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7UOD
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BU of 7uod by Molmil
Crystal structure of a lectin from Canavalia maritima seed (ConM) complexed with 2,4-dichloro-phenoxyacetic acid
Descriptor: (2,4-DICHLOROPHENOXY)ACETIC ACID, CALCIUM ION, CHLORIDE ION, ...
Authors:Sousa, J.P, Bezerra, E.H.S, Sales, M.V, Queiroz, P.P, da Silva, F.M.S, Carvalho, C.P.S, Freire, V.N, Rocha, B.A.M.
Deposit date:2022-04-12
Release date:2023-04-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural analysis of Canavalia maritima lectin complexed with auxins
To Be Published
1O3M
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BU of 1o3m by Molmil
Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors
Descriptor: 2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-4-(TRIFLUOROMETHOXY)BENZENOLATE, BETA-TRYPSIN, CALCIUM ION, ...
Authors:Katz, B.A, Elrod, K, Verner, E, Mackman, R.L, Luong, C, Shrader, W.D, Sendzik, M, Spencer, J.R, Sprengeler, P.A, Kolesnikov, A, Tai, V.W, Hui, H.C, Breitenbucher, J.G, Allen, D, Janc, J.W.
Deposit date:2003-03-06
Release date:2003-09-02
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Elaborate manifold of short hydrogen bond arrays mediating binding of active site-directed serine protease inhibitors.
J.Mol.Biol., 329, 2003
1RNV
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BU of 1rnv by Molmil
REFINEMENT OF THE CRYSTAL STRUCTURE OF RIBONUCLEASE S. COMPARISON WITH AND BETWEEN THE VARIOUS RIBONUCLEASE A STRUCTURES
Descriptor: RIBONUCLEASE S, SULFATE ION
Authors:Kim, E.E, Varadarajan, R, Wyckoff, H.W, Richards, F.M.
Deposit date:1992-02-19
Release date:1994-01-31
Last modified:2019-08-14
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Refinement of the crystal structure of ribonuclease S. Comparison with and between the various ribonuclease A structures.
Biochemistry, 31, 1992
1FCD
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BU of 1fcd by Molmil
THE STRUCTURE OF FLAVOCYTOCHROME C SULFIDE DEHYDROGENASE FROM A PURPLE PHOTOTROPHIC BACTERIUM CHROMATIUM VINOSUM AT 2.5 ANGSTROMS RESOLUTION
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, FLAVOCYTOCHROME C SULFIDE DEHYDROGENASE (CYTOCHROME SUBUNIT), FLAVOCYTOCHROME C SULFIDE DEHYDROGENASE (FLAVIN-BINDING SUBUNIT), ...
Authors:Chen, Z.W, Koh, M, Van Driessche, G, Van Beeumen, J.J, Bartsch, R.G, Meyer, T.E, Cusanovich, M.A, Mathews, F.S.
Deposit date:1994-08-18
Release date:1994-11-01
Last modified:2021-03-10
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:The structure of flavocytochrome c sulfide dehydrogenase from a purple phototrophic bacterium.
Science, 266, 1994
7UGL
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BU of 7ugl by Molmil
Bromodomain of CBP liganded with BMS-536924 and SGC-CBP30
Descriptor: (3M)-4-{[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}-3-[4-methyl-6-(morpholin-4-yl)-1H-benzimidazol-2-yl]pyridin-2(1H)-one, 2-[2-(3-chloro-4-methoxyphenyl)ethyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-(morpholin-4-yl)propyl]-1H-benzimidazole, Histone acetyltransferase
Authors:Schonbrunn, E, Bikowitz, M.
Deposit date:2022-03-24
Release date:2023-04-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural basis of CBP and EP300 interaction with kinase inhibitors
To Be Published
7UFY
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BU of 7ufy by Molmil
Crystal structure of TDP1 complexed with compound XZ766
Descriptor: 1,2-ETHANEDIOL, Tyrosyl-DNA phosphodiesterase 1, [(4-{[(4S)-2,7-diphenylimidazo[1,2-a]pyridin-3-yl]amino}phenyl)methyl]phosphonic acid
Authors:Lountos, G.T, Zhao, X.Z, Wang, W, Tropea, J.E, Needle, D, Pommier, Y, Burke, T.R.
Deposit date:2022-03-23
Release date:2023-04-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.584 Å)
Cite:Phosphonic acid-containing inhibitors of tyrosyl-DNA phosphodiesterase 1.
Front Chem, 10, 2022
1RPQ
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BU of 1rpq by Molmil
High Affinity IgE Receptor (alpha chain) Complexed with Tight-Binding E131 'zeta' Peptide from Phage Display
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)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Stamos, J, Eigenbrot, C, Nakamura, G.R, Reynolds, M.E, Yin, J.P, Lowman, H.B, Fairbrother, W.J, Starovasnik, M.A.
Deposit date:2003-12-03
Release date:2004-07-20
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (3 Å)
Cite:Convergent Recognition of the IgE Binding Site on the High-Affinity IgE Receptor.
Structure, 12, 2004
4RI4
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BU of 4ri4 by Molmil
Crystal structure of PTPN3 (PTPH1) Y676I mutant in complex with vanadate
Descriptor: Tyrosine-protein phosphatase non-receptor type 3, VANADATE ION
Authors:Chen, K.-E, Meng, T.C, Wang, A.H.-J.
Deposit date:2014-10-05
Release date:2015-03-11
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.596 Å)
Cite:Substrate specificity and plasticity of FERM-containing protein tyrosine phosphatases.
Structure, 23, 2015
4RI5
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BU of 4ri5 by Molmil
Crystal structure of PTPN3 (PTPH1) D811E mutant in complex with metavanadate
Descriptor: GLYCEROL, Tyrosine-protein phosphatase non-receptor type 3, oxido(dioxo)vanadium
Authors:Chen, K.-E, Meng, T.C, Wang, A.H.-J.
Deposit date:2014-10-05
Release date:2015-03-11
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.26 Å)
Cite:Substrate specificity and plasticity of FERM-containing protein tyrosine phosphatases.
Structure, 23, 2015
5QEF
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BU of 5qef by Molmil
PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with compound_FMOPL000134a
Descriptor: 1-{4-[(2-methoxyethyl)amino]piperidin-1-yl}ethan-1-one, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1
Authors:Keedy, D.A, Hill, Z.B, Biel, J.T, Kang, E, Rettenmaier, T.J, Brandao-Neto, J, von Delft, F, Wells, J.A, Fraser, J.S.
Deposit date:2018-08-30
Release date:2018-10-10
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.605 Å)
Cite:An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering.
Elife, 7, 2018
3NNK
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BU of 3nnk by Molmil
Biochemical and Structural Characterization of a Ureidoglycine Aminotransferase in the Klebsiella pneumoniae Uric Acid Catabolic Pathway
Descriptor: Ureidoglycine-glyoxylate aminotransferase
Authors:French, J.B, Ealick, S.E.
Deposit date:2010-06-23
Release date:2010-07-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Biochemical and Structural Characterization of a Ureidoglycine Aminotransferase in the Klebsiella pneumoniae Uric Acid Catabolic Pathway.
Biochemistry, 49, 2010
4TRA
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BU of 4tra by Molmil
RESTRAINED REFINEMENT OF TWO CRYSTALLINE FORMS OF YEAST ASPARTIC ACID AND PHENYLALANINE TRANSFER RNA CRYSTALS
Descriptor: MAGNESIUM ION, TRNAPHE
Authors:Westhof, E, Dumas, P, Moras, D.
Deposit date:1987-11-06
Release date:1987-11-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3 Å)
Cite:Restrained refinement of two crystalline forms of yeast aspartic acid and phenylalanine transfer RNA crystals.
Acta Crystallogr.,Sect.A, 44, 1988
7LVS
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BU of 7lvs by Molmil
The CBP TAZ1 Domain in Complex with a CITED2-HIF-1-Alpha Fusion Peptide
Descriptor: Cbp/p300-interacting transactivator 2,Hypoxia-inducible factor 1-alpha, Histone lysine acetyltransferase CREBBP, ZINC ION
Authors:Appling, F.D, Berlow, R.B, Stanfield, R.L, Dyson, H.J, Wright, P.E.
Deposit date:2021-02-26
Release date:2021-07-28
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:The molecular basis of allostery in a facilitated dissociation process.
Structure, 29, 2021
4CVX
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BU of 4cvx by Molmil
COMPLEX OF A B2 CHICKEN MHC CLASS I MOLECULE AND A 9MER CHICKEN PEPTIDE
Descriptor: BETA-2-MICROGLOBULIN, MHC CLASS I ALPHA CHAIN 2, SELF-PEPTIDE
Authors:Chappell, P.E, Roversi, P, Harrison, M.C, Mears, L.E, Kaufman, J.F, Lea, S.M.
Deposit date:2014-03-31
Release date:2015-05-06
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Expression levels of MHC class I molecules are inversely correlated with promiscuity of peptide binding.
Elife, 4, 2015
5QFU
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BU of 5qfu by Molmil
PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with compound_FMOOA000487a
Descriptor: (1R,4R,5R,6R)-4-methoxy-2-(methylsulfonyl)-2-azabicyclo[3.3.1]nonan-6-ol, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1
Authors:Keedy, D.A, Hill, Z.B, Biel, J.T, Kang, E, Rettenmaier, T.J, Brandao-Neto, J, von Delft, F, Wells, J.A, Fraser, J.S.
Deposit date:2018-08-30
Release date:2018-10-10
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.613 Å)
Cite:An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering.
Elife, 7, 2018
6BNZ
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BU of 6bnz by Molmil
Crystal structure of E144Q-glyoxalase I mutant from Zea mays in space group P4(1)2(1)2
Descriptor: COBALT (II) ION, FORMIC ACID, GLUTATHIONE, ...
Authors:Alvarez, C.E, Agostini, R.B, Gonzalez, J.M, Drincovich, M.F, Campos Bermudez, V.A, Klinke, S.
Deposit date:2017-11-17
Release date:2018-11-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Deciphering the number and location of active sites in the monomeric glyoxalase I of Zea mays.
Febs J., 286, 2019
5EF5
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BU of 5ef5 by Molmil
Crystal structure of Chaetomium thermophilum Raptor
Descriptor: Raptor from Chaetomium thermophilum
Authors:Imseng, S, Sauer, E, Aylett, C.H.S, Boehringer, D, Hall, M.N, Ban, N, Maier, T.
Deposit date:2015-10-23
Release date:2015-12-30
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (4.3 Å)
Cite:Architecture of human mTOR complex 1.
Science, 351, 2016
1HI1
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BU of 1hi1 by Molmil
RNA dependent RNA polymerase from dsRNA bacteriophage phi6 plus bound NTP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, P2 PROTEIN
Authors:Grimes, J.M, Butcher, S.J, Makeyev, E.V, Bamford, D.H, Stuart, D.I.
Deposit date:2001-01-01
Release date:2001-03-27
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3 Å)
Cite:A Mechanism for Initiating RNA-Dependent RNA Polymerization
Nature, 410, 2001
7UN2
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BU of 7un2 by Molmil
Crystal structure of a lectin from Canavalia maritima seed (ConM) complexed with Indole-3-butyric acid
Descriptor: 3-INDOLEBUTYRIC ACID, CALCIUM ION, CHLORIDE ION, ...
Authors:de Sousa, J.P, Bezerra, E.H.S, Sales, M.V, Queiroz, P.P, da Silva, F.M.S, Carvalho, C.P.S, Freire, V.N, Rocha, B.A.M.
Deposit date:2022-04-08
Release date:2023-04-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural analysis of Canavalia maritima lectin complexed with auxins
To Be Published
1YUC
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BU of 1yuc by Molmil
Human Nuclear Receptor Liver Receptor Homologue-1, LRH-1, Bound to Phospholipid and a Fragment of Human SHP
Descriptor: GLYCEROL, L-ALPHA-PHOSPHATIDYL-BETA-OLEOYL-GAMMA-PALMITOYL-PHOSPHATIDYLETHANOLAMINE, Nuclear receptor 0B2, ...
Authors:Ortlund, E.A, Yoonkwang, L, Solomon, I.H, Hager, J.M, Safi, R, Choi, Y, Guan, Z, Tripathy, A, Raetz, C.R.H, McDonnell, D.P, Moore, D.D, Redinbo, M.R.
Deposit date:2005-02-13
Release date:2005-03-01
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Modulation of human nuclear receptor LRH-1 activity by phospholipids and SHP
Nat.Struct.Mol.Biol., 12, 2005
5QDJ
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BU of 5qdj by Molmil
PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with compound_FMOPL000211a
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, N-(4-methyl-1,3-thiazol-2-yl)propanamide, Tyrosine-protein phosphatase non-receptor type 1
Authors:Keedy, D.A, Hill, Z.B, Biel, J.T, Kang, E, Rettenmaier, T.J, Brandao-Neto, J, von Delft, F, Wells, J.A, Fraser, J.S.
Deposit date:2018-08-30
Release date:2018-10-10
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.761 Å)
Cite:An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering.
Elife, 7, 2018
1NLZ
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BU of 1nlz by Molmil
Crystal structure of unliganded traffic ATPase of the type IV secretion system of helicobacter pylori
Descriptor: virB11 homolog
Authors:Savvides, S.N, Yeo, H.J, Beck, M.R, Blaesing, F, Lurz, R, Lanka, E, Buhrdorf, R, Fischer, W, Haas, R, Waksman, G.
Deposit date:2003-01-08
Release date:2003-05-06
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:VirB11 ATPases are dynamic hexameric assemblies: New insights into bacterial type IV secretion
Embo J., 22, 2003
6BNF
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BU of 6bnf by Molmil
Crystal structure of the intrinsic colistin resistance enzyme ICR(Mc) from Moraxella catarrhalis, catalytic domain, mono-zinc complex
Descriptor: ACETATE ION, GLYCEROL, PHOSPHATE ION, ...
Authors:Stogios, P.J, Evdokimova, E, Wawrzak, Z, Di Leo, R, Savchenko, A, Anderson, W.F, Satchell, K.J, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2017-11-16
Release date:2018-01-31
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Substrate recognition by a colistin resistance enzyme from Moraxella catarrhalis.
ACS Chem. Biol., 2018
1YUP
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BU of 1yup by Molmil
Reindeer beta-lactoglobulin
Descriptor: beta-lactoglobulin
Authors:Goldman, A, Oksanen, E.
Deposit date:2005-02-14
Release date:2006-02-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Reindeer beta-lactoglobulin crystal structure with pseudo-body-centred noncrystallographic symmetry.
Acta Crystallogr.,Sect.D, 62, 2006
5UFV
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BU of 5ufv by Molmil
Crystal Structure of a Cellulose-active Polysaccharide Monooxygenase from M. thermophila (MtPMO3*)
Descriptor: COPPER (II) ION, Glycoside hydrolase family 61 protein
Authors:Span, E.A, Deller, M.C, Marletta, M.A.
Deposit date:2017-01-05
Release date:2017-03-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:The Role of the Secondary Coordination Sphere in a Fungal Polysaccharide Monooxygenase.
ACS Chem. Biol., 12, 2017

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