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1IGF
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BU of 1igf by Molmil
CRYSTAL STRUCTURES OF AN ANTIBODY TO A PEPTIDE AND ITS COMPLEX WITH PEPTIDE ANTIGEN AT 2.8 ANGSTROMS
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, IGG1-KAPPA B13I2 FAB (HEAVY CHAIN), IGG1-KAPPA B13I2 FAB (LIGHT CHAIN)
Authors:Stanfield, R.L, Wilson, I.A.
Deposit date:1991-03-21
Release date:1992-04-15
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structures of an antibody to a peptide and its complex with peptide antigen at 2.8 A.
Science, 248, 1990
4ADJ
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BU of 4adj by Molmil
Crystal structure of the Rubella virus glycoprotein E1 in its post-fusion form crystallized in presence of 1mM of calcium acetate
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CALCIUM ION, ...
Authors:DuBois, R.M, Vaney, M.C, Tortorici, M.A, Al Kurdi, R, Barba-Spaeth, G, Rey, F.A.
Deposit date:2011-12-26
Release date:2013-01-09
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Functional and Evolutionary Insight from the Crystal Structure of Rubella Virus Protein E1.
Nature, 493, 2013
1DRB
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BU of 1drb by Molmil
CRYSTAL STRUCTURE OF UNLIGANDED ESCHERICHIA COLI DIHYDROFOLATE REDUCTASE. LIGAND-INDUCED CONFORMATIONAL CHANGES AND COOPERATIVITY IN BINDING
Descriptor: CALCIUM ION, CHLORIDE ION, DIHYDROFOLATE REDUCTASE, ...
Authors:David, C, Kraut, J.
Deposit date:1991-11-06
Release date:1994-01-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Crystal structure of unliganded Escherichia coli dihydrofolate reductase. Ligand-induced conformational changes and cooperativity in binding.
Biochemistry, 30, 1991
1IPH
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BU of 1iph by Molmil
STRUCTURE OF CATALASE HPII FROM ESCHERICHIA COLI
Descriptor: CATALASE HPII, PROTOPORPHYRIN IX CONTAINING FE
Authors:Bravo, J, Loewen, P.C, Fita, I.
Deposit date:1995-12-31
Release date:1997-09-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of catalase HPII from Escherichia coli.
Structure, 3, 1995
5NDA
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BU of 5nda by Molmil
NMR Structural Characterisation of Pharmaceutically Relevant Proteins Obtained Through a Novel Recombinant Production: The Case of The Pulmonary Surfactant Polypeptide C Analogue rSP-C33Leu.
Descriptor: rSP-C33Leu -RECOMBINANT PULMONARY SURFACTANT-ASSOCIATED POLYPEPTIDE C ANALOGUE-
Authors:Venturi, L, Pioselli, B, Johansson, J, Rising, A, Kronqvist, N, Nordling, K.
Deposit date:2017-03-08
Release date:2017-06-07
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Efficient protein production inspired by how spiders make silk.
Nat Commun, 8, 2017
5O7E
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BU of 5o7e by Molmil
Crystal structure of the peptidase domain of collagenase H from Clostridium histolyticum in complex with N-aryl mercaptoacetamide-based inhibitor
Descriptor: CALCIUM ION, ColH protein, ZINC ION, ...
Authors:Schoenauer, E, Brandstetter, H.
Deposit date:2017-06-08
Release date:2018-01-31
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Discovery of a Potent Inhibitor Class with High Selectivity toward Clostridial Collagenases.
J. Am. Chem. Soc., 139, 2017
5OAE
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BU of 5oae by Molmil
Crystal Structure of tyrosinase from Bacillus megaterium with SVF inhibitor in the active site
Descriptor: 1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethanone, COPPER (II) ION, Tyrosinase
Authors:Deri, B, Gitto, R, Pazy Benhar, Y, Fishman, A.
Deposit date:2017-06-21
Release date:2018-04-25
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Targeting Tyrosinase: Development and Structural Insights of Novel Inhibitors Bearing Arylpiperidine and Arylpiperazine Fragments.
J. Med. Chem., 61, 2018
5HX6
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BU of 5hx6 by Molmil
Crystal structure of RIP1 kinase with a benzo[b][1,4]oxazepin-4-one
Descriptor: 5-benzyl-N-[(3S)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]-1,2-oxazole-3-carboxamide, Receptor-interacting serine/threonine-protein kinase 1
Authors:Campobasso, N, Ward, P.
Deposit date:2016-01-29
Release date:2016-03-02
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:DNA-Encoded Library Screening Identifies Benzo[b][1,4]oxazepin-4-ones as Highly Potent and Monoselective Receptor Interacting Protein 1 Kinase Inhibitors.
J.Med.Chem., 59, 2016
1AYL
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BU of 1ayl by Molmil
PHOSPHOENOLPYRUVATE CARBOXYKINASE
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, OXALATE ION, ...
Authors:Tari, L.W, Pugazenthi, U, Goldie, H, Delbaere, L.T.J.
Deposit date:1995-12-07
Release date:1997-01-11
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Snapshot of an enzyme reaction intermediate in the structure of the ATP-Mg2+-oxalate ternary complex of Escherichia coli PEP carboxykinase.
Nat.Struct.Biol., 3, 1996
3HKS
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BU of 3hks by Molmil
Crystal structure of eukaryotic translation initiation factor eIF-5A2 from Arabidopsis thaliana
Descriptor: 1,2-ETHANEDIOL, Eukaryotic translation initiation factor 5A-2
Authors:Teng, Y.B, He, Y.X, Jiang, Y.L, Chen, Y.X, Zhou, C.Z.
Deposit date:2009-05-25
Release date:2009-09-29
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of Arabidopsis translation initiation factor eIF-5A2
Proteins, 77, 2009
5KX4
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BU of 5kx4 by Molmil
Structure of SALO
Descriptor: 10.7 kDa salivary protein
Authors:Asojo, O.A.
Deposit date:2016-07-20
Release date:2016-07-27
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Structure of SALO, a leishmaniasis vaccine candidate from the sand fly Lutzomyia longipalpis.
PLoS Negl Trop Dis, 11, 2017
5D6E
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BU of 5d6e by Molmil
Structure of human methionine aminopeptidase 2 with covalent spiroepoxytriazole inhibitor (-)-31b
Descriptor: (4R,7S)-7-hydroxy-1-(4-methoxybenzyl)-7-methyl-4,5,6,7-tetrahydro-1H-benzotriazol-4-yl propan-2-ylcarbamate, COBALT (II) ION, Methionine aminopeptidase 2, ...
Authors:Janowski, R, Miller, A.K, Niessing, D.
Deposit date:2015-08-12
Release date:2016-01-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Spiroepoxytriazoles Are Fumagillin-like Irreversible Inhibitors of MetAP2 with Potent Cellular Activity.
Acs Chem.Biol., 11, 2016
7X39
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BU of 7x39 by Molmil
Structure of CIZ1 bound ERH
Descriptor: Enhancer of rudimentary homolog,Cip1-interacting zinc finger protein
Authors:Wang, X, Xu, C.
Deposit date:2022-02-28
Release date:2022-08-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Molecular basis for the recognition of CIZ1 by ERH.
Febs J., 290, 2023
5LAR
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BU of 5lar by Molmil
Crystal structure of p38 alpha MAPK14 in complex with VPC00628
Descriptor: 5-azanyl-~{N}-[[4-[[(2~{S})-1-azanyl-4-cyclohexyl-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide, Mitogen-activated protein kinase 14
Authors:Chaikuad, A, Petersen, L.K, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2016-06-14
Release date:2016-07-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Novel p38alpha MAP kinase inhibitors identified from yoctoReactor DNA-encoded small molecule library
Medchemcomm, 7, 2016
1XSO
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BU of 1xso by Molmil
THREE-DIMENSIONAL STRUCTURE OF XENOPUS LAEVIS CU,ZN SUPEROXIDE DISMUTASE B DETERMINED BY X-RAY CRYSTALLOGRAPHY AT 1.5 ANGSTROMS RESOLUTION
Descriptor: COPPER (II) ION, COPPER,ZINC SUPEROXIDE DISMUTASE, ZINC ION
Authors:Djinovic Carugo, K, Coda, A, Battistoni, A, Carri, M.T, Polticelli, F, Desideri, A, Rotilio, G, Wilson, K.S, Bolognesi, M.
Deposit date:1995-03-14
Release date:1995-07-10
Last modified:2019-08-14
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Three-dimensional structure of Xenopus laevis Cu,Zn superoxide dismutase b determined by X-ray crystallography at 1.5 A resolution.
Acta Crystallogr.,Sect.D, 52, 1996
4RME
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BU of 4rme by Molmil
Crystal structure of human Retinoid X receptor alpha ligand binding domain complex with 9cUAB111 and coactivator peptide GRIP-1
Descriptor: (2E,4E,6Z,8E)-3,7-dimethyl-8-[2-(3-methylbutyl)-3-(propan-2-yl)cyclohex-2-en-1-ylidene]octa-2,4,6-trienoic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha
Authors:Xia, G, Muccio, D.D.
Deposit date:2014-10-21
Release date:2015-09-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Conformationally Defined Rexinoids and Their Efficacy in the Prevention of Mammary Cancers.
J.Med.Chem., 58, 2015
4B3V
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BU of 4b3v by Molmil
Crystal structure of the Rubella virus glycoprotein E1 in its post-fusion form crystallized in presence of 20mM of Calcium Acetate
Descriptor: 2-acetamido-2-deoxy-beta-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ...
Authors:Vaney, M.C, DuBois, R.M, Tortorici, M.A, Rey, F.A.
Deposit date:2012-07-26
Release date:2013-01-09
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Functional and Evolutionary Insight from the Crystal Structure of Rubella Virus Protein E1.
Nature, 493, 2013
6NAN
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BU of 6nan by Molmil
NMR structure determination of Ixolaris and Factor X interaction reveals a noncanonical mechanism of Kunitz inhibition
Descriptor: Ixolaris
Authors:De Paula, V.S, Sgourakis, N.G, Francischetti, I.M.B, Almeida, F.C.L, Monteiro, R.Q, Valente, A.P.
Deposit date:2018-12-06
Release date:2019-06-12
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:NMR structure determination of Ixolaris and factor X(a) interaction reveals a noncanonical mechanism of Kunitz inhibition.
Blood, 134, 2019
1MRB
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BU of 1mrb by Molmil
THREE-DIMENSIONAL STRUCTURE OF RABBIT LIVER CD7 METALLOTHIONEIN-2A IN AQUEOUS SOLUTION DETERMINED BY NUCLEAR MAGNETIC RESONANCE
Descriptor: CADMIUM ION, CD7 METALLOTHIONEIN-2A
Authors:Braun, W, Arseniev, A, Schultze, P, Woergoetter, E, Wagner, G, Vasak, M, Kaegi, J.H.R, Wuthrich, K.
Deposit date:1990-05-14
Release date:1991-04-15
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Three-dimensional structure of rabbit liver [Cd7]metallothionein-2a in aqueous solution determined by nuclear magnetic resonance.
J.Mol.Biol., 201, 1988
4RMD
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BU of 4rmd by Molmil
Crystal structure of human Retinoid X receptor alpha ligand binding domain complex with 9cUAB110 and coactivator peptide GRIP-1
Descriptor: (2E,4E,6Z,8E)-8-[3-cyclopropyl-2-(3-methylbutyl)cyclohex-2-en-1-ylidene]-3,7-dimethylocta-2,4,6-trienoic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha
Authors:Xia, G, Muccio, D.D.
Deposit date:2014-10-21
Release date:2015-09-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Conformationally Defined Rexinoids and Their Efficacy in the Prevention of Mammary Cancers.
J.Med.Chem., 58, 2015
4RMC
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BU of 4rmc by Molmil
Crystal Structure of human retinoid X receptor alpha-ligand binding domain complex with 9cUAB76 and the coactivator peptide GRIP-1
Descriptor: (3S,7S,8E)-8-[3-ethyl-2-(3-methylbutyl)cyclohex-2-en-1-ylidene]-3,7-dimethyloctanoic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha
Authors:Xia, G, Muccio, D.D.
Deposit date:2014-10-21
Release date:2015-09-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Conformationally Defined Rexinoids and Their Efficacy in the Prevention of Mammary Cancers.
J.Med.Chem., 58, 2015
5L8S
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BU of 5l8s by Molmil
The crystal structure of a cold-adapted acylaminoacyl peptidase reveals a novel quaternary architecture based on the arm-exchange mechanism
Descriptor: Amino acyl peptidase, SULFATE ION
Authors:Brocca, S, Ferrari, C, Barbiroli, A, Pesce, A, Lotti, M, Nardini, M.
Deposit date:2016-06-08
Release date:2016-11-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A bacterial acyl aminoacyl peptidase couples flexibility and stability as a result of cold adaptation.
FEBS J., 283, 2016
7Y80
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BU of 7y80 by Molmil
CryoEM structure of type III-E CRISPR Craspase gRAMP-crRNA binary complex
Descriptor: MAGNESIUM ION, RAMP superfamily protein, ZINC ION, ...
Authors:Zhang, J.T, Cui, N, Huang, H.D, Jia, N.
Deposit date:2022-06-22
Release date:2022-12-14
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (2.71 Å)
Cite:Structural basis for the non-self RNA-activated protease activity of the type III-E CRISPR nuclease-protease Craspase.
Nat Commun, 13, 2022
5D6F
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BU of 5d6f by Molmil
Structure of human methionine aminopeptidase-2 complexed with spiroepoxytriazole inhibitor (+)-31b
Descriptor: (4S,7R)-7-hydroxy-1-(4-methoxybenzyl)-7-methyl-4,5,6,7-tetrahydro-1H-benzotriazol-4-yl propan-2-ylcarbamate, 1,2-ETHANEDIOL, COBALT (II) ION, ...
Authors:Janowski, R, Miller, A.K, Niessing, D.
Deposit date:2015-08-12
Release date:2016-01-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Spiroepoxytriazoles Are Fumagillin-like Irreversible Inhibitors of MetAP2 with Potent Cellular Activity.
Acs Chem.Biol., 11, 2016
1BF4
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BU of 1bf4 by Molmil
CHROMOSOMAL DNA-BINDING PROTEIN SSO7D/D(GCGAACGC) COMPLEX
Descriptor: DNA (5'-D(*GP*CP*GP*AP*AP*CP*GP*C)-3'), DNA (5'-D(*GP*CP*GP*TP*5IUP*CP*GP*C)-3'), PROTEIN (CHROMOSOMAL PROTEIN SSO7D)
Authors:Su, S, Gao, Y.-G, Robinson, H, Padmanabhan, S, Lim, L, Shriver, J.W, Wang, A.H.-J.
Deposit date:1998-05-27
Release date:1999-11-10
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The crystal structure of the hyperthermophile chromosomal protein Sso7d bound to DNA.
Nat.Struct.Biol., 5, 1998

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