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1FPY
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BU of 1fpy by Molmil
CRYSTAL STRUCTURE OF GLUTAMINE SYNTHETASE FROM SALMONELLA TYPHIMURIUM WITH INHIBITOR PHOSPHINOTHRICIN
Descriptor: ADENOSINE-5'-DIPHOSPHATE, GLUTAMINE SYNTHETASE, MANGANESE (II) ION, ...
Authors:Gill, H.S, Eisenberg, D.
Deposit date:2000-08-31
Release date:2001-04-04
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:The crystal structure of phosphinothricin in the active site of glutamine synthetase illuminates the mechanism of enzymatic inhibition.
Biochemistry, 40, 2001
1KGL
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BU of 1kgl by Molmil
Solution structure of cellular retinol binding protein type-I in complex with all-trans-retinol
Descriptor: CELLULAR RETINOL-BINDING PROTEIN TYPE I, RETINOL
Authors:Franzoni, L, Luecke, C, Perez, C, Cavazzini, D, Rademacher, M, Ludwig, C, Spisni, A, Rossi, G.L, Rueterjans, H.
Deposit date:2001-11-27
Release date:2002-06-19
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structure and Backbone Dynamics of Apo- and Holo-cellular Retinol-binding Protein in Solution.
J.Biol.Chem., 277, 2002
2YFU
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BU of 2yfu by Molmil
CBM62 FROM CLOSTRIDIUM THERMOCELLUM XYL5A
Descriptor: CALCIUM ION, CARBOHYDRATE BINDING FAMILY 6, GLYCEROL
Authors:Montanier, C.Y, Correia, M.A.S, Flint, J.E, Zhu, Y, Basle, A, Mckee, L.S, Prates, J.A.M, Polizzi, S.J, Coutinho, P.M, Henrissat, B, Fontes, C.M.G.A, Gilbert, H.J.
Deposit date:2011-04-08
Release date:2011-05-18
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:A Novel, Noncatalytic Carbohydrate-Binding Module Displays Specificity for Galactose-Containing Polysaccharides Through Calcium-Mediated Oligomerization.
J.Biol.Chem., 286, 2011
1NZJ
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BU of 1nzj by Molmil
Crystal Structure and Activity Studies of Escherichia Coli Yadb ORF
Descriptor: Hypothetical protein yadB, ZINC ION
Authors:Campanacci, V, Kern, D.Y, Becker, H.D, Spinelli, S, Valencia, C, Vincentelli, R, Pagot, F, Bignon, C, Giege, R, Cambillau, C.
Deposit date:2003-02-18
Release date:2004-04-13
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:The Escherichia coli YadB gene product reveals a novel aminoacyl-tRNA synthetase like activity.
J.Mol.Biol., 337, 2004
1XQ0
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BU of 1xq0 by Molmil
Structure of human carbonic anhydrase II with 4-[(3-bromo-4-O-sulfamoylbenzyl)(4-cyanophenyl)amino]-4H-[1,2,4]-triazole
Descriptor: 2-BROMO-4-{[(4-CYANOPHENYL)(4H-1,2,4-TRIAZOL-4-YL)AMINO]METHYL}PHENYL SULFAMATE, Carbonic anhydrase II, ZINC ION
Authors:Lloyd, M.D, Thiyagarajan, N, Ho, Y.T, Woo, L.W.L, Sutcliffe, O.B, Purohit, A, Reed, M.J, Acharya, K.R, Potter, B.V.L.
Deposit date:2004-10-11
Release date:2005-05-17
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:First Crystal Structures of Human Carbonic Anhydrase II in Complex with Dual Aromatase-Steroid Sulfatase Inhibitors(,)
Biochemistry, 44, 2005
5M0L
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BU of 5m0l by Molmil
Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with the methylated Fasudil-derived fragment N-methylisoquinoline-5-sulfonamide (Ligand 02)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha, ...
Authors:Wienen-Schmidt, B, Heine, A, Klebe, G.
Deposit date:2016-10-05
Release date:2018-06-06
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.465 Å)
Cite:Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with different Fasudil-derivatives
To Be Published
4FYZ
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BU of 4fyz by Molmil
Crystal Structure of Nitrosyl Cytochrome P450cin
Descriptor: 1,3,3-TRIMETHYL-2-OXABICYCLO[2.2.2]OCTANE, DI(HYDROXYETHYL)ETHER, NITRIC OXIDE, ...
Authors:Madrona, Y, Tripathi, S.M, Li, H, Poulos, T.L.
Deposit date:2012-07-05
Release date:2012-07-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Crystal structures of substrate-free and nitrosyl cytochrome p450cin: implications for o(2) activation.
Biochemistry, 51, 2012
8XOR
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BU of 8xor by Molmil
Cryo-EM structure of the tethered agonist-bound human PAR1-Gq complex
Descriptor: CHOLESTEROL, G subunit q (Gi1-Gq chimeric), Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Guo, J, Zhang, Y.
Deposit date:2024-01-02
Release date:2024-09-18
Last modified:2024-11-20
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural basis of tethered agonism and G protein coupling of protease-activated receptors.
Cell Res., 34, 2024
8CF7
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BU of 8cf7 by Molmil
Dimethylated RSL-R5 in complex with cucurbit[7]uril, C121 sheet assembly
Descriptor: GLYCEROL, RSL-R5, SODIUM ION, ...
Authors:Ramberg, K, Crowley, P.B.
Deposit date:2023-02-02
Release date:2023-07-05
Method:X-RAY DIFFRACTION (1.14 Å)
Cite:Cage versus sheet: Probing the Determinants of Protein - Cucurbit[7]uril Crystalline Architectures.
J.Struct.Biol., 215, 2023
8XOS
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BU of 8xos by Molmil
Cryo-EM structure of the tethered agonist-bound human PAR1-Gi complex
Descriptor: CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Guo, J, Zhang, Y.
Deposit date:2024-01-02
Release date:2024-09-18
Last modified:2025-06-18
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural basis of tethered agonism and G protein coupling of protease-activated receptors.
Cell Res., 34, 2024
6DG7
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BU of 6dg7 by Molmil
Full-length 5-HT3A receptor in a serotonin-bound conformation- State 1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5-hydroxytryptamine receptor 3A, SEROTONIN, ...
Authors:Basak, S, Chakrapani, S.
Deposit date:2018-05-17
Release date:2018-11-07
Last modified:2024-11-20
Method:ELECTRON MICROSCOPY (3.32 Å)
Cite:Cryo-EM reveals two distinct serotonin-bound conformations of full-length 5-HT3Areceptor.
Nature, 563, 2018
6BUU
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BU of 6buu by Molmil
Crystal structure of AKT1 (aa 144-480) with a bisubstrate
Descriptor: GLY-ARG-PRO-ARG-THR-THR-ZXW-PHE-ALA-GLU, MANGANESE (II) ION, RAC-alpha serine/threonine-protein kinase, ...
Authors:Chu, N, Gabelli, S.B, Cole, P.A.
Deposit date:2017-12-11
Release date:2018-08-22
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Akt Kinase Activation Mechanisms Revealed Using Protein Semisynthesis.
Cell, 174, 2018
3MMF
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BU of 3mmf by Molmil
Crystal structure of human carbonic anhydrase II in complex with a 1,3,5-triazine-substituted benzenesulfonamide inhibitor
Descriptor: 4-({4-chloro-6-[(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl}amino)benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Avvaru, B.S, Wagner, J, Robbins, A.H, Mckenna, R.
Deposit date:2010-04-19
Release date:2011-04-20
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Sulfonamides incorporating 1,3,5-triazine moieties selectively and potently inhibit carbonic anhydrase transmembrane isoforms IX, XII and XIV over cytosolic isoforms I and II: Solution and X-ray crystallographic studies.
Bioorg.Med.Chem., 19, 2011
3MNA
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BU of 3mna by Molmil
The crystal structure of human carbonic anhydrase Ii in complex with a 1,3,5-triazine-substituted benzenesulfonamide inhibitor
Descriptor: Carbonic anhydrase 2, GLYCEROL, ZINC ION, ...
Authors:Avvaru, B.S, Wagner, J, Robbins, A.H, Mckenna, R.
Deposit date:2010-04-21
Release date:2011-04-20
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Sulfonamides incorporating 1,3,5-triazine moieties selectively and potently inhibit carbonic anhydrase transmembrane isoforms IX, XII and XIV over cytosolic isoforms I and II: Solution and X-ray crystallographic studies.
Bioorg.Med.Chem., 19, 2011
4YYO
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BU of 4yyo by Molmil
Resting state of rat cysteine dioxygenase C164S variant
Descriptor: CHLORIDE ION, Cysteine dioxygenase type 1, FE (II) ION
Authors:Fellner, M, Tchesnokov, E.P, Siakkou, E, Rutledge, M.T, Jameson, G.N.L, Wilbanks, S.M.
Deposit date:2015-03-24
Release date:2016-06-01
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Influence of cysteine 164 on active site structure in rat cysteine dioxygenase.
J.Biol.Inorg.Chem., 21, 2016
1MWC
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BU of 1mwc by Molmil
WILD TYPE MYOGLOBIN WITH CO
Descriptor: CARBON MONOXIDE, PROTEIN (MYOGLOBIN), PROTOPORPHYRIN IX CONTAINING FE
Authors:Murshudov, G.N, Krzywda, S, Brzozowski, A.M, Jaskolski, M, Scott, E.E, Klizas, S.A, Gibson, Q.H, Olson, J.S, Wilkinson, A.J.
Deposit date:1998-08-12
Release date:1998-08-19
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Stabilizing bound O2 in myoglobin by valine68 (E11) to asparagine substitution.
Biochemistry, 37, 1998
4YXI
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BU of 4yxi by Molmil
Human Carbonic Anhydrase II complexed with an inhibitor with a benzenesulfonamide group (2).
Descriptor: 4-methylbenzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Rechlin, C, Heine, A, Klebe, G.
Deposit date:2015-03-23
Release date:2016-02-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (0.96 Å)
Cite:Kinetic and Structural Insights into the Mechanism of Binding of Sulfonamides to Human Carbonic Anhydrase by Computational and Experimental Studies.
J.Med.Chem., 59, 2016
2ZGT
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BU of 2zgt by Molmil
Crystal structure of Agrocybe aegerita lectin AAL mutant F93G
Descriptor: Anti-tumor lectin
Authors:Li, D.F, Yang, N, Wang, D.C.
Deposit date:2008-01-23
Release date:2009-01-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis for the tumor cell apoptosis-inducing activity of an antitumor lectin from the edible mushroom Agrocybe aegerita
J.Mol.Biol., 387, 2009
3D8V
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BU of 3d8v by Molmil
Crystal structure of GlmU from Mycobacterium tuberculosis in complex with uridine-diphosphate-N-acetylglucosamine
Descriptor: Bifunctional protein glmU, URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE
Authors:Zhang, Z, Squire, C.J, Baker, E.N.
Deposit date:2008-05-25
Release date:2009-03-10
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structure and function of GlmU from Mycobacterium tuberculosis.
Acta Crystallogr.,Sect.D, 65, 2009
2ZGQ
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BU of 2zgq by Molmil
Crystal structure of AAL mutant L33A in P1 spacegroup
Descriptor: Anti-tumor lectin
Authors:Li, D.F, Yang, N, Wang, D.C.
Deposit date:2008-01-23
Release date:2009-01-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis for the tumor cell apoptosis-inducing activity of an antitumor lectin from the edible mushroom Agrocybe aegerita
J.Mol.Biol., 387, 2009
6QPJ
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BU of 6qpj by Molmil
Human CLOCK PAS-A domain
Descriptor: Circadian locomoter output cycles protein kaput
Authors:Kwon, H, Freeman, S.L, Moody, P.C.E, Raven, E.L, Basran, J.
Deposit date:2019-02-14
Release date:2019-09-25
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.315 Å)
Cite:Heme binding to human CLOCK affects interactions with the E-box.
Proc.Natl.Acad.Sci.USA, 116, 2019
4YXU
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BU of 4yxu by Molmil
Human Carbonic Anhydrase II complexed with an inhibitor with a benzenesulfonamide group (4).
Descriptor: 4-propylbenzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Rechlin, C, Heine, A, Klebe, G.
Deposit date:2015-03-23
Release date:2016-02-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.08 Å)
Cite:Kinetic and Structural Insights into the Mechanism of Binding of Sulfonamides to Human Carbonic Anhydrase by Computational and Experimental Studies.
J.Med.Chem., 59, 2016
2ZGO
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BU of 2zgo by Molmil
Crystal structure of AAL mutant H59Q complex with lactose
Descriptor: Anti-tumor lectin, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
Authors:Li, D.F, Yang, N, Wang, D.C.
Deposit date:2008-01-23
Release date:2009-01-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for the tumor cell apoptosis-inducing activity of an antitumor lectin from the edible mushroom Agrocybe aegerita
J.Mol.Biol., 387, 2009
4ARC
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BU of 4arc by Molmil
Ternary complex of E. coli leucyl-tRNA synthetase, tRNA(leu) and leucine in the editing conformation
Descriptor: LEUCINE, LEUCINE--TRNA LIGASE, MAGNESIUM ION, ...
Authors:Palencia, A, Crepin, T, Vu, M.T, Lincecum Jr, T.L, Martinis, S.A, Cusack, S.
Deposit date:2012-04-23
Release date:2012-06-13
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Dynamics of the Aminoacylation and Proofreading Functional Cycle of Bacterial Leucyl-tRNA Synthetase
Nat.Struct.Mol.Biol., 19, 2012
6S0M
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BU of 6s0m by Molmil
Structural and dynamic studies provide insights into specificity and allosteric regulation of Ribonuclease AS, a key enzyme in mycobacterial virulence
Descriptor: 3'-5' exoribonuclease, MAGNESIUM ION, RNA (5'-R(P*G)-3')
Authors:Berisio, R, Romano, M.
Deposit date:2019-06-17
Release date:2019-08-28
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and dynamic studies provide insights into specificity and allosteric regulation of ribonuclease as, a key enzyme in mycobacterial virulence.
J.Biomol.Struct.Dyn., 38, 2020

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