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1DTM
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BU of 1dtm by Molmil
CRYSTAL STRUCTURE OF THE SPERM-WHALE MYOGLOBIN MUTANT H93G COMPLEXED WITH 4-METHYLIMIDAZOLE, METAQUO FORM
Descriptor: 4-METHYLIMIDAZOLE, PROTOPORPHYRIN IX CONTAINING FE, RECOMBINANT SPERM WHALE MYOGLOBIN VARIANT H93G
Authors:Barrick, D, Dahlquist, F.W.
Deposit date:2000-01-12
Release date:2000-02-07
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Trans-substitution of the proximal hydrogen bond in myoglobin: I. Structural consequences of hydrogen bond deletion.
Proteins, 39, 2000
8J3S
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BU of 8j3s by Molmil
Complex structure of human cytomegalovirus protease and a macrocyclic peptide ligand
Descriptor: Assemblin, PHE-ILE-THR-GLY-HIS-TYR-TRP-VAL-ARG-PHE-LEU-PRO-CYS-GLY
Authors:Yoshida, S, Sako, Y, Nikaido, E, Ueda, T, Kozono, I, Ichihashi, Y, Nakahashi, A, Onishi, M, Yamatsu, Y, Kato, T, Nishikawa, J, Tachibana, Y.
Deposit date:2023-04-18
Release date:2023-11-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.09 Å)
Cite:Peptide-to-Small Molecule: Discovery of Non-Covalent, Active-Site Inhibitors of beta-Herpesvirus Proteases.
Acs Med.Chem.Lett., 14, 2023
8JIS
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BU of 8jis by Molmil
Cryo-EM structure of the GLP-1R/GCGR dual agonist peptide15-bound human GLP-1R-Gs complex
Descriptor: Glucagon-like peptide 1 receptor, 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:Yang, L, Zhou, Q.T, Dai, A.T, Zhao, F.H, Chang, R.L, Ying, T.L, Wu, B.L, Yang, D.H, Wang, M.W, Cong, Z.T.
Deposit date:2023-05-27
Release date:2023-11-08
Method:ELECTRON MICROSCOPY (2.46 Å)
Cite:Structural analysis of the dual agonism at GLP-1R and GCGR.
Proc.Natl.Acad.Sci.USA, 120, 2023
4KMB
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BU of 4kmb by Molmil
COMPLEX OF 4'-SULFO-LEWIS-X WITH A SELECTIN-LIKE MUTANT OF MANNOSE-BINDING PROTEIN A
Descriptor: CALCIUM ION, CHLORIDE ION, MANNOSE-BINDING PROTEIN-A, ...
Authors:Ng, K.K.-S, Weis, W.I.
Deposit date:1996-11-07
Release date:1997-02-12
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of a selectin-like mutant of mannose-binding protein complexed with sialylated and sulfated Lewis(x) oligosaccharides.
Biochemistry, 36, 1997
2FPG
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BU of 2fpg by Molmil
Crystal structure of pig GTP-specific succinyl-CoA synthetase in complex with GDP
Descriptor: GUANOSINE-5'-DIPHOSPHATE, PHOSPHATE ION, POTASSIUM ION, ...
Authors:Fraser, M.E.
Deposit date:2006-01-16
Release date:2006-02-21
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.96 Å)
Cite:Interactions of GTP with the ATP-grasp Domain of GTP-specific Succinyl-CoA Synthetase
J.Biol.Chem., 281, 2006
2FP4
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BU of 2fp4 by Molmil
Crystal structure of pig GTP-specific succinyl-CoA synthetase in complex with GTP
Descriptor: GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, POTASSIUM ION, ...
Authors:Fraser, M.E.
Deposit date:2006-01-15
Release date:2006-02-21
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Interactions of GTP with the ATP-grasp Domain of GTP-specific Succinyl-CoA Synthetase
J.Biol.Chem., 281, 2006
2FPI
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BU of 2fpi by Molmil
Crystal structure of pig GTP-specific succinyl-CoA synthetase from polyethylene glycol
Descriptor: SULFATE ION, Succinyl-CoA ligase [GDP-forming] alpha-chain, mitochondrial, ...
Authors:Fraser, M.E.
Deposit date:2006-01-16
Release date:2006-02-21
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Interactions of GTP with the ATP-grasp Domain of GTP-specific Succinyl-CoA Synthetase
J.Biol.Chem., 281, 2006
3HCA
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BU of 3hca by Molmil
Crystal Structure of E185Q hPNMT in Complex With Octopamine and AdoHcy
Descriptor: 1,2-ETHANEDIOL, 4-(2R-AMINO-1-HYDROXYETHYL)PHENOL, Phenylethanolamine N-methyltransferase, ...
Authors:Drinkwater, N, Martin, J.L.
Deposit date:2009-05-06
Release date:2009-08-25
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Molecular recognition of physiological substrate noradrenaline by the adrenaline-synthesizing enzyme PNMT and factors influencing its methyltransferase activity.
Biochem.J., 422, 2009
1T88
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BU of 1t88 by Molmil
Crystal Structure of the Ferrous Cytochrome P450cam (C334A)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CAMPHOR, Cytochrome P450-cam, ...
Authors:Nagano, S, Tosha, T, Ishimori, K, Morishima, I, Poulos, T.L.
Deposit date:2004-05-11
Release date:2004-05-25
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of the cytochrome p450cam mutant that exhibits the same spectral perturbations induced by putidaredoxin binding.
J.Biol.Chem., 279, 2004
2O5X
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BU of 2o5x by Molmil
Crystal structure of 1E9 LeuH47Trp/ArgH100Trp, an engineered Diels-Alderase Fab with nM steroid-binding affinity
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, SULFATE ION, chimeric antibody Fab 1E9-DB3
Authors:Verdino, P, Wilson, I.A.
Deposit date:2006-12-06
Release date:2007-12-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Closely related antibody receptors exploit fundamentally different strategies for steroid recognition.
Proc.Natl.Acad.Sci.Usa, 105, 2008
3QHN
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BU of 3qhn by Molmil
Crystal analysis of the complex structure, E201A-cellotetraose, of endocellulase from pyrococcus horikoshii
Descriptor: 458aa long hypothetical endo-1,4-beta-glucanase, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose
Authors:Kim, H.-W, Ishikawa, K.
Deposit date:2011-01-26
Release date:2012-02-01
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Functional analysis of hyperthermophilic endocellulase from Pyrococcus horikoshii by crystallographic snapshots
Biochem.J., 437, 2011
1T87
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BU of 1t87 by Molmil
Crystal Structure of the Ferrous CO-bound Cytochrome P450cam (C334A)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CAMPHOR, CARBON MONOXIDE, ...
Authors:Nagano, S, Tosha, T, Ishimori, K, Morishima, I, Poulos, T.L.
Deposit date:2004-05-11
Release date:2004-05-25
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of the cytochrome p450cam mutant that exhibits the same spectral perturbations induced by putidaredoxin binding.
J.Biol.Chem., 279, 2004
2QFQ
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BU of 2qfq by Molmil
E. coli EPSP synthase Pro101Leu liganded with S3P
Descriptor: 3-phosphoshikimate 1-carboxyvinyltransferase, FORMIC ACID, SHIKIMATE-3-PHOSPHATE
Authors:Schonbrunn, E, Healy-Fried, M.L.
Deposit date:2007-06-27
Release date:2007-10-02
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural basis of glyphosate tolerance resulting from mutations of Pro101 in Escherichia coli 5-enolpyruvylshikimate-3-phosphate synthase.
J.Biol.Chem., 282, 2007
3N21
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BU of 3n21 by Molmil
Crystal structure of Thermolysin in complex with S-1,2-Propandiol
Descriptor: CALCIUM ION, S-1,2-PROPANEDIOL, Thermolysin, ...
Authors:Behnen, J, Heine, A, Klebe, G.
Deposit date:2010-05-17
Release date:2011-05-25
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Experimental and computational active site mapping as a starting point to fragment-based lead discovery.
Chemmedchem, 7, 2012
2QFU
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BU of 2qfu by Molmil
E.coli EPSP synthase Pro101Leu liganded with S3P and glyphosate
Descriptor: 3-phosphoshikimate 1-carboxyvinyltransferase, FORMIC ACID, GLYPHOSATE, ...
Authors:Schonbrunn, E, Healy-Fried, M.L.
Deposit date:2007-06-28
Release date:2007-10-02
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural basis of glyphosate tolerance resulting from mutations of Pro101 in Escherichia coli 5-enolpyruvylshikimate-3-phosphate synthase.
J.Biol.Chem., 282, 2007
4Q2N
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BU of 4q2n by Molmil
INADL PDZ3 in Complex with a Phage-Derived Peptide
Descriptor: 1,2-ETHANEDIOL, InaD-like protein
Authors:Appleton, B.A, Wiesmann, C.
Deposit date:2014-04-09
Release date:2014-09-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:A structural portrait of the PDZ domain family.
J.Mol.Biol., 426, 2014
4Q2P
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BU of 4q2p by Molmil
NHERF3 PDZ2 in Complex with a Phage-Derived Peptide
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Na(+)/H(+) exchange regulatory cofactor NHE-RF3
Authors:Appleton, B.A, Wiesmann, C.
Deposit date:2014-04-09
Release date:2014-09-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:A structural portrait of the PDZ domain family.
J.Mol.Biol., 426, 2014
2O5Z
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BU of 2o5z by Molmil
Crystal structure of the 1E9 LeuH47Trp/ArgH100Trp Fab 5-beta-androstane-3,17-dione complex
Descriptor: 5-BETA-ANDROSTANE-3,17-DIONE, SULFATE ION, chimeric antibody Fab 1E9-DB3
Authors:Verdino, P, Wilson, I.A.
Deposit date:2006-12-06
Release date:2007-12-18
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Closely related antibody receptors exploit fundamentally different strategies for steroid recognition.
Proc.Natl.Acad.Sci.Usa, 105, 2008
1MOX
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BU of 1mox by Molmil
Crystal Structure of Human Epidermal Growth Factor Receptor (residues 1-501) in complex with TGF-alpha
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)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Garrett, T.P.J, McKern, N.M, Lou, M, Elleman, T.C, Adams, T.E, Lovrecz, G.O, Zhu, H.-J, Walker, F, Frenkel, M.J, Hoyne, P.A, Jorissen, R.N, Nice, E.C, Burgess, A.W, Ward, C.W.
Deposit date:2002-09-10
Release date:2003-09-10
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structure of a Truncated Epidermal Growth Factor Receptor Extracellular Domain Bound to Transforming Growth Factor alpha
Cell(Cambridge,Mass.), 110, 2002
1J1Y
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BU of 1j1y by Molmil
Crystal Structure of PaaI from Thermus thermophilus HB8
Descriptor: CHLORIDE ION, MAGNESIUM ION, PaaI protein
Authors:Kunishima, N, Sugahara, M, Kuramitsu, S, Yokoyama, S, Miyano, M, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2002-12-24
Release date:2004-02-17
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A Novel Induced-fit Reaction Mechanism of Asymmetric Hot Dog Thioesterase PaaI
J.Mol.Biol., 352, 2005
3FCU
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BU of 3fcu by Molmil
Structure of headpiece of integrin aIIBb3 in open conformation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CACODYLATE ION, CALCIUM ION, ...
Authors:Zhu, J, Luo, B.-H, Xiao, T, Zhang, C, Nishida, N, Springer, T.A.
Deposit date:2008-11-22
Release date:2009-01-20
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure of a complete integrin ectodomain in a physiologic resting state and activation and deactivation by applied forces.
Mol.Cell, 32, 2008
2WOH
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BU of 2woh by Molmil
Strontium soaked E. coli copper amine oxidase
Descriptor: CALCIUM ION, COPPER (II) ION, PRIMARY AMINE OXIDASE, ...
Authors:Smith, M.A, Pirrat, P, Pearson, A.R, Knowles, P.F, Phillips, S.E.V, McPherson, M.J.
Deposit date:2009-07-23
Release date:2010-05-05
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Exploring the Roles of the Metal Ions in Escherichia Coli Copper Amine Oxidase.
Biochemistry, 49, 2010
3FCS
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BU of 3fcs by Molmil
Structure of complete ectodomain of integrin aIIBb3
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Zhu, J, Luo, B.-H, Xiao, T, Zhang, C, Nishida, N, Springer, T.A.
Deposit date:2008-11-22
Release date:2009-01-20
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structure of a complete integrin ectodomain in a physiologic resting state and activation and deactivation by applied forces.
Mol.Cell, 32, 2008
1T85
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BU of 1t85 by Molmil
Crystal Structure of the Ferrous CO-bound Cytochrome P450cam Mutant (L358P/C334A)
Descriptor: CAMPHOR, CARBON MONOXIDE, Cytochrome P450-cam, ...
Authors:Nagano, S, Tosha, T, Ishimori, K, Morishima, I, Poulos, T.L.
Deposit date:2004-05-11
Release date:2004-06-01
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of the cytochrome p450cam mutant that exhibits the same spectral perturbations induced by putidaredoxin binding.
J.Biol.Chem., 279, 2004
2OIF
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BU of 2oif by Molmil
The crystal structure of ferric cyanide bound barley hexacoordinate hemoglobin.
Descriptor: CYANIDE ION, Non-legume hemoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Hoy, J.A.
Deposit date:2007-01-10
Release date:2007-07-24
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Plant hemoglobins: a molecular fossil record for the evolution of oxygen transport
J.Mol.Biol., 371, 2007

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