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4H56
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BU of 4h56 by Molmil
Crystal structure of the Clostridium perfringens NetB toxin in the membrane inserted form
Descriptor: Necrotic enteritis toxin B
Authors:Savva, C.G, Fernandes da Costa, S.P, Bokori-Brown, M, Naylor, C, Cole, A.R, Moss, D.S, Titball, R.W, Basak, A.K.
Deposit date:2012-09-18
Release date:2012-12-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.9 Å)
Cite:Molecular Architecture and Functional Analysis of NetB, a Pore-forming Toxin from Clostridium perfringens.
J.Biol.Chem., 288, 2013
4P7T
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BU of 4p7t by Molmil
Structural insights into higher-order assembly and function of the bacterial microcompartment protein PduA
Descriptor: Polyhedral bodies
Authors:Pickersgill, R.W, Frank, S, Pang, A, Warren, M.J.
Deposit date:2014-03-27
Release date:2014-06-04
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Structural Insights into Higher Order Assembly and Function of the Bacterial Microcompartment Protein PduA.
J.Biol.Chem., 289, 2014
4V8S
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BU of 4v8s by Molmil
Archaeal RNAP-DNA binary complex at 4.32Ang
Descriptor: 5'-D(*AP*TP*AP*GP*AP*GP*TP*AP*TP*AP*AP*GP*AP*TP *AP*G)-3', 5'-D(*TP*CP*TP*TP*AP*TP*AP*CP*TP*CP*TP*AP*TP*CP)-3', DNA-DIRECTED RNA POLYMERASE, ...
Authors:Wojtas, M.N, Mogni, M, Millet, O, Bell, S.D, Abrescia, N.G.A.
Deposit date:2012-07-12
Release date:2014-07-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (4.323 Å)
Cite:Structural and Functional Analyses of the Interaction of Archaeal RNA Polymerase with DNA.
Nucleic Acids Res., 40, 2012
6VST
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BU of 6vst by Molmil
Arginase from Medicago truncatula in complex with ornithine
Descriptor: Arginase, L-ornithine, MANGANESE (II) ION
Authors:Sekula, B.
Deposit date:2020-02-11
Release date:2020-08-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:The Neighboring Subunit Is Engaged to Stabilize the Substrate in the Active Site of Plant Arginases.
Front Plant Sci, 11, 2020
1ETT
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BU of 1ett by Molmil
REFINED 2.3 ANGSTROMS X-RAY CRYSTAL STRUCTURE OF BOVINE THROMBIN COMPLEXES FORMED WITH THE BENZAMIDINE AND ARGININE-BASED THROMBIN INHIBITORS NAPAP, 4-TAPAP AND MQPA: A STARTING POINT FOR IMPROVING ANTITHROMBOTICS
Descriptor: 4-[(2S)-2-{[(4-methylphenyl)sulfonyl]amino}-3-oxo-3-(piperidin-1-yl)propyl]benzene-1-carboximidamide, EPSILON-THROMBIN
Authors:Bode, W, Brandstetter, H.
Deposit date:1992-07-06
Release date:1994-01-31
Last modified:2018-09-12
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Refined 2.3 A X-ray crystal structure of bovine thrombin complexes formed with the benzamidine and arginine-based thrombin inhibitors NAPAP, 4-TAPAP and MQPA. A starting point for improving antithrombotics.
J.Mol.Biol., 226, 1992
6VSS
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BU of 6vss by Molmil
Arginase from Medicago truncatula
Descriptor: Arginase, MANGANESE (II) ION
Authors:Sekula, B.
Deposit date:2020-02-11
Release date:2020-08-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:The Neighboring Subunit Is Engaged to Stabilize the Substrate in the Active Site of Plant Arginases.
Front Plant Sci, 11, 2020
1ETS
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BU of 1ets by Molmil
REFINED 2.3 ANGSTROMS X-RAY CRYSTAL STRUCTURE OF BOVINE THROMBIN COMPLEXES FORMED WITH THE BENZAMIDINE AND ARGININE-BASED THROMBIN INHIBITORS NAPAP, 4-TAPAP AND MQPA: A STARTING POINT FOR IMPROVING ANTITHROMBOTICS
Descriptor: 1-[N-(naphthalen-2-ylsulfonyl)glycyl-4-carbamimidoyl-D-phenylalanyl]piperidine, EPSILON-THROMBIN
Authors:Bode, W, Brandstetter, H.
Deposit date:1992-07-06
Release date:1994-01-31
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Refined 2.3 A X-ray crystal structure of bovine thrombin complexes formed with the benzamidine and arginine-based thrombin inhibitors NAPAP, 4-TAPAP and MQPA. A starting point for improving antithrombotics.
J.Mol.Biol., 226, 1992
6CYT
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BU of 6cyt by Molmil
HIV-1 TAR loop in complex with Tat:AFF4:P-TEFb
Descriptor: AF4/FMR2 family member 4, Cyclin-T1, Cyclin-dependent kinase 9, ...
Authors:Schulze Gahmen, U, Hurley, J.H.
Deposit date:2018-04-06
Release date:2018-12-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structural mechanism for HIV-1 TAR loop recognition by Tat and the super elongation complex.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
3CEL
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BU of 3cel by Molmil
ACTIVE-SITE MUTANT E212Q DETERMINED AT PH 6.0 WITH CELLOBIOSE BOUND IN THE ACTIVE SITE
Descriptor: 1,4-BETA-D-GLUCAN CELLOBIOHYDROLASE I, 2-acetamido-2-deoxy-beta-D-glucopyranose, CADMIUM ION, ...
Authors:Divne, C, Stahlberg, J, Jones, T.A.
Deposit date:1996-08-24
Release date:1997-03-12
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Activity studies and crystal structures of catalytically deficient mutants of cellobiohydrolase I from Trichoderma reesei.
J.Mol.Biol., 264, 1996
5ADH
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BU of 5adh by Molmil
INTERDOMAIN MOTION IN LIVER ALCOHOL DEHYDROGENASE. STRUCTURAL AND ENERGETIC ANALYSIS OF THE HINGE BENDING MODE
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ADENOSINE-5-DIPHOSPHORIBOSE, APO-LIVER ALCOHOL DEHYDROGENASE, ...
Authors:Eklund, H, Jones, T.A.
Deposit date:1984-01-16
Release date:1984-07-18
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Interdomain motion in liver alcohol dehydrogenase. Structural and energetic analysis of the hinge bending mode.
J.Biol.Chem., 261, 1986
5AA3
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BU of 5aa3 by Molmil
Crystal structure of MltF from Pseudomonas aeruginosa in the presence of tetrasaccharide and tetrapeptide
Descriptor: GLUTAMIC ACID, MEMBRANE-BOUND LYTIC MUREIN TRANSGLYCOSYLASE F
Authors:Dominguez-Gil, T, Acebron, I, Hermoso, J.A.
Deposit date:2015-07-23
Release date:2016-10-12
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Activation by Allostery in Cell-Wall Remodeling by a Modular Membrane-Bound Lytic Transglycosylase from Pseudomonas aeruginosa.
Structure, 24, 2016
4FZG
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BU of 4fzg by Molmil
20S yeast proteasome in complex with glidobactin
Descriptor: Glidobactin, Proteasome component C1, Proteasome component C11, ...
Authors:Stein, M, Beck, P, Kaiser, M, Dudler, R, Becker, C.F.W, Groll, M.
Deposit date:2012-07-06
Release date:2012-10-24
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3 Å)
Cite:One-shot NMR analysis of microbial secretions identifies highly potent proteasome inhibitor.
Proc.Natl.Acad.Sci.USA, 109, 2012
2BPG
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BU of 2bpg by Molmil
STRUCTURES OF TERNARY COMPLEXES OF RAT DNA POLYMERASE BETA, A DNA TEMPLATE-PRIMER, AND DDCTP
Descriptor: 2',3'-DIDEOXYCYTIDINE 5'-TRIPHOSPHATE, DNA (5'-D(*CP*GP*GP*CP*GP*CP*C)-3'), DNA (5'-D(*GP*GP*GP*CP*GP*CP*CP*G)-3'), ...
Authors:Pelletier, H, Sawaya, M.R, Kumar, A, Wilson, S.H, Kraut, J.
Deposit date:1994-05-19
Release date:1994-08-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Structures of ternary complexes of rat DNA polymerase beta, a DNA template-primer, and ddCTP.
Science, 264, 1994
1ESW
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BU of 1esw by Molmil
X-RAY STRUCTURE OF ACARBOSE BOUND TO AMYLOMALTASE FROM THERMUS AQUATICUS. IMPLICATIONS FOR THE SYNTHESIS OF LARGE CYCLIC GLUCANS
Descriptor: 1,2-ETHANEDIOL, 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, AMYLOMALTASE
Authors:Przylas, I, Terada, Y, Fujii, K, Takaha, T, Saenger, W, Straeter, N.
Deposit date:2000-04-11
Release date:2001-04-11
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:X-ray structure of acarbose bound to amylomaltase from Thermus aquaticus. Implications for the synthesis of large cyclic glucans.
Eur.J.Biochem., 267, 2000
3CXI
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BU of 3cxi by Molmil
Structure of BthTX-I complexed with alpha-tocopherol
Descriptor: 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Myotoxic phospholipase A2-like, SULFATE ION, ...
Authors:dos Santos, J.I, Fontes, M.R.M.
Deposit date:2008-04-24
Release date:2009-05-05
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Comparative structural studies on Lys49-phospholipases A(2) from Bothrops genus reveal their myotoxic site.
J.Struct.Biol., 167, 2009
3CYL
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BU of 3cyl by Molmil
Crystal structure of Piratoxin I (a myotoxic Lys49-PLA2) complexed with alpha-tocopherol
Descriptor: 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Phospholipase A2 homolog 2, SULFATE ION, ...
Authors:dos Santos, J.I, Fontes, M.R.M.
Deposit date:2008-04-25
Release date:2009-05-05
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Comparative structural studies on Lys49-phospholipases A(2) from Bothrops genus reveal their myotoxic site.
J.Struct.Biol., 167, 2009
3CPR
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BU of 3cpr by Molmil
The crystal structure of Corynebacterium glutamicum dihydrodipicolinate synthase to 2.2 A resolution
Descriptor: Dihydrodipicolinate synthetase
Authors:Rydel, T.J, Sturman, E.J, Rice, E.A.
Deposit date:2008-04-01
Release date:2008-11-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Characterization and crystal structure of lysine insensitive Corynebacterium glutamicum dihydrodipicolinate synthase (cDHDPS) protein.
Arch.Biochem.Biophys., 480, 2008
3DK8
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BU of 3dk8 by Molmil
Catalytic cycle of human glutathione reductase near 1 A resolution
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GLUTATHIONE, GLYCEROL, ...
Authors:Berkholz, D.S, Faber, H.R, Savvides, S.N, Karplus, P.A.
Deposit date:2008-06-24
Release date:2008-08-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Catalytic cycle of human glutathione reductase near 1 A resolution.
J.Mol.Biol., 382, 2008
4PGJ
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BU of 4pgj by Molmil
Human heavy-chain domain antibody in complex with hen egg-white lysozyme
Descriptor: Human heavy chain domain antibody, Lysozyme C
Authors:Christ, D, Langley, D.B, Rouet, R.
Deposit date:2014-05-02
Release date:2015-03-11
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Fully Human VH Single Domains That Rival the Stability and Cleft Recognition of Camelid Antibodies.
J.Biol.Chem., 290, 2015
3LA4
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BU of 3la4 by Molmil
Crystal structure of the first plant urease from Jack bean (Canavalia ensiformis)
Descriptor: ACETONE, NICKEL (II) ION, PHOSPHATE ION, ...
Authors:Ponnuraj, K.
Deposit date:2010-01-06
Release date:2010-07-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structure of the first plant urease from jack bean: 83 years of journey from its first crystal to molecular structure
J.Mol.Biol., 400, 2010
3VQH
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BU of 3vqh by Molmil
Bromine SAD partially resolves multiple binding modes for PKA inhibitor H-89
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, N-[2-(4-BROMOCINNAMYLAMINO)ETHYL]-5-ISOQUINOLINE SULFONAMIDE, cAMP-dependent protein kinase catalytic subunit alpha, ...
Authors:Pflug, A, Johnson, K.A, Engh, R.A.
Deposit date:2012-03-23
Release date:2012-08-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Anomalous dispersion analysis of inhibitor flexibility: a case study of the kinase inhibitor H-89
Acta Crystallogr.,Sect.F, 68, 2012
3QLV
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BU of 3qlv by Molmil
Crystal structure of the GluK2/GluK5 (GluR6/KA2) ATD tetramer assembly
Descriptor: Glutamate receptor, ionotropic kainate 2, ionotropic kainate 5
Authors:Kumar, J, Mayer, M.L.
Deposit date:2011-02-03
Release date:2011-08-03
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.94 Å)
Cite:Structure and assembly mechanism for heteromeric kainate receptors.
Neuron, 71, 2011
7AX7
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BU of 7ax7 by Molmil
Crystal structure of the Xyl-CE4 domain of a multidomain xylanase from the hindgut metagenome of Trinervitermes trinervoides
Descriptor: ACETATE ION, COBALT (II) ION, Endo-1,4-beta-xylanase
Authors:Anye, V, Schubert, W.D.
Deposit date:2020-11-09
Release date:2020-11-18
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.05000186 Å)
Cite:Structural and biophysical characterization of the multidomain xylanase Xyl.
Plos One, 17, 2022
6CRM
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BU of 6crm by Molmil
Crystal Structure of RecQ catalytic core from C. sakazakii bound to an unfolded G-quadruplex
Descriptor: DNA (5'-D(P*GP*GP*GP*TP*CP*GP*GP*TP*GP*CP*CP*TP*TP*A)-3'), RecQ, ZINC ION
Authors:Voter, A.F, Keck, J.L.
Deposit date:2018-03-19
Release date:2018-10-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.19286251 Å)
Cite:A guanine-flipping and sequestration mechanism for G-quadruplex unwinding by RecQ helicases.
Nat Commun, 9, 2018
7ALM
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BU of 7alm by Molmil
Crystal structure of human GDAP1 at 2.8 Angstrom resolution.
Descriptor: Ganglioside-induced differentiation-associated protein 1
Authors:Nguyen, G.T.T, Sutinen, A, Raasakka, A, Kursula, P.
Deposit date:2020-10-06
Release date:2021-02-24
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of the Complete Dimeric Human GDAP1 Core Domain Provides Insights into Ligand Binding and Clustering of Disease Mutations.
Front Mol Biosci, 7, 2020

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