30)
Descriptor: 3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-1-[(1~{R})-1-(1-methylpyrazol-4-yl)ethyl]-5-(trifluoromethyl)pyridin-2-one, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ...
Authors:Schimpl, M.
Deposit date:2023-10-12
Release date:2024-01-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.523 Å)
Cite:Discovery, Optimization, and Biological Evaluation of Arylpyridones as Cbl-b Inhibitors.
J.Med.Chem., 67, 2024
7RIG
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BU of 7rig by Molmil
Structure of ACLY-D1026A-substrates
Descriptor: (3S)-citryl-Coenzyme A, ADENOSINE-5'-DIPHOSPHATE, ATP-citrate synthase, ...
Authors:Wei, X, Marmorstein, R.
Deposit date:2021-07-19
Release date:2023-05-10
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (2.2 Å)
Cite:Allosteric role of the citrate synthase homology domain of ATP citrate lyase.
Nat Commun, 14, 2023
7RKZ
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BU of 7rkz by Molmil
Structure of ACLY D1026A-substrates-asym-int
Descriptor: (3S)-citryl-Coenzyme A, ADENOSINE-5'-DIPHOSPHATE, ATP-citrate synthase, ...
Authors:Wei, X, Marmorstein, R.
Deposit date:2021-07-22
Release date:2023-05-10
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Allosteric role of the citrate synthase homology domain of ATP citrate lyase.
Nat Commun, 14, 2023
7RMP
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BU of 7rmp by Molmil
Structure of ACLY D1026A - substrates-asym
Descriptor: (3S)-citryl-Coenzyme A, ADENOSINE-5'-DIPHOSPHATE, ATP-citrate synthase, ...
Authors:Wei, X, Marmorstein, R.
Deposit date:2021-07-28
Release date:2023-05-10
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Allosteric role of the citrate synthase homology domain of ATP citrate lyase.
Nat Commun, 14, 2023
1ITQ
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BU of 1itq by Molmil
HUMAN RENAL DIPEPTIDASE
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, RENAL DIPEPTIDASE, ZINC ION
Authors:Nitanai, Y, Satow, Y, Adachi, H, Tsujimoto, M.
Deposit date:2002-02-02
Release date:2002-08-28
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of Human Renal Dipeptidase Involved in beta-Lactam Hydrolysis
J.Mol.Biol., 321, 2002
1S9P
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BU of 1s9p by Molmil
crystal structure of the ligand-binding domain of the estrogen-related receptor gamma in complex with diethylstilbestrol
Descriptor: DIETHYLSTILBESTROL, Estrogen-related receptor gamma
Authors:Greschik, H, Flaig, R, Renaud, J.P, Moras, D.
Deposit date:2004-02-05
Release date:2004-06-08
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Structural Basis for the Deactivation of the Estrogen-related Receptor {gamma} by Diethylstilbestrol or 4-Hydroxytamoxifen and Determinants of Selectivity.
J.Biol.Chem., 279, 2004
2WO1
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BU of 2wo1 by Molmil
Crystal Structure of the EphA4 Ligand Binding Domain
Descriptor: EPHRIN TYPE-A RECEPTOR, N-PROPANOL
Authors:Bowden, T.A, Aricescu, A.R, Nettleship, J.E, Siebold, C, Rahman-Huq, N, Owens, R.J, Stuart, D.I, Jones, E.Y.
Deposit date:2009-07-21
Release date:2009-10-27
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural Plasticity of Eph-Receptor A4 Facilitates Cross-Class Ephrin Signalling
Structure, 17, 2009
3FUG
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BU of 3fug by Molmil
Crystal Structure of the Retinoid X Receptor Ligand Binding Domain Bound to the Synthetic Agonist 3-[4-Hydroxy-3-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-phenyl]acrylic Acid
Descriptor: (2E)-3-[4-hydroxy-3-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]prop-2-enoic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha
Authors:Bourguet, W.
Deposit date:2009-01-14
Release date:2009-05-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Modulating retinoid X receptor with a series of (E)-3-[4-hydroxy-3-(3-alkoxy-5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]acrylic acids and their 4-alkoxy isomers.
J.Med.Chem., 52, 2009
2P2A
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BU of 2p2a by Molmil
X-ray structure of the GluR2 ligand binding core (S1S2J) in complex with 2-Bn-tet-AMPA at 2.26A resolution
Descriptor: 2-AMINO-3-[3-HYDROXY-5-(2-BENZYL-2H-5-TETRAZOLYL)-4-ISOXAZOLYL]-PROPIONIC ACID, GLUTAMIC ACID, Glutamate receptor 2, ...
Authors:Frydenvang, K, Kastrup, J.S, Gajhede, M.
Deposit date:2007-03-07
Release date:2007-06-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:A tetrazolyl-substituted subtype-selective AMPA receptor agonist.
J.Med.Chem., 50, 2007
2EZ5
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BU of 2ez5 by Molmil
Solution Structure of the dNedd4 WW3* Domain- Comm LPSY Peptide Complex
Descriptor: Commissureless LPSY Peptide, E3 ubiquitin-protein ligase NEDD4
Authors:Kanelis, V, Bruce, M.C, Skrynnikov, N.R, Rotin, D, Forman-Kay, J.D.
Deposit date:2005-11-10
Release date:2006-03-28
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structural Determinants for High-Affinity Binding in a Nedd4 WW3(*) Domain-Comm PY Motif Complex
Structure, 14, 2006
2MGH
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BU of 2mgh by Molmil
HIGH RESOLUTION CRYSTAL STRUCTURES OF FIVE DISTAL HISTIDINE MUTANTS OF SPERM WHALE MYOGLOBIN
Descriptor: MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
Authors:Arduini, R.M, Quillin, M.L, Phillips Jr, G.N.
Deposit date:1993-05-10
Release date:1994-01-31
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:High-resolution crystal structures of distal histidine mutants of sperm whale myoglobin.
J.Mol.Biol., 234, 1993
2MGE
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BU of 2mge by Molmil
HIGH RESOLUTION CRYSTAL STRUCTURES OF FIVE DISTAL HISTIDINE MUTANTS OF SPERM WHALE MYOGLOBIN
Descriptor: MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
Authors:Quillin, M.L, Arduini, R.M, Phillips Jr, G.N.
Deposit date:1993-05-10
Release date:1994-01-31
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:High-resolution crystal structures of distal histidine mutants of sperm whale myoglobin.
J.Mol.Biol., 234, 1993
2MGB
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BU of 2mgb by Molmil
HIGH RESOLUTION CRYSTAL STRUCTURES OF FIVE DISTAL HISTIDINE MUTANTS OF SPERM WHALE MYOGLOBIN
Descriptor: MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
Authors:Quillin, M.L, Arduini, R.M, Phillips Jr, G.N.
Deposit date:1993-05-10
Release date:1994-01-31
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:High-resolution crystal structures of distal histidine mutants of sperm whale myoglobin.
J.Mol.Biol., 234, 1993

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