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7WGA
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BU of 7wga by Molmil
2.2 ANGSTROMS RESOLUTION STRUCTURE ANALYSIS OF TWO REFINED N-ACETYLNEURAMINYLLACTOSE-WHEAT GERM AGGLUTININ ISOLECTIN COMPLEXES
Descriptor: WHEAT GERM LECTIN
Authors:Wright, C.S.
Deposit date:1990-04-03
Release date:1990-10-15
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:2.2 A resolution structure analysis of two refined N-acetylneuraminyl-lactose--wheat germ agglutinin isolectin complexes.
J.Mol.Biol., 215, 1990
1SDA
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BU of 1sda by Molmil
CRYSTAL STRUCTURE OF PEROXYNITRITE-MODIFIED BOVINE CU,ZN SUPEROXIDE DISMUTASE
Descriptor: COPPER (II) ION, COPPER,ZINC SUPEROXIDE DISMUTASE, ZINC ION
Authors:Smith, C.D, Carson, M, Van Der Woerd, M, Chen, J, Ischiropoulos, H, Beckman, J.S.
Deposit date:1993-01-13
Release date:1993-10-31
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of peroxynitrite-modified bovine Cu,Zn superoxide dismutase.
Arch.Biochem.Biophys., 299, 1992
3TUB
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BU of 3tub by Molmil
Crystal structure of SYK kinase domain with 1-(5-(6,7-dimethoxyquinolin-4-yloxy)pyridin-2-yl)-3-((1R,2S)-2-phenylcyclopropyl)urea
Descriptor: 1-{5-[(6,7-dimethoxyquinolin-4-yl)oxy]pyridin-2-yl}-3-[(1R,2S)-2-phenylcyclopropyl]urea, Tyrosine-protein kinase SYK
Authors:Han, S.
Deposit date:2011-09-16
Release date:2012-08-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Identification of Type-II Inhibitors Using Kinase Structures.
Chem.Biol.Drug Des., 80, 2012
5TIS
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BU of 5tis by Molmil
Room temperature XFEL structure of the native, doubly-illuminated photosystem II complex
Descriptor: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
Authors:Young, I.D, Ibrahim, M, Chatterjee, R, Gul, S, Fuller, F, Koroidov, S, Brewster, A.S, Tran, R, Alonso-Mori, R, Kroll, T, Michels-Clark, T, Laksmono, H, Sierra, R.G, Stan, C.A, Hussein, R, Zhang, M, Douthit, L, Kubin, M, de Lichtenberg, C, Pham, L.V, Nilsson, H, Cheah, M.H, Shevela, D, Saracini, C, Bean, M.A, Seuffert, I, Sokaras, D, Weng, T.-C, Pastor, E, Weninger, C, Fransson, T, Lassalle, L, Braeuer, P, Aller, P, Docker, P.T, Andi, B, Orville, A.M, Glownia, J.M, Nelson, S, Sikorski, M, Zhu, D, Hunter, M.S, Aquila, A, Koglin, J.E, Robinson, J, Liang, M, Boutet, S, Lyubimov, A.Y, Uervirojnangkoorn, M, Moriarty, N.W, Liebschner, D, Afonine, P.V, Watermann, D.G, Evans, G, Wernet, P, Dobbek, H, Weis, W.I, Brunger, A.T, Zwart, P.H, Adams, P.D, Zouni, A, Messinger, J, Bergmann, U, Sauter, N.K, Kern, J, Yachandra, V.K, Yano, J.
Deposit date:2016-10-03
Release date:2016-11-23
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.25000381 Å)
Cite:Structure of photosystem II and substrate binding at room temperature.
Nature, 540, 2016
6BE3
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BU of 6be3 by Molmil
Crystal structure of a polysaccharide-binding human Fab (F598) in complex with N-acetyl-D-glucosamine (GlcNAc)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab (F598) Heavy Chain, Fab (F598) Light Chain
Authors:Soliman, C, Ramsland, P.A.
Deposit date:2017-10-24
Release date:2018-02-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural basis for antibody targeting of the broadly expressed microbial polysaccharide poly-N-acetylglucosamine.
J. Biol. Chem., 293, 2018
6BE4
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BU of 6be4 by Molmil
Crystal structure of a polysaccharide-binding human Fab (F598) in complex with nona-N-acetyl-D-glucosamine (9NAc)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fab (F598) Heavy Chain, Fab(F598) Light Chain
Authors:Soliman, C, Ramsland, P.A.
Deposit date:2017-10-24
Release date:2018-02-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis for antibody targeting of the broadly expressed microbial polysaccharide poly-N-acetylglucosamine.
J. Biol. Chem., 293, 2018
3FZO
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BU of 3fzo by Molmil
Crystal Structure of PYK2-Apo, Proline-rich Tyrosine Kinase
Descriptor: Protein tyrosine kinase 2 beta
Authors:Han, S.
Deposit date:2009-01-26
Release date:2009-03-31
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural characterization of proline-rich tyrosine kinase 2 (PYK2) reveals a unique (DFG-out) conformation and enables inhibitor design.
J.Biol.Chem., 284, 2009
3FZR
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BU of 3fzr by Molmil
Crystal structure of PYK2 complexed with PF-431396
Descriptor: N-methyl-N-{2-[({2-[(2-oxo-2,3-dihydro-1H-indol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl}amino)methyl]phenyl}methanesulfonamide, PHOSPHATE ION, Protein tyrosine kinase 2 beta
Authors:Han, S.
Deposit date:2009-01-26
Release date:2009-03-31
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural characterization of proline-rich tyrosine kinase 2 (PYK2) reveals a unique (DFG-out) conformation and enables inhibitor design.
J.Biol.Chem., 284, 2009
3FZS
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BU of 3fzs by Molmil
Crystal Structure of PYK2 complexed with BIRB796
Descriptor: 1-(5-TERT-BUTYL-2-P-TOLYL-2H-PYRAZOL-3-YL)-3-[4-(2-MORPHOLIN-4-YL-ETHOXY)-NAPHTHALEN-1-YL]-UREA, Protein tyrosine kinase 2 beta
Authors:Han, S.
Deposit date:2009-01-26
Release date:2009-03-31
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural characterization of proline-rich tyrosine kinase 2 (PYK2) reveals a unique (DFG-out) conformation and enables inhibitor design.
J.Biol.Chem., 284, 2009
4DF6
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BU of 4df6 by Molmil
Crystal Structure of the inhibitor NXL104 Covalent Adduct with TB B-lactamase
Descriptor: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase, PHOSPHATE ION
Authors:Hazra, S, Blanchard, J.
Deposit date:2012-01-23
Release date:2012-07-18
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:NXL104 irreversibly inhibits the {beta}-lactamase from Mycobacterium tuberculosis.
Biochemistry, 51, 2012
6HLK
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BU of 6hlk by Molmil
Hijacking the Hijackers: Escherichia coli Pathogenicity Islands Redirect Helper Phage Packaging for Their Own Benefit.
Descriptor: Redirecting phage packaging protein C (RppC)
Authors:Penades, J.R, Bacarizo, J, Marina, A, Alqasmi, M, Fillol-Salom, A, Roszak, A.W, Ciges-Tomas, J.R.
Deposit date:2018-09-11
Release date:2019-07-31
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Hijacking the Hijackers: Escherichia coli Pathogenicity Islands Redirect Helper Phage Packaging for Their Own Benefit.
Mol.Cell, 75, 2019
6DI7
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BU of 6di7 by Molmil
Vps1 GTPase-BSE fusion complexed with GDP
Descriptor: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Putative sorting protein
Authors:Varlakhanova, N.V, Brady, T.M, Ford, M.G.J.
Deposit date:2018-05-22
Release date:2018-08-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structures of the fungal dynamin-related protein Vps1 reveal a unique, open helical architecture.
J. Cell Biol., 217, 2018
3FZP
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BU of 3fzp by Molmil
Crystal structure of PYK2 complexed with ATPgS
Descriptor: PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Protein tyrosine kinase 2 beta, SULFATE ION
Authors:Han, S.
Deposit date:2009-01-26
Release date:2009-03-31
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural characterization of proline-rich tyrosine kinase 2 (PYK2) reveals a unique (DFG-out) conformation and enables inhibitor design.
J.Biol.Chem., 284, 2009
3FZT
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BU of 3fzt by Molmil
Crystal structure of PYK2 complexed with PF-4618433
Descriptor: 1-[5-tert-butyl-2-(4-methylphenyl)-1,2-dihydro-3H-pyrazol-3-ylidene]-3-{3-[(pyridin-3-yloxy)methyl]-1H-pyrazol-5-yl}urea, Protein tyrosine kinase 2 beta
Authors:Han, S.
Deposit date:2009-01-26
Release date:2009-03-31
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural characterization of proline-rich tyrosine kinase 2 (PYK2) reveals a unique (DFG-out) conformation and enables inhibitor design.
J.Biol.Chem., 284, 2009
4HCX
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BU of 4hcx by Molmil
Structure of ICDH-1 from M.tuberculosis complexed with NADPH & Mn2+
Descriptor: CHLORIDE ION, Isocitrate dehydrogenase [NADP], MANGANESE (II) ION, ...
Authors:Hazra, S, Blanchard, J.
Deposit date:2012-10-01
Release date:2013-02-27
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Structural, Kinetic and Chemical Mechanism of Isocitrate Dehydrogenase-1 from Mycobacterium tuberculosis.
Biochemistry, 52, 2013
1VKA
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BU of 1vka by Molmil
Southeast Collaboratory for Structural Genomics: Hypothetical Human Protein Q15691 N-Terminal Fragment
Descriptor: Microtubule-associated protein RP/EB family member 1
Authors:Liu, Z.-J, Tempel, W, Schubot, F.D, Shah, A, Dailey, T.A, Mayer, M.R, Rose, J.P, Dailey, H.A, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG)
Deposit date:2004-05-10
Release date:2004-07-13
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Southeast Collaboratory for Structural Genomics: Hypothetical Human Protein Q15691 N-Terminal Fragment
TO BE PUBLISHED
6E5G
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BU of 6e5g by Molmil
Crystal structure of human TEAD2-Yap binding domain covalently bound to an allosteric regulator
Descriptor: 1-(2-{[3-(trifluoromethyl)phenyl]amino}phenyl)ethan-1-one, Transcriptional enhancer factor TEF-4
Authors:Bum-Erdene, K, Gonzalez-Gutierrez, G, Meroueh, S.O.
Deposit date:2018-07-20
Release date:2019-01-09
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Small-Molecule Covalent Modification of Conserved Cysteine Leads to Allosteric Inhibition of the TEAD⋅Yap Protein-Protein Interaction.
Cell Chem Biol, 26, 2019
3EBX
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BU of 3ebx by Molmil
REFINEMENT AT 1.4 ANGSTROMS RESOLUTION OF A MODEL OF ERABUTOXIN B. TREATMENT OF ORDERED SOLVENT AND DISCRETE DISORDER
Descriptor: ERABUTOXIN B, SULFATE ION
Authors:Smith, J.L, Corfield, P.W.R, Hendrickson, W.A, Low, B.W.
Deposit date:1988-01-15
Release date:1988-04-16
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Refinement at 1.4 A resolution of a model of erabutoxin b: treatment of ordered solvent and discrete disorder.
Acta Crystallogr.,Sect.A, 44, 1988
5TBD
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BU of 5tbd by Molmil
Crystal Structure of anti-MSP2 Fv fragment (mAb4D11) in complex with 3D7-MSP2 215-222
Descriptor: Fv fragment (mAb4D1) heavy chain, Merozoite surface protein 2
Authors:Seow, J, Morales, R.A.V, MacRaild, C.A, Bankala, K, Drinkwater, N, Dingjan, T, Jaipuria, G, Wilde, K, Anders, R.F, Atreya, H.S, Christ, D, McGowan, S, Norton, R.S.
Deposit date:2016-09-12
Release date:2017-02-15
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure and Characterisation of a Key Epitope in the Conserved C-Terminal Domain of the Malaria Vaccine Candidate MSP2.
J. Mol. Biol., 429, 2017
4FE1
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BU of 4fe1 by Molmil
Improving the Accuracy of Macromolecular Structure Refinement at 7 A Resolution
Descriptor: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ...
Authors:Fromme, R, Adams, P.D, Fromme, P, Levitt, M, Schroeder, G.F, Brunger, A.T.
Deposit date:2012-05-29
Release date:2012-08-15
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (4.9228 Å)
Cite:Improving the accuracy of macromolecular structure refinement at 7 A resolution.
Structure, 20, 2012
3M6H
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BU of 3m6h by Molmil
Crystal Structure of Post-isomerized Ertapenem Covalent Adduct with TB B-lactamase
Descriptor: (2S,3R,4S)-4-({(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-2-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid, Beta-lactamase, PHOSPHATE ION
Authors:Tremblay, L.W.
Deposit date:2010-03-15
Release date:2010-04-14
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.994 Å)
Cite:Biochemical and structural characterization of Mycobacterium tuberculosis beta-lactamase with the carbapenems ertapenem and doripenem.
Biochemistry, 49, 2010
4MC3
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BU of 4mc3 by Molmil
Hedycaryol synthase in complex with Nerolidol
Descriptor: (3R,6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol, Putative sesquiterpene cyclase
Authors:Baer, P, Rabe, P, Cirton, C, Oliveira Mann, C, Kaufmann, N, Groll, M, Dickschat, J.
Deposit date:2013-08-21
Release date:2014-01-29
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Hedycaryol synthase in complex with nerolidol reveals terpene cyclase mechanism.
Chembiochem, 15, 2014
4JLF
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BU of 4jlf by Molmil
Inhibitor resistant (R220A) substitution in the Mycobacterium tuberculosis beta-lactamase
Descriptor: Beta-lactamase, PHOSPHATE ION
Authors:Hazra, S, Kurz, S, Blanchard, J, Bonomo, R.
Deposit date:2013-03-12
Release date:2013-10-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Can inhibitor-resistant substitutions in the Mycobacterium tuberculosis beta-Lactamase BlaC lead to clavulanate resistance?: a biochemical rationale for the use of beta-lactam-beta-lactamase inhibitor combinations.
Antimicrob.Agents Chemother., 57, 2013
2GV9
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BU of 2gv9 by Molmil
Crystal structure of the Herpes Simplex virus type 1 DNA polymerase
Descriptor: DNA polymerase, GUANIDINE, MERCURY (II) ION, ...
Authors:Liu, S.
Deposit date:2006-05-02
Release date:2006-05-16
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Crystal structure of the herpes simplex virus 1 DNA polymerase.
J.Biol.Chem., 281, 2006
1BW9
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BU of 1bw9 by Molmil
PHENYLALANINE DEHYDROGENASE STRUCTURE IN TERNARY COMPLEX WITH NAD+ AND PHENYLPYRUVATE
Descriptor: 1,2-ETHANEDIOL, 3-PHENYLPYRUVIC ACID, ISOPROPYL ALCOHOL, ...
Authors:Vanhooke, J.L, Thoden, J.B, Brunhuber, N.M.W, Blanchard, J.L, Holden, H.M.
Deposit date:1998-10-01
Release date:1999-05-18
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Phenylalanine dehydrogenase from Rhodococcus sp. M4: high-resolution X-ray analyses of inhibitory ternary complexes reveal key features in the oxidative deamination mechanism.
Biochemistry, 38, 1999

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